Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T80276 | Target Info | |||
| Target Name | PI3-kinase alpha (PIK3CA) | ||||
| Synonyms | p110alpha; Serine/threonine protein kinase PIK3CA; PtdIns3kinase subunit p110alpha; PtdIns3kinase subunit alpha; PtdIns-3-kinase subunit p110-alpha; PtdIns-3-kinase subunit alpha; Phosphoinositide3kinase catalytic alpha polypeptide; Phosphoinositide-3-kinase catalytic alpha polypeptide; Phosphatidylinositol 4,5bisphosphate 3kinase catalytic subunit alpha isoform; Phosphatidylinositol 4,5bisphosphate 3kinase 110 kDa catalytic subunit alpha; Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform; Phosphatidylinositol 4,5-bisphosphate 3-kinase 110 kDa catalytic subunit alpha; PI3kinase subunit alpha; PI3Kalpha; PI3K-alpha; PI3-kinase subunit alpha | ||||
| Target Type | Successful Target | ||||
| Gene Name | PIK3CA | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | L-serine-O-phosphate | Ligand Info | |||
| Canonical SMILES | C(C(C(=O)O)N)OP(=O)(O)O | ||||
| InChI | 1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1 | ||||
| InChIKey | BZQFBWGGLXLEPQ-REOHCLBHSA-N | ||||
| PubChem Compound ID | 68841 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 5SWG Crystal Structure of PI3Kalpha in complex with fragments 5 and 21 | ||||||
| Method | X-ray diffraction | Resolution | 3.11 Å | Mutation | No | [1] |
| PDB Sequence |
SYYHHHHHHD
-17 YDIPMPPRPS6 SGELWGIHLM16 PPRILVECLL26 PNGMIVTLEC36 LREATLITIK 46 HELFKEARKY56 PLHQLLQDES66 SYIFVSVTQE76 AEREEFFDET86 RRLCDLRLFQ 96 PFLKVIEPVG106 NREEKILNRE116 IGFAIGMPVC126 EFDMVKDPEV136 QDFRRNILNV 146 CKEAVDLRDL156 NSPHSRAMYV166 YPPNVESSPE176 LPKHIYNKLD186 KGQIIVVIWV 196 IVSPNNDKQK206 YTLKINHDCV216 PEQVIAEAIR226 KKTRSMLLSS236 EQLKLCVLEY 246 QGKYILKVCG256 CDEYFLEKYP266 LSQYKYIRSC276 IMLGRMPNLM286 LMAKESLYSQ 296 LPMDCFTMPS306 YSTSTKSLWV329 INSALRIKIL339 CATYVNVNIR349 DIDKIYVRTG 359 IYHGGEPLCD369 NVNTQRVPCS379 NPRWNEWLNY389 DIYIPDLPRA399 ARLCLSICSV 409 EEHCPLAWGN426 INLFDYTDTL436 VSGKMALNLW446 PVPHGLEDLL456 NPIGVTGSNP 466 NKETPCLELE476 FDWFSSVVKF486 PDMSVIEEHA496 NWSVSREAGF506 SYSHAGLSND 520 NELRENDKEQ530 LKAISTRDPL540 SEITEQEKDF550 LWSHRHYCVT560 IPEILPKLLL 570 SVKWNSRDEV580 AQMYCLVKDW590 PPIKPEQAME600 LLDCNYPDPM610 VRGFAVRCLE 620 KYLTDDKLSQ630 YLIQLVQVLK640 YEQYLDNLLV650 RFLLKKALTN660 QRIGHFFFWH 670 LKSEMHNKTV680 SQRFGLLLES690 YCRACGMYLK700 HLNRQVEAME710 KLINLTDILK 720 QEKKDETQKV730 QMKFLVEQMR740 RPDFMDALQG750 FLSPLNPAHQ760 LGNLRLEECR 770 IMSSAKRPLW780 LNWENPDIME791 LLFQNNEIIF801 KNGDDLRQDM811 LTLQIIRIME 821 NIWQNQGLDL831 RMLPYGCLSI841 GDCVGLIEVV851 RNSHTIMQIQ861 CKGGLKGALQ 871 FNSHTLHQWL881 KDKNKGEIYD891 AAIDLFTRSC901 AGYCVATFIL911 GIGDRHNSNI 921 MVKDDGQLFH931 IDFGHFLDHK941 KKKFGYKRER951 VPFVLTQDFL961 IVISKGAQEC 971 TKTREFERFQ981 EMCYKAYLAI991 RQHANLFINL1001 FSMMLGSGMP1011 ELQSFDDIAY 1021 IRKTLALDKT1031 EQEALEYFMK1041 QMNDAHHGGW1051 T
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| PDB ID: 5SW8 Crystal structure of PI3Kalpha in complex with fragments 7 and 11 | ||||||
| Method | X-ray diffraction | Resolution | 3.30 Å | Mutation | No | [1] |
| PDB Sequence |
SYYHHHHHHD
-17 YDIPMPPRPS6 SGELWGIHLM16 PPRILVECLL26 PNGMIVTLEC36 LREATLITIK 46 HELFKEARKY56 PLHQLLQDES66 SYIFVSVTQE76 AEREEFFDET86 RRLCDLRLFQ 96 PFLKVIEPVG106 NREEKILNRE116 IGFAIGMPVC126 EFDMVKDPEV136 QDFRRNILNV 146 CKEAVDLRDL156 NSPHSRAMYV166 YPPNVESSPE176 LPKHIYNKLD186 KGQIIVVIWV 196 IVSPNNDKQK206 YTLKINHDCV216 PEQVIAEAIR226 KKTRSMLLSS236 EQLKLCVLEY 246 QGKYILKVCG256 CDEYFLEKYP266 LSQYKYIRSC276 IMLGRMPNLM286 LMAKESLYSQ 296 LPMDCFTMPS306 YSRETSTKSL327 WVINSALRIK337 ILCATYVNVI348 RDIDKIYVRT 358 GIYHGGEPLC368 DNVNTQRVPC378 SNWNEWLNYD390 IYIPDLPRAA400 RLCLSICSVC 420 PLAWGNINLF430 DYTDTLVSGK440 MALNLWPVPH450 GLEDLLNPIG460 VTGSNPNKET 470 PCLELEFDWF480 SSVVKFPDMS490 VIEEHANWSV500 SREAGFSYSH510 AGNELRENDK 528 EQLKAISTRD538 PLSEITEQEK548 DFLWSHRHYC558 VTIPEILPKL568 LLSVKWNSRD 578 EVAQMYCLVK588 DWPPIKPEQA598 MELLDCNYPD608 PMVRGFAVRC618 LEKYLTDDKL 628 SQYLIQLVQV638 LKYEQYLDNL648 LVRFLLKKAL658 TNQRIGHFFF668 WHLKSEMHNK 678 TVSQRFGLLL688 ESYCRACGMY698 LKHLNRQVEA708 MEKLINLTDI718 LKQEKKDETQ 728 KVQMKFLVEQ738 MRRPDFMDAL748 QGFLSPLNPA758 HQLGNLRLEE768 CRIMSSAKRP 778 LWLNWENPDI788 MELLFQNNEI799 IFKNGDDLRQ809 DMLTLQIIRI819 MENIWQNQGL 829 DLRMLPYGCL839 SIGDCVGLIE849 VVRNSHTIMQ859 IQCKGGLKGA869 LQFNSHTLHQ 879 WLKDKNKGEI889 YDAAIDLFTR899 SCAGYCVATF909 ILGIGDRHNS919 NIMVKDDGQL 929 FHIDFGHFLD939 HKKKKRERVP953 FVLTQDFLIV963 ISKGAQECTK973 TREFERFQEM 983 CYKAYLAIRQ993 HANLFINLFS1003 MMLGSGMPEL1013 QSFDDIAYIR1023 KTLALDKTEQ 1033 EALEYFMKQM1043 NDAHHGGWTT1053
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||||||
| PDB ID: 5SXB Crystal Structure of PI3Kalpha in complex with fragment 23 | ||||||
| Method | X-ray diffraction | Resolution | 3.30 Å | Mutation | No | [1] |
| PDB Sequence |
SYYHHHHHHD
-17 YDIPTYFQGA-3 SMPPRPSGEL10 WGIHLMPPRI20 LVECLLPNGM30 IVTLECLREA 40 TLITIKHELF50 KEARKYPLHQ60 LLQDESSYIF70 VSVTQEAERE80 EFFDETRRLC 90 DLRLFQPFLK100 VIEPVGNREE110 KILNREIGFA120 IGMPVCEFDM130 VKDPEVQDFR 140 RNILNVCKEA150 VDLRDLNSPH160 SRAMYVYPPN170 VESSPELPKH180 IYNKLDKGQI 190 IVVIWVIVSP200 NNDKQKYTLK210 INHDCVPEQV220 IAEAIRKKTR230 SMLLSSEQLK 240 LCVLEYQGKY250 ILKVCGCDEY260 FLEKYPLSQY270 KYIRSCIMLG280 RMPNLMLMAK 290 ESLYSQLPMD300 CFTMPSYSGE321 TSTKSLWVIN331 SALRIKILCA341 TYVNVNIRDI 351 DKIYVRTGIY361 HGGEPLCDNV371 NTQRVPCSNP381 RWNEWLNYDI391 YIPDLPRAAR 401 LCLSICSVEE418 HCPLAWGNIN428 LFDYTDTLVS438 GKMALNLWPV448 PHGLEDLLNP 458 IGVTGSNPNK468 ETPCLELEFD478 WFSSVVKFPD488 MSVIEEHANW498 SVSREAGFSY 508 SHAGLSNRLA518 RDNELRENDK528 EQLKAISTRD538 PLSEITEQEK548 DFLWSHRHYC 558 VTIPEILPKL568 LLSVKWNSRD578 EVAQMYCLVK588 DWPPIKPEQA598 MELLDCNYPD 608 PMVRGFAVRC618 LEKYLTDDKL628 SQYLIQLVQV638 LKYEQYLDNL648 LVRFLLKKAL 658 TNQRIGHFFF668 WHLKSEMHNK678 TVSQRFGLLL688 ESYCRACGMY698 LKHLNRQVEA 708 MEKLINLTDI718 LKQEKKDETQ728 KVQMKFLVEQ738 MRRPDFMDAL748 QGFLSPLNPA 758 HQLGNLRLEE768 CRIMSSAKRP778 LWLNWENPDI788 MELLFQNNEI799 IFKNGDDLRQ 809 DMLTLQIIRI819 MENIWQNQGL829 DLRMLPYGCL839 SIGDCVGLIE849 VVRNSHTIMQ 859 IQCKGGLKGA869 LQFNSHTLHQ879 WLKDKNKGEI889 YDAAIDLFTR899 SCAGYCVATF 909 ILGIGDRHNS919 NIMVKDDGQL929 FHIDFGHFLD939 HKKKKFGKRE950 RVPFVLTQDF 960 LIVISKGAQE970 CTKTREFERF980 QEMCYKAYLA990 IRQHANLFIN1000 LFSMMLGSGM 1010 PELQSFDDIA1020 YIRKTLALDK1030 TEQEALEYFM1040 KQMNDAHHGG1050 WTTKMD |
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PRO5
3.844
SER6
1.329
GLY8
1.329
GLU9
4.590
LEU10
4.623
TRP11
4.324
GLY12
3.800
ILE13
4.126
HIS14
3.519
GLN75
3.745
GLY256
4.422
|
|||||
| PDB ID: 5SWR Crystal Structure of PI3Kalpha in complex with fragments 20 and 26 | ||||||
| Method | X-ray diffraction | Resolution | 3.31 Å | Mutation | No | [1] |
| PDB Sequence |
SYYHHHHHHD
-17 YDIPQGAMGS0 MPPRPSGELW11 GIHLMPPRIL21 VECLLPNGMI31 VTLECLREAT 41 LITIKHELFK51 EARKYPLHQL61 LQDESSYIFV71 SVTQEAEREE81 FFDETRRLCD 91 LRLFQPFLKV101 IEPVGNREEK111 ILNREIGFAI121 GMPVCEFDMV131 KDPEVQDFRR 141 NILNVCKEAV151 DLRDLNSPHS161 RAMYVYPPNV171 ESSPELPKHI181 YNKLDKGQII 191 VVIWVIVSPN201 NDKQKYTLKI211 NHDCVPEQVI221 AEAIRKKTRS231 MLLSSEQLKL 241 CVLEYQGKYI251 LKVCGCDEYF261 LEKYPLSQYK271 YIRSCIMLGR281 MPNLMLMAKE 291 SLYSQLPMDC301 FTMPSYSETS323 TKSLWVINSA333 LRIKILCATY343 VNVNIRDIDK 353 IYVRTGIYHG363 GEPLCDNVNT373 QRVPCSNPRW383 NEWLNYDIYI393 PDLPRAARLC 403 LSICSVEEHC420 PLAWGNINLF430 DYTDTLVSGK440 MALNLWPVPH450 GLEDLLNPIG 460 VTGSNPNKET470 PCLELEFDWF480 SSVVKFPDMS490 VIEEHANWSV500 SREAGFSYSH 510 AGLSNRLARD520 NELRENDKEQ530 LKAISTRDPL540 SEITEQEKDF550 LWSHRHYCVT 560 IPEILPKLLL570 SVKWNSRDEV580 AQMYCLVKDW590 PPIKPEQAME600 LLDCNYPDPM 610 VRGFAVRCLE620 KYLTDDKLSQ630 YLIQLVQVLK640 YEQYLDNLLV650 RFLLKKALTN 660 QRIGHFFFWH670 LKSEMHNKTV680 SQRFGLLLES690 YCRACGMYLK700 HLNRQVEAME 710 KLINLTDILK720 QEKKDETQKV730 QMKFLVEQMR740 RPDFMDALQG750 FLSPLNPAHQ 760 LGNLRLEECR770 IMSSAKRPLW780 LNWENPDIME791 LLFQNNEIIF801 KNGDDLRQDM 811 LTLQIIRIME821 NIWQNQGLDL831 RMLPYGCLSI841 GDCVGLIEVV851 RNSHTIMQIQ 861 CKGGLKGALQ871 FNSHTLHQWL881 KDKNKGEIYD891 AAIDLFTRSC901 AGYCVATFIL 911 GIGDRHNSNI921 MVKDDGQLFH931 IDFGHFLDHK941 KKKFGYKRER951 VPFVLTQDFL 961 IVISKGAQEC971 TKTREFERFQ981 EMCYKAYLAI991 RQHANLFINL1001 FSMMLGSGMP 1011 ELQSFDDIAY1021 IRKTLALDKT1031 EQEALEYFMK1041 QMNDAHHGGW1051 T |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:5 or .A:6 or .A:8 or .A:9 or .A:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:75 or .A:256 or .A:714 or .A:785 or .A:786 or .A:787 or .A:788 or .A:789 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PRO5
4.513
SER6
1.335
GLY8
1.332
GLU9
4.535
LEU10
4.598
TRP11
4.595
GLY12
3.536
ILE13
4.092
HIS14
3.349
GLN75
3.906
GLY256
4.584
|
|||||
| PDB ID: 5SXA Crystal Structure of PI3Kalpha in complex with fragment 10 | ||||||
| Method | X-ray diffraction | Resolution | 3.35 Å | Mutation | No | [1] |
| PDB Sequence |
SYYHHHHHHD
-17 YDIPTTLYQG-4 PRGELWGIHL15 MPPRILVECL25 LPNGMIVTLE35 CLREATLITI 45 KHELFKEARK55 YPLHQLLQDE65 SSYIFVSVTQ75 EAEREEFFDE85 TRRLCDLRLF 95 QPFLKVIEPV105 GNREEKILNR115 EIGFAIGMPV125 CEFDMVKDPE135 VQDFRRNILN 145 VCKEAVDLRD155 LNPHSRAMYV166 YPPNVESSPE176 LPKHIYNKLD186 KGQIIVVIWV 196 IVSPNNDKQK206 YTLKINHDCV216 PEQVIAEAIR226 KKTRSMLLSS236 EQLKLCVLEY 246 QGKYILKVCG256 CDEYFLEKYP266 LSQYKYIRSC276 IMLGRMPNLM286 LMAKESLYSQ 296 LPMDCFTMPS306 YSYMNGETST324 KSLWVINSAL334 RIKILCATYV344 NVNIRDIDKI 354 YVRTGIYHGG364 EPLCDNVNTQ374 RVPCSNPRWN384 EWLNYDIYIP394 DLPRAARLCL 404 SICSVEHCPL422 AWGNINLFDY432 TDTLVSGKMA442 LNLWPVPHGL452 EDLLNPIGVT 462 GSNPNKETPC472 LELEFDWFSS482 VVKFPDMSVI492 EEHANWSVSR502 EAGFSYSHAG 512 LSNRDNELRE525 NDKEQLKAIS535 TRDPLSEITE545 QEKDFLWSHR555 HYCVTIPEIL 565 PKLLLSVKWN575 SRDEVAQMYC585 LVKDWPPIKP595 EQAMELLDCN605 YPDPMVRGFA 615 VRCLEKYLTD625 DKLSQYLIQL635 VQVLKYEQYL645 DNLLVRFLLK655 KALTNQRIGH 665 FFFWHLKSEM675 HNKTVSQRFG685 LLLESYCRAC695 GMYLKHLNRQ705 VEAMEKLINL 715 TDILKQEKKD725 ETQKVQMKFL735 VEQMRRPDFM745 DALQGFLSPL755 NPAHQLGNLR 765 LEECRIMSSA775 KRPLWLNWEN785 PDIMELLFQN796 NEIIFKNGDD806 LRQDMLTLQI 816 IRIMENIWQN826 QGLDLRMLPY836 GCLSIGDCVG846 LIEVVRNSHT856 IMQIQCKGGL 866 KGALQFNSHT876 LHQWLKDKNK886 GEIYDAAIDL896 FTRSCAGYCV906 ATFILGIGDR 916 HNSNIMVKDD926 GQLFHIDFGH936 FLDHKKKKFR949 ERVPFVLTQD959 FLIVISKGAQ 969 ECTKTREFER979 FQEMCYKAYL989 AIRQHANLFI999 NLFSMMLGSG1009 MPELQSFDDI 1019 AYIRKTLALD1029 KTEQEALEYF1039 MKQMNDAHHG1049 GWTTKMDWI
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:8 or .A:9 or .A:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:75 or .A:154 or .A:155 or .A:156 or .A:157 or .A:159 or .A:160 or .A:161 or .A:162 or .A:256 or .A:299 or .A:714 or .A:785 or .A:786 or .A:787 or .A:788 or .A:789 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY8
1.335
GLU9
4.542
LEU10
4.461
TRP11
3.836
GLY12
3.550
ILE13
3.767
HIS14
4.278
GLN75
3.430
ARG154
4.613
ASP155
3.143
LEU156
3.552
ASN157
1.332
PRO159
1.335
HIS160
3.302
SER161
3.449
|
|||||
| PDB ID: 5SXI Crystal Structure of PI3Kalpha in complex with fragment 13 | ||||||
| Method | X-ray diffraction | Resolution | 3.40 Å | Mutation | No | [1] |
| PDB Sequence |
SYYHHHHHHD
-17 YDIPPSGELW11 GIHLMPPRIL21 VECLLPNGMI31 VTLECLREAT41 LITIKHELFK 51 EARKYPLHQL61 LQDESSYIFV71 SVTQEAEREE81 FFDETRRLCD91 LRLFQPFLKV 101 IEPVGNREEK111 ILNREIGFAI121 GMPVCEFDMV131 KDPEVQDFRR141 NILNVCKEAV 151 DLRDLNSPHS161 RAMYVYPPNV171 ESSPELPKHI181 YNKLDKGQII191 VVIWVIVSPN 201 NDKQKYTLKI211 NHDCVPEQVI221 AEAIRKKTRS231 MLLSSEQLKL241 CVLEYQGKYI 251 LKVCGCDEYF261 LEKYPLSQYK271 YIRSCIMLGR281 MPNLMLMAKE291 SLYSQLPMDC 301 FTMPSYSSTK325 SLWVINSALR335 IKILCATYVN345 VNIRDIDKIY355 VRTGIYHGGE 365 PLCDNVNTQR375 VPCSNPRWNE385 WLNYDIYIPD395 LPRAARLCLS405 ICSVEEHCPL 422 AWGNINLFDY432 TDTLVSGKMA442 LNLWPVPHGL452 EDLLNPIGVT462 GSNPNKETPC 472 LELEFDWFSS482 VVKFPDMSVI492 EEHANWSVSR502 EAGFSYSHAG512 LSNRLARDNE 522 LRENDKEQLK532 AISTRDPLSE542 ITEQEKDFLW552 SHRHYCVTIP562 EILPKLLLSV 572 KWNSRDEVAQ582 MYCLVKDWPP592 IKPEQAMELL602 DCNYPDPMVR612 GFAVRCLEKY 622 LTDDKLSQYL632 IQLVQVLKYE642 QYLDNLLVRF652 LLKKALTNQR662 IGHFFFWHLK 672 SEMHNKTVSQ682 RFGLLLESYC692 RACGMYLKHL702 NRQVEAMEKL712 INLTDILKQE 722 KKDETQKVQM732 KFLVEQMRRP742 DFMDALQGFL752 SPLNPAHQLG762 NLRLEECRIM 772 SSAKRPLWLN782 WENPDIMELL793 FQNNEIIFKN803 GDDLRQDMLT813 LQIIRIMENI 823 WQNQGLDLRM833 LPYGCLSIGD843 CVGLIEVVRN853 SHTIMQIQCK863 GGLKGALQFN 873 SHTLHQWLKD883 KNKGEIYDAA893 IDLFTRSCAG903 YCVATFILGI913 GDRHNSNIMV 923 KDDGQLFHID933 FGHFLDHKKK943 KKRERVPFVL956 TQDFLIVISK966 GAQECTKTRE 976 FERFQEMCYK986 AYLAIRQHAN996 LFINLFSMML1006 GSGMPELQSF1016 DDIAYIRKTL 1026 ALDKTEQEAL1036 EYFMKQMNDA1046 HHGGWTTKMD1056
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|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:5 or .A:6 or .A:8 or .A:9 or .A:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:75 or .A:256 or .A:714 or .A:785 or .A:786 or .A:787 or .A:788 or .A:789 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PRO5
2.886
SER6
1.330
GLY8
1.328
GLU9
4.534
LEU10
4.294
TRP11
4.099
GLY12
3.945
ILE13
3.867
HIS14
3.931
GLN75
3.877
GLY256
4.467
|
|||||
| PDB ID: 5SWP Crystal Structure of PI3Kalpha in complex with fragments 6 and 24 | ||||||
| Method | X-ray diffraction | Resolution | 3.41 Å | Mutation | No | [1] |
| PDB Sequence |
SYYHHHHHHD
-17 YDIPTTFQGA-3 MGSMPPRPSG8 ELWGIHLMPP18 RILVECLLPN28 GMIVTLECLR 38 EATLITIKHE48 LFKEARKYPL58 HQLLQDESSY68 IFVSVTQEAE78 REEFFDETRR 88 LCDLRLFQPF98 LKVIEPVGNR108 EEKILNREIG118 FAIGMPVCEF128 DMVKDPEVQD 138 FRRNILNVCK148 EAVDLRDLNS158 PHSRAMYVYP168 PNVESSPELP178 KHIYNKLDKG 188 QIIVVIWVIV198 SPNNDKQKYT208 LKINHDCVPE218 QVIAEAIRKK228 TRSMLLSSEQ 238 LKLCVLEYQG248 KYILKVCGCD258 EYFLEKYPLS268 QYKYIRSCIM278 LGRMPNLMLM 288 AKESLYSQLP298 MDCFTMPSYS308 NGETSTKSLW328 VINSALRIKI338 LCATYVNVNI 348 RDIDKIYVRT358 GIYHGGEPLC368 DNVNTQRVPC378 SNPRWNEWLN388 YDIYIPDLPR 398 AARLCLSICS408 VEEHCPLAWG425 NINLFDYTDT435 LVSGKMALNL445 WPVPHGLEDL 455 LNPIGVTGSN465 PNKETPCLEL475 EFDWFSSVVK485 FPDMSVIEEH495 ANWSVSREAG 505 FSYSHAGLSN515 RLARDNELRE525 NDKEQLKAIS535 TRDPLSEITE545 QEKDFLWSHR 555 HYCVTIPEIL565 PKLLLSVKWN575 SRDEVAQMYC585 LVKDWPPIKP595 EQAMELLDCN 605 YPDPMVRGFA615 VRCLEKYLTD625 DKLSQYLIQL635 VQVLKYEQYL645 DNLLVRFLLK 655 KALTNQRIGH665 FFFWHLKSEM675 HNKTVSQRFG685 LLLESYCRAC695 GMYLKHLNRQ 705 VEAMEKLINL715 TDILKQEKKD725 ETQKVQMKFL735 VEQMRRPDFM745 DALQGFLSPL 755 NPAHQLGNLR765 LEECRIMSSA775 KRPLWLNWEN785 PDIMELLFQN796 NEIIFKNGDD 806 LRQDMLTLQI816 IRIMENIWQN826 QGLDLRMLPY836 GCLSIGDCVG846 LIEVVRNSHT 856 IMQIQCKGGL866 KGALQFNSHT876 LHQWLKDKNK886 GEIYDAAIDL896 FTRSCAGYCV 906 ATFILGIGDR916 HNSNIMVKDD926 GQLFHIDFGH936 FLDHKKKKFG946 YKRERVPFVL 956 TQDFLIVISK966 GAQECTKTRE976 FERFQEMCYK986 AYLAIRQHAN996 LFINLFSMML 1006 GSGMPELQSF1016 DDIAYIRKTL1026 ALDKTEQEAL1036 EYFMKQMNDA1046 HHGGWTTK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:5 or .A:6 or .A:8 or .A:9 or .A:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:75 or .A:256 or .A:714 or .A:785 or .A:786 or .A:787 or .A:788 or .A:789 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PRO5
4.689
SER6
1.335
GLY8
1.332
GLU9
4.540
LEU10
3.984
TRP11
4.285
GLY12
3.072
ILE13
2.953
HIS14
3.179
GLN75
3.565
GLY256
4.698
|
|||||
| PDB ID: 5SXJ Crystal Structure of PI3Kalpha in complex with fragment 29 | ||||||
| Method | X-ray diffraction | Resolution | 3.42 Å | Mutation | No | [1] |
| PDB Sequence |
SYYHHHHHHD
-17 YDIPTTQGAM-2 PRSGELWGIH14 LMPPRILVEC24 LLPNGMIVTL34 ECLREATLIT 44 IKHELFKEAR54 KYPLHQLLQD64 ESSYIFVSVT74 QEAEREEFFD84 ETRRLCDLRL 94 FQPFLKVIEP104 VGNREEKILN114 REIGFAIGMP124 VCEFDMVKDP134 EVQDFRRNIL 144 NVCKEAVDLR154 DLNPHSRAMY165 VYPPNVESSP175 ELPKHIYNKL185 DKGQIIVVIW 195 VIVSPNNDKQ205 KYTLKINHDC215 VPEQVIAEAI225 RKKTRSMLLS235 SEQLKLCVLE 245 YQGKYILKVC255 GCDEYFLEKY265 PLSQYKYIRS275 CIMLGRMPNL285 MLMAKESLYS 295 QLPMDCFTMP305 SYSPYMNGET322 STKSLWVINS332 ALRIKILCAT342 YVNVNIRDID 352 KIYVRTGIYH362 GGEPLCDNVN372 TQRVPCSNPR382 WNEWLNYDIY392 IPDLPRAARL 402 CLSICSVCPL422 AWGNINLFDY432 TDTLVSGKMA442 LNLWPVPHGL452 EDLLNPIGVT 462 GSNPNKETPC472 LELEFDWFSS482 VVKFPDMSVI492 EEHANWSVSR502 EAGFSYSHAG 512 LSNRNELREN526 DKEQLKAIST536 RDPLSEITEQ546 EKDFLWSHRH556 YCVTIPEILP 566 KLLLSVKWNS576 RDEVAQMYCL586 VKDWPPIKPE596 QAMELLDCNY606 PDPMVRGFAV 616 RCLEKYLTDD626 KLSQYLIQLV636 QVLKYEQYLD646 NLLVRFLLKK656 ALTNQRIGHF 666 FFWHLKSEMH676 NKTVSQRFGL686 LLESYCRACG696 MYLKHLNRQV706 EAMEKLINLT 716 DILKQEKKDE726 TQKVQMKFLV736 EQMRRPDFMD746 ALQGFLSPLN756 PAHQLGNLRL 766 EECRIMSSAK776 RPLWLNWENP786 DIMELLFQNN797 EIIFKNGDDL807 RQDMLTLQII 817 RIMENIWQNQ827 GLDLRMLPYG837 CLSIGDCVGL847 IEVVRNSHTI857 MQIQCKGGLL 870 QFNSHTLHQW880 LKDKNKGEIY890 DAAIDLFTRS900 CAGYCVATFI910 LGIGDRHNSN 920 IMVKDDGQLF930 HIDFGHFLDH940 KKKKFKRERV952 PFVLTQDFLI962 VISKGAQECT 972 KTREFERFQE982 MCYKAYLAIR992 QHANLFINLF1002 SMMLGSGMPE1012 LQSFDDIAYI 1022 RKTLALDKTE1032 QEALEYFMKQ1042 MNDAHHGGW
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:6 or .A:8 or .A:9 or .A:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:75 or .A:154 or .A:155 or .A:156 or .A:157 or .A:159 or .A:160 or .A:161 or .A:162 or .A:256 or .A:299 or .A:714 or .A:785 or .A:786 or .A:787 or .A:788 or .A:789 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
SER6
1.336
GLY8
1.332
GLU9
4.534
LEU10
3.337
TRP11
3.992
GLY12
3.111
ILE13
3.504
HIS14
3.848
GLN75
3.104
ARG154
4.467
ASP155
2.843
LEU156
3.471
ASN157
1.331
PRO159
1.335
HIS160
3.360
|
|||||
| PDB ID: 5SXF Crystal Structure of PI3Kalpha in complex with fragment 9 | ||||||
| Method | X-ray diffraction | Resolution | 3.46 Å | Mutation | No | [1] |
| PDB Sequence |
SYYHHHHHHD
-17 YDIPGAMRPS6 SGELWGIHLM16 PPRILVECLL26 PNGMIVTLEC36 LREATLITIK 46 HELFKEARKY56 PLHQLLQDES66 SYIFVSVTQE76 AEREEFFDET86 RRLCDLRLFQ 96 PFLKVIEPVG106 NREEKILNRE116 IGFAIGMPVC126 EFDMVKDPEV136 QDFRRNILNV 146 CKEAVDLRDL156 NSPHSRAMYV166 YPPNVESSPE176 LPKHIYNKLD186 KGQIIVVIWV 196 IVPNNDKQKY207 TLKINHDCVP217 EQVIAEAIRK227 KTRSMLLSSE237 QLKLCVLEYQ 247 GKYILKVCGC257 DEYFLEKYPL267 SQYKYIRSCI277 MLGRMPNLML287 MAKESLYSQL 297 PMDCFTMPSY307 STKSLWVINS332 ALRIKILCAT342 YVNVNIRDID352 KIYVRTGIYH 362 GGEPLCDNVN372 TQRVPCSNPR382 WNEWLNYDIY392 IPDLPRAARL402 CLSICSVHCP 421 LAWGNINLFD431 YTDTLVSGKM441 ALNLWPVPHG451 LEDLLNPIGV461 TGSNPNKETP 471 CLELEFDWFS481 SVVKFPDMSV491 IEEHANWSVS501 REAGFSYSHA511 GLELRENDKE 529 QLKAISTRDP539 LSEITEQEKD549 FLWSHRHYCV559 TIPEILPKLL569 LSVKWNSRDE 579 VAQMYCLVKD589 WPPIKPEQAM599 ELLDCNYPDP609 MVRGFAVRCL619 EKYLTDDKLS 629 QYLIQLVQVL639 KYEQYLDNLL649 VRFLLKKALT659 NQRIGHFFFW669 HLKSEMHNKT 679 VSQRFGLLLE689 SYCRACGMYL699 KHLNRQVEAM709 EKLINLTDIL719 KQEKKDETQK 729 VQMKFLVEQM739 RRPDFMDALQ749 GFLSPLNPAH759 QLGNLRLEEC769 RIMSSAKRPL 779 WLNWENPDIM789 ELLFQNNEII800 FKNGDDLRQD810 MLTLQIIRIM820 ENIWQNQGLD 830 LRMLPYGCLS840 IGDCVGLIEV850 VRNSHTIMQI860 QCKGGLKFNS874 HTLHQWLKDK 884 NKGEIYDAAI894 DLFTRSCAGY904 CVATFILGIG914 DRHNSNIMVK924 DDGQLFHIDF 934 GHFLDHKKKK944 RERVPFVLTQ958 DFLIVISKGA968 QECTKTREFE978 RFQEMCYKAY 988 LAIRQHANLF998 INLFSMMLGS1008 GMPELQSFDD1018 IAYIRKTLAL1028 DKTEQEALEY 1038 FMKQMNDAHH1048 GGW
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:256 or .A:785 or .A:786 or .A:787 or .A:788 or .A:789 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 5SX8 Crystal Structure of PI3Kalpha in complex with fragments 12 and 15 | ||||||
| Method | X-ray diffraction | Resolution | 3.47 Å | Mutation | No | [1] |
| PDB Sequence |
SYYHHHHHHD
-17 YDIPTFQGAM-2 GPPRPSSGEL10 WGIHLMPPRI20 LVECLLPNGM30 IVTLECLREA 40 TLITIKHELF50 KEARKYPLHQ60 LLQDESSYIF70 VSVTQEAERE80 EFFDETRRLC 90 DLRLFQPFLK100 VIEPVGNREE110 KILNREIGFA120 IGMPVCEFDM130 VKDPEVQDFR 140 RNILNVCKEA150 VDLRDLNSPH160 SRAMYVYPPN170 VESSPELPKH180 IYNKLDKGQI 190 IVVIWVIVSP200 NNDKQKYTLK210 INHDCVPEQV220 IAEAIRKKTR230 SMLLSSEQLK 240 LCVLEYQGKY250 ILKVCGCDEY260 FLEKYPLSQY270 KYIRSCIMLG280 RMPNLMLMAK 290 ESLYSQLPMD300 CFTMPSYSNG320 ETSTKSLWVI330 NSALRIKILC340 ATYVNVNIRD 350 IDKIYVRTGI360 YHGGEPLCDN370 VNTQRVPCSN380 PRWNEWLNYD390 IYIPDLPRAA 400 RLCLSICSVE418 HCPLAWGNIN428 LFDYTDTLVS438 GKMALNLWPV448 PHGLEDLLNP 458 IGVTGSNPNK468 ETPCLELEFD478 WFSSVVKFPD488 MSVIEEHANW498 SVSREAGFSY 508 SHAGLSNRLA518 RDRENDKEQL531 KAISTRDPLS541 EITEQEKDFL551 WSHRHYCVTI 561 PEILPKLLLS571 VKWNSRDEVA581 QMYCLVKDWP591 PIKPEQAMEL601 LDCNYPDPMV 611 RGFAVRCLEK621 YLTDDKLSQY631 LIQLVQVLKY641 EQYLDNLLVR651 FLLKKALTNQ 661 RIGHFFFWHL671 KSEMHNKTVS681 QRFGLLLESY691 CRACGMYLKH701 LNRQVEAMEK 711 LINLTDILKQ721 EKKDETQKVQ731 MKFLVEQMRR741 PDFMDALQGF751 LSPLNPAHQL 761 GNLRLEECRI771 MSSAKRPLWL781 NWENPDIMEL792 LFQNNEIIFK802 NGDDLRQDML 812 TLQIIRIMEN822 IWQNQGLDLR832 MLPYGCLSIG842 DCVGLIEVVR852 NSHTIMQIQC 862 KGGLKGALQF872 NSHTLHQWLK882 DKNKGEIYDA892 AIDLFTRSCA902 GYCVATFILG 912 IGDRHNSNIM922 VKDDGQLFHI932 DFGHFLDHKK942 KKFGYKRERV952 PFVLTQDFLI 962 VISKGAQECT972 KTREFERFQE982 MCYKAYLAIR992 QHANLFINLF1002 SMMLGSGMPE 1012 LQSFDDIAYI1022 RKTLALDKTE1032 QEALEYFMKQ1042 MNDAHHGGWT1052 TK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:256 or .A:785 or .A:786 or .A:787 or .A:788 or .A:789 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 5SWT Crystal Structure of PI3Kalpha in complex with fragments 17 and 27 | ||||||
| Method | X-ray diffraction | Resolution | 3.49 Å | Mutation | No | [1] |
| PDB Sequence |
MSYYHHHHHH
-18 DYDIPTTFQG-4 AMGSMPPRPS6 GELWGIHLMP17 PRILVECLLP27 NGMIVTLECL 37 REATLITIKH47 ELFKEARKYP57 LHQLLQDESS67 YIFVSVTQEA77 EREEFFDETR 87 RLCDLRLFQP97 FLKVIEPVGN107 REEKILNREI117 GFAIGMPVCE127 FDMVKDPEVQ 137 DFRRNILNVC147 KEAVDLRDLN157 SPHSRAMYVY167 PPNVESSPEL177 PKHIYNKLDK 187 GQIIVVIWVI197 VSPNNDKQKY207 TLKINHDCVP217 EQVIAEAIRK227 KTRSMLLSSE 237 QLKLCVLEYQ247 GKYILKVCGC257 DEYFLEKYPL267 SQYKYIRSCI277 MLGRMPNLML 287 MAKESLYSQL297 PMDCFTMPSY307 SGETSTKSLW328 VINSALRIKI338 LCATYVNVNI 348 RDIDKIYVRT358 GIYHGGEPLC368 DNVNTQRVPC378 SNPRWNEWLN388 YDIYIPDLPR 398 AARLCLSICS408 VEEHCPLAWG425 NINLFDYTDT435 LVSGKMALNL445 WPVPHGLEDL 455 LNPIGVTGSN465 PNKETPCLEL475 EFDWFSSVVK485 FPDMSVIEEH495 ANWSVSREAG 505 FSYSHAGLSN515 RLARDNELRE525 NDKEQLKAIS535 TRDPLSEITE545 QEKDFLWSHR 555 HYCVTIPEIL565 PKLLLSVKWN575 SRDEVAQMYC585 LVKDWPPIKP595 EQAMELLDCN 605 YPDPMVRGFA615 VRCLEKYLTD625 DKLSQYLIQL635 VQVLKYEQYL645 DNLLVRFLLK 655 KALTNQRIGH665 FFFWHLKSEM675 HNKTVSQRFG685 LLLESYCRAC695 GMYLKHLNRQ 705 VEAMEKLINL715 TDILKQEKKD725 ETQKVQMKFL735 VEQMRRPDFM745 DALQGFLSPL 755 NPAHQLGNLR765 LEECRIMSSA775 KRPLWLNWEN785 PDIMELLFQN796 NEIIFKNGDD 806 LRQDMLTLQI816 IRIMENIWQN826 QGLDLRMLPY836 GCLSIGDCVG846 LIEVVRNSHT 856 IMQIQCKGGL866 KGALQFNSHT876 LHQWLKDKNK886 GEIYDAAIDL896 FTRSCAGYCV 906 ATFILGIGDR916 HNSNIMVKDD926 GQLFHIDFGH936 FLDHKKKKFG946 KRERVPFVLT 957 QDFLIVISKG967 AQECTKTREF977 ERFQEMCYKA987 YLAIRQHANL997 FINLFSMMLG 1007 SGMPELQSFD1017 DIAYIRKTLA1027 LDKTEQEALE1037 YFMKQMNDAH1047 HGGWTTK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:5 or .A:6 or .A:8 or .A:9 or .A:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:75 or .A:256 or .A:714 or .A:785 or .A:786 or .A:787 or .A:788 or .A:789 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PRO5
4.608
SER6
1.334
GLY8
1.332
GLU9
4.495
LEU10
4.127
TRP11
4.471
GLY12
3.195
ILE13
3.596
HIS14
3.123
GLN75
3.604
GLY256
4.614
|
|||||
| PDB ID: 5SWO Crystal Structure of PI3Kalpha in complex with fragments 4 and 19 | ||||||
| Method | X-ray diffraction | Resolution | 3.50 Å | Mutation | No | [1] |
| PDB Sequence |
SYYHHHHHHD
-17 YDIPTSMPPR4 PSSGELWGIH14 LMPPRILVEC24 LLPNGMIVTL34 ECLREATLIT 44 IKHELFKEAR54 KYPLHQLLQD64 ESSYIFVSVT74 QEAEREEFFD84 ETRRLCDLRL 94 FQPFLKVIEP104 VGNREEKILN114 REIGFAIGMP124 VCEFDMVKDP134 EVQDFRRNIL 144 NVCKEAVDLR154 DLNSPHSRAM164 YVYPPNVESS174 PELPKHIYNK184 LDKGQIIVVI 194 WVIVSPNNDK204 QKYTLKINHD214 CVPEQVIAEA224 IRKKTRSMLL234 SSEQLKLCVL 244 EYQGKYILKV254 CGCDEYFLEK264 YPLSQYKYIR274 SCIMLGRMPN284 LMLMAKESLY 294 SQLPMDCFTM304 PSYSNGETST324 KSLWVINSAL334 RIKILCATYV344 NVNIRDIDKI 354 YVRTGIYHGG364 EPLCDNVNTQ374 RVPCSNPRWN384 EWLNYDIYIP394 DLPRAARLCL 404 SICSVEEHCP421 LAWGNINLFD431 YTDTLVSGKM441 ALNLWPVPHG451 LEDLLNPIGV 461 TGSNPNKETP471 CLELEFDWFS481 SVVKFPDMSV491 IEEHANWSVS501 REAGFSYSHA 511 GLSNRLARDN521 ELRENDKEQL531 KAISTRDPLS541 EITEQEKDFL551 WSHRHYCVTI 561 PEILPKLLLS571 VKWNSRDEVA581 QMYCLVKDWP591 PIKPEQAMEL601 LDCNYPDPMV 611 RGFAVRCLEK621 YLTDDKLSQY631 LIQLVQVLKY641 EQYLDNLLVR651 FLLKKALTNQ 661 RIGHFFFWHL671 KSEMHNKTVS681 QRFGLLLESY691 CRACGMYLKH701 LNRQVEAMEK 711 LINLTDILKQ721 EKKDETQKVQ731 MKFLVEQMRR741 PDFMDALQGF751 LSPLNPAHQL 761 GNLRLEECRI771 MSSAKRPLWL781 NWENPDIMEL792 LFQNNEIIFK802 NGDDLRQDML 812 TLQIIRIMEN822 IWQNQGLDLR832 MLPYGCLSIG842 DCVGLIEVVR852 NSHTIMQIQC 862 KGGLKGALQF872 NSHTLHQWLK882 DKNKGEIYDA892 AIDLFTRSCA902 GYCVATFILG 912 IGDRHNSNIM922 VKDDGQLFHI932 DFGHFLDHKK942 KKFGYKRERV952 PFVLTQDFLI 962 VISKGAQECT972 KTREFERFQE982 MCYKAYLAIR992 QHANLFINLF1002 SMMLGSGMPE 1012 LQSFDDIAYI1022 RKTLALDKTE1032 QEALEYFMKQ1042 MNDAHHGGWT1052 |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:256 or .A:785 or .A:786 or .A:787 or .A:788 or .A:789 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 5SXD Crystal Structure of PI3Kalpha in complex with fragment 22 | ||||||
| Method | X-ray diffraction | Resolution | 3.50 Å | Mutation | No | [1] |
| PDB Sequence |
SYYHHHHHHD
-17 YDIPTTQGAS0 MPPRPSGELW11 GIHLMPPRIL21 VECLLPNGMI31 VTLECLREAT 41 LITIKHELFK51 EARKYPLHQL61 LQDESSYIFV71 SVTQEAEREE81 FFDETRRLCD 91 LRLFQPFLKV101 IEPVGNREEK111 ILNREIGFAI121 GMPVCEFDMV131 KDPEVQDFRR 141 NILNVCKEAV151 DLRDLNSPHS161 RAMYVYPPNV171 ESSPELPKHI181 YNKLDKGQII 191 VVIWVIVSPN201 NDKQKYTLKI211 NHDCVPEQVI221 AEAIRKKTRS231 MLLSSEQLKL 241 CVLEYQGKYI251 LKVCGCDEYF261 LEKYPLSQYK271 YIRSCIMLGR281 MPNLMLMAKE 291 SLYSQLPMDC301 FTMPSYSTST324 KSLWVINSAL334 RIKILCATYV344 NVNIRDIDKI 354 YVRTGIYHGG364 EPLCDNVNTQ374 RVPCSNPRWN384 EWLNYDIYIP394 DLPRAARLCL 404 SICSVHCPLA423 WGNINLFDYT433 DTLVSGKMAL443 NLWPVPHGLE453 DLLNPIGVTG 463 SNPNKETPCL473 ELEFDWFSSV483 VKFPDMSVIE493 EHANWSVSRE503 AGFSYSHAGL 513 SNRLARDNEL523 RENDKEQLKA533 ISTRDPLSEI543 TEQEKDFLWS553 HRHYCVTIPE 563 ILPKLLLSVK573 WNSRDEVAQM583 YCLVKDWPPI593 KPEQAMELLD603 CNYPDPMVRG 613 FAVRCLEKYL623 TDDKLSQYLI633 QLVQVLKYEQ643 YLDNLLVRFL653 LKKALTNQRI 663 GHFFFWHLKS673 EMHNKTVSQR683 FGLLLESYCR693 ACGMYLKHLN703 RQVEAMEKLI 713 NLTDILKQEK723 KDETQKVQMK733 FLVEQMRRPD743 FMDALQGFLS753 PLNPAHQLGN 763 LRLEECRIMS773 SAKRPLWLNW783 ENPDIMELLF794 QNNEIIFKNG804 DDLRQDMLTL 814 QIIRIMENIW824 QNQGLDLRML834 PYGCLSIGDC844 VGLIEVVRNS854 HTIMQIQCKG 864 GLKGALQFNS874 HTLHQWLKDK884 NKGEIYDAAI894 DLFTRSCAGY904 CVATFILGIG 914 DRHNSNIMVK924 DDGQLFHIDF934 GHFLDHKKKK944 FGKRERVPFV955 LTQDFLIVIS 965 KGAQECTKTR975 EFERFQEMCY985 KAYLAIRQHA995 NLFINLFSMM1005 LGSGMPELQS 1015 FDDIAYIRKT1025 LALDKTEQEA1035 LEYFMKQMND1045 AHHGGWTTK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:5 or .A:6 or .A:8 or .A:9 or .A:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:75 or .A:256 or .A:714 or .A:785 or .A:786 or .A:787 or .A:788 or .A:789 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PRO5
3.998
SER6
1.334
GLY8
1.333
GLU9
4.617
LEU10
4.624
TRP11
4.301
GLY12
3.614
ILE13
3.976
HIS14
3.449
GLN75
3.450
GLY256
4.565
|
|||||
| PDB ID: 5SXE Crystal Structure of PI3Kalpha in complex with fragments 19 and 28 | ||||||
| Method | X-ray diffraction | Resolution | 3.51 Å | Mutation | No | [1] |
| PDB Sequence |
SYYHHHHHHD
-17 YDIPQGAMGS0 MPPRPSGELW11 GIHLMPPRIL21 VECLLPNGMI31 VTLECLREAT 41 LITIKHELFK51 EARKYPLHQL61 LQDESSYIFV71 SVTQEAEREE81 FFDETRRLCD 91 LRLFQPFLKV101 IEPVGNREEK111 ILNREIGFAI121 GMPVCEFDMV131 KDPEVQDFRR 141 NILNVCKEAV151 DLRDLNSPHS161 RAMYVYPPNV171 ESSPELPKHI181 YNKLDKGQII 191 VVIWVIVSPN201 NDKQKYTLKI211 NHDCVPEQVI221 AEAIRKKTRS231 MLLSSEQLKL 241 CVLEYQGKYI251 LKVCGCDEYF261 LEKYPLSQYK271 YIRSCIMLGR281 MPNLMLMAKE 291 SLYSQLPMDC301 FTMPSYSTST324 KSLWVINSAL334 RIKILCATYV344 NVNIRDIDKI 354 YVRTGIYHGG364 EPLCDNVNTQ374 RVPCSNPRWN384 EWLNYDIYIP394 DLPRAARLCL 404 SICSVHCPLA423 WGNINLFDYT433 DTLVSGKMAL443 NLWPVPHGLE453 DLLNPIGVTG 463 SNPNKETPCL473 ELEFDWFSSV483 VKFPDMSVIE493 EHANWSVSRE503 AGFSYSHAGL 513 SNRLARDNEL523 RENDKEQLKA533 ISTRDPLSEI543 TEQEKDFLWS553 HRHYCVTIPE 563 ILPKLLLSVK573 WNSRDEVAQM583 YCLVKDWPPI593 KPEQAMELLD603 CNYPDPMVRG 613 FAVRCLEKYL623 TDDKLSQYLI633 QLVQVLKYEQ643 YLDNLLVRFL653 LKKALTNQRI 663 GHFFFWHLKS673 EMHNKTVSQR683 FGLLLESYCR693 ACGMYLKHLN703 RQVEAMEKLI 713 NLTDILKQEK723 KDETQKVQMK733 FLVEQMRRPD743 FMDALQGFLS753 PLNPAHQLGN 763 LRLEECRIMS773 SAKRPLWLNW783 ENPDIMELLF794 QNNEIIFKNG804 DDLRQDMLTL 814 QIIRIMENIW824 QNQGLDLRML834 PYGCLSIGDC844 VGLIEVVRNS854 HTIMQIQCKG 864 GLKGALQFNS874 HTLHQWLKDK884 NKGEIYDAAI894 DLFTRSCAGY904 CVATFILGIG 914 DRHNSNIMVK924 DDGQLFHIDF934 GHFLDHKKKK944 RERVPFVLTQ958 DFLIVISKGA 968 QECTKTREFE978 RFQEMCYKAY988 LAIRQHANLF998 INLFSMMLGS1008 GMPELQSFDD 1018 IAYIRKTLAL1028 DKTEQEALEY1038 FMKQMNDAHH1048 GGWTTK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:5 or .A:6 or .A:8 or .A:9 or .A:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:75 or .A:256 or .A:714 or .A:785 or .A:786 or .A:787 or .A:788 or .A:789 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PRO5
4.306
SER6
1.336
GLY8
1.327
GLU9
4.575
LEU10
4.246
TRP11
4.062
GLY12
3.680
ILE13
4.044
HIS14
3.320
GLN75
3.731
GLY256
4.569
|
|||||
| PDB ID: 5SX9 Crystal Structure of PI3Kalpha in complex with fragment 14 | ||||||
| Method | X-ray diffraction | Resolution | 3.52 Å | Mutation | No | [1] |
| PDB Sequence |
SYYHHHHHHD
-17 YDIPTQGAMG-1 SMPPRPSSGE9 LWGIHLMPPR19 ILVECLLPNG29 MIVTLECLRE 39 ATLITIKHEL49 FKEARKYPLH59 QLLQDESSYI69 FVSVTQEAER79 EEFFDETRRL 89 CDLRLFQPFL99 KVIEPVGNRE109 EKILNREIGF119 AIGMPVCEFD129 MVKDPEVQDF 139 RRNILNVCKE149 AVDLRDLNSP159 HSRAMYVYPP169 NVESSPELPK179 HIYNKLDKGQ 189 IIVVIWVIVS199 PNNDKQKYTL209 KINHDCVPEQ219 VIAEAIRKKT229 RSMLLSSEQL 239 KLCVLEYQGK249 YILKVCGCDE259 YFLEKYPLSQ269 YKYIRSCIML279 GRMPNLMLMA 289 KESLYSQLPM299 DCFTMPSYST324 KSLWVINSAL334 RIKILCATYV344 NVNIRDIDKI 354 YVRTGIYHGG364 EPLCDNVNTQ374 RVPCSNPRWN384 EWLNYDIYIP394 DLPRAARLCL 404 SICSVHCPLA423 WGNINLFDYT433 DTLVSGKMAL443 NLWPVPHGLE453 DLLNPIGVTG 463 SNPNKETPCL473 ELEFDWFSSV483 VKFPDMSVIE493 EHANWSVSRE503 AGFSYSHAGL 513 SNRLARDNEL523 RENDKEQLKA533 ISTRDPLSEI543 TEQEKDFLWS553 HRHYCVTIPE 563 ILPKLLLSVK573 WNSRDEVAQM583 YCLVKDWPPI593 KPEQAMELLD603 CNYPDPMVRG 613 FAVRCLEKYL623 TDDKLSQYLI633 QLVQVLKYEQ643 YLDNLLVRFL653 LKKALTNQRI 663 GHFFFWHLKS673 EMHNKTVSQR683 FGLLLESYCR693 ACGMYLKHLN703 RQVEAMEKLI 713 NLTDILKQEK723 KDETQKVQMK733 FLVEQMRRPD743 FMDALQGFLS753 PLNPAHQLGN 763 LRLEECRIMS773 SAKRPLWLNW783 ENPDIMELLF794 QNNEIIFKNG804 DDLRQDMLTL 814 QIIRIMENIW824 QNQGLDLRML834 PYGCLSIGDC844 VGLIEVVRNS854 HTIMQIQCKG 864 GLKGAFNSHT876 LHQWLKDKNK886 GEIYDAAIDL896 FTRSCAGYCV906 ATFILGIGDR 916 HNSNIMVKDD926 GQLFHIDFGH936 FLDHKKKKKR949 ERVPFVLTQD959 FLIVISKGAQ 969 ECTKTREFER979 FQEMCYKAYL989 AIRQHANLFI999 NLFSMMLGSG1009 MPELQSFDDI 1019 AYIRKTLALD1029 KTEQEALEYF1039 MKQMNDAHHG1049 GWTT
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:256 or .A:785 or .A:786 or .A:787 or .A:788 or .A:789 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 5SXC Crystal Structure of PI3Kalpha in complex with fragment 8 | ||||||
| Method | X-ray diffraction | Resolution | 3.55 Å | Mutation | No | [1] |
| PDB Sequence |
SYYHHHHHHD
-17 YDIPTPPRPS6 GELWGIHLMP17 PRILVECLLP27 NGMIVTLECL37 REATLITIKH 47 ELFKEARKYP57 LHQLLQDESS67 YIFVSVTQEA77 EREEFFDETR87 RLCDLRLFQP 97 FLKVIEPVGN107 REEKILNREI117 GFAIGMPVCE127 FDMVKDPEVQ137 DFRRNILNVC 147 KEAVDLRDLN157 SPHSRAMYVY167 PPNVESSPEL177 PKHIYNKLDK187 GQIIVVIWVI 197 VSPNNDKQKY207 TLKINHDCVP217 EQVIAEAIRK227 KTRSMLLSSE237 QLKLCVLEYQ 247 GKYILKVCGC257 DEYFLEKYPL267 SQYKYIRSCI277 MLGRMPNLML287 MAKESLYSQL 297 PMDCFTMPSY307 SSTKSLWVIN331 SALRIKILCA341 TYVNVNIRDI351 DKIYVRTGIY 361 HGGEPLCDNV371 NTQRVPCSNP381 RWNEWLNYDI391 YIPDLPRAAR401 LCLSICSVHC 420 PLAWGNINLF430 DYTDTLVSGK440 MALNLWPVPH450 GLEDLLNPIG460 VTGSNPNKET 470 PCLELEFDWF480 SSVVKFPDMS490 VIEEHANWSV500 SREAGFSYSH510 AGLSNRLARD 520 NELRENDKEQ530 LKAISTRDPL540 SEITEQEKDF550 LWSHRHYCVT560 IPEILPKLLL 570 SVKWNSRDEV580 AQMYCLVKDW590 PPIKPEQAME600 LLDCNYPDPM610 VRGFAVRCLE 620 KYLTDDKLSQ630 YLIQLVQVLK640 YEQYLDNLLV650 RFLLKKALTN660 QRIGHFFFWH 670 LKSEMHNKTV680 SQRFGLLLES690 YCRACGMYLK700 HLNRQVEAME710 KLINLTDILK 720 QEKKDETQKV730 QMKFLVEQMR740 RPDFMDALQG750 FLSPLNPAHQ760 LGNLRLEECR 770 IMSSAKRPLW780 LNWENPDIME791 LLFQNNEIIF801 KNGDDLRQDM811 LTLQIIRIME 821 NIWQNQGLDL831 RMLPYGCLSI841 GDCVGLIEVV851 RNSHTIMQIQ861 CKGGLKGALQ 871 FNSHTLHQWL881 KDKNKGEIYD891 AAIDLFTRSC901 AGYCVATFIL911 GIGDRHNSNI 921 MVKDDGQLFH931 IDFGHFLDHK941 KKKFRERVPF954 VLTQDFLIVI964 SKGAQECTKT 974 REFERFQEMC984 YKAYLAIRQH994 ANLFINLFSM1004 MLGSGMPELQ1014 SFDDIAYIRK 1024 TLALDKTEQE1034 ALEYFMKQMN1044 DAHHGGWT
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:5 or .A:6 or .A:8 or .A:9 or .A:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:75 or .A:256 or .A:714 or .A:785 or .A:786 or .A:787 or .A:788 or .A:789 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PRO5
3.493
SER6
1.336
GLY8
1.325
GLU9
4.532
LEU10
4.697
TRP11
4.038
GLY12
3.550
ILE13
3.521
HIS14
3.545
GLN75
3.580
GLY256
4.605
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| PDB ID: 5SXK Crystal Structure of PI3Kalpha in complex with fragment 18 | ||||||
| Method | X-ray diffraction | Resolution | 3.55 Å | Mutation | No | [1] |
| PDB Sequence |
SYYHHHHHHD
-17 YDIPTTFQGA-3 MGSMPPRPSS7 GELWGIHLMP17 PRILVECLLP27 NGMIVTLECL 37 REATLITIKH47 ELFKEARKYP57 LHQLLQDESS67 YIFVSVTQEA77 EREEFFDETR 87 RLCDLRLFQP97 FLKVIEPVGN107 REEKILNREI117 GFAIGMPVCE127 FDMVKDPEVQ 137 DFRRNILNVC147 KEAVDLRDLN157 SPHSRAMYVY167 PPNVESSPEL177 PKHIYNKLDK 187 GQIIVVIWVI197 VSPNNDKQKY207 TLKINHDCVP217 EQVIAEAIRK227 KTRSMLLSSE 237 QLKLCVLEYQ247 GKYILKVCGC257 DEYFLEKYPL267 SQYKYIRSCI277 MLGRMPNLML 287 MAKESLYSQL297 PMDCFTMPSY307 SGETSTKSLW328 VINSALRIKI338 LCATYVNVNI 348 RDIDKIYVRT358 GIYHGGEPLC368 DNVNTQRVPC378 SNPRWNEWLN388 YDIYIPDLPR 398 AARLCLSICS408 VEEHCPLAWG425 NINLFDYTDT435 LVSGKMALNL445 WPVPHGLEDL 455 LNPIGVTGSN465 PNKETPCLEL475 EFDWFSSVVK485 FPDMSVIEEH495 ANWSVSREAG 505 FSYSHAGLSN515 RDNELRENDK528 EQLKAISTRD538 PLSEITEQEK548 DFLWSHRHYC 558 VTIPEILPKL568 LLSVKWNSRD578 EVAQMYCLVK588 DWPPIKPEQA598 MELLDCNYPD 608 PMVRGFAVRC618 LEKYLTDDKL628 SQYLIQLVQV638 LKYEQYLDNL648 LVRFLLKKAL 658 TNQRIGHFFF668 WHLKSEMHNK678 TVSQRFGLLL688 ESYCRACGMY698 LKHLNRQVEA 708 MEKLINLTDI718 LKQEKKDETQ728 KVQMKFLVEQ738 MRRPDFMDAL748 QGFLSPLNPA 758 HQLGNLRLEE768 CRIMSSAKRP778 LWLNWENPDI788 MELLFQNNEI799 IFKNGDDLRQ 809 DMLTLQIIRI819 MENIWQNQGL829 DLRMLPYGCL839 SIGDCVGLIE849 VVRNSHTIMQ 859 IQCKGGLKGA869 LQFNSHTLHQ879 WLKDKNKGEI889 YDAAIDLFTR899 SCAGYCVATF 909 ILGIGDRHNS919 NIMVKDDGQL929 FHIDFGHFLD939 HKKKKFGYKR949 ERVPFVLTQD 959 FLIVISKGAQ969 ECTKTREFER979 FQEMCYKAYL989 AIRQHANLFI999 NLFSMMLGSG 1009 MPELQSFDDI1019 AYIRKTLALD1029 KTEQEALEYF1039 MKQMNDAHHG1049 GWT |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:256 or .A:785 or .A:786 or .A:787 or .A:788 or .A:789 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Identification of allosteric binding sites for PI3KAlpha oncogenic mutant specific inhibitor design. Bioorg Med Chem. 2017 Feb 15;25(4):1481-1486. | ||||
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