Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T46849 | Target Info | |||
| Target Name | DNA mismatch repair protein MSH2 (MSH2) | ||||
| Synonyms | hMSH2; MutS protein homolog 2; Mismatch repair gene Msh2 | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | MSH2 | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | adenosine diphosphate | Ligand Info | |||
| Canonical SMILES | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N | ||||
| InChI | 1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | ||||
| InChIKey | XTWYTFMLZFPYCI-KQYNXXCUSA-N | ||||
| PubChem Compound ID | 6022 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 3THX Human MutSbeta complexed with an IDL of 3 bases (Loop3) and ADP | ||||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [1] |
| PDB Sequence |
ESAAEVGFVR
21 FFQGMPEKPT31 TTVRLFDRGD41 FYTAHGEDAL51 LAAREVFKTQ61 GVIKYMGPAG 71 AKNLQSVVLS81 KMNFESFVKD91 LLLVRQYRVE101 VYKNRASKEN115 DWYLAYKASP 125 GNLSQFEDIL135 FIGVVGVKMS153 AVDGQRQVGV163 GYVDSIQRKL173 GLCEFPDNDQ 183 FSNLEALLIQ193 IGPKECVLPG203 GETAGDMGKL213 RQIIQRGGIL223 ITERKKADFS 233 TKDIYQDLNR243 LLKGKKGEQM253 NSAVLPEMEN263 QVAVSSLSAV273 IKFLELLSDD 283 SNFGQFELTT293 FDFSQYMKLD303 IAAVRALNLF313 QQSLAALLNK332 CKTPQGQRLV 342 NQWIKQPLMD352 KNRIEERLNL362 VEAFVEDAEL372 RQTLQEDLLR382 RFPDLNRLAK 392 KFQRQAANLQ402 DCYRLYQGIN412 QLPNVIQALE422 KHEGKHQKLL432 LAVFVTPLTD 442 LRSDFSKFQE452 MIETTLDMDQ462 VENHEFLVKP472 SFDPNLSELR482 EIMNDLEKKM 492 QSTLISAARD502 LGLDPGKQIK512 LDSSAGYYFR524 VTCKEEKVLR534 NNKNFSTVDI 544 QGVKFTNSKL556 TSLNEEYTKN566 KTEYEEAQDA576 IVKEIVNISS586 GYVEPMQTLN 596 DVLAQLDAVV606 SFAHVSNGAP616 VPYVRPAILE626 KGQGRIILKA636 SRHACVEVQI 648 AFIPNDVYFE658 KDKQMFHIIT668 GPNMGGKSTY678 IRQTGVIVLM688 AQIGCFVPCE 698 SAEVSIVDCI708 LARVGSTFMA727 EMLETASILR737 SATKDSLIII747 DELGRGTSTY 757 DGFGLAWAIS767 EYIATKIGAF777 CMFATHFHEL787 TALANQIPTV797 NNLHVTALTT 807 EETLTMLYQV817 KKGVCDQSFG827 IHVAELANFP837 KHVIECAKQK847 ALELEEFQYK 872 CYLEREQGEK882 IIQEFLSKVK892 QMPFTEMSEE902 NITIKLKQLK912 AEVIAKNNSF 922 VNEIISRI
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| PDB ID: 2O8B human MutSalpha (MSH2/MSH6) bound to ADP and a G T mispair | ||||||
| Method | X-ray diffraction | Resolution | 2.75 Å | Mutation | No | [2] |
| PDB Sequence |
MAVQPKETLQ
10 LESAAEVGFV20 RFFQGMPEKP30 TTTVRLFDRG40 DFYTAHGEDA50 LLAAREVFKT 60 QGVIKYMGPA70 GAKNLQSVVL80 SKMNFESFVK90 DLLLVRQYRV100 EVYKNRAGSK 113 ENDWYLAYKA123 SPGNLSQFED133 ILFGNNIGVV148 GVKMSAVDGQ158 RQVGVGYVDS 168 IQRKLGLCEF178 PDNDQFSNLE188 ALLIQIGPKE198 CVLPGGETAG208 DMGKLRQIIQ 218 RGGILITERK228 KADFSTKDIY238 QDLNRGKKGE251 QMNSAVLPEM261 ENQVAVSSLS 271 AVIKFLELLS281 DDSNFGQFEL291 TTFDFSQYMK301 LDIAAVRALN311 LFQGSTGSQS 325 LAALLNKCKT335 PQGQRLVNQW345 IKQPLMDKNR355 IEERLNLVEA365 FVEDAELRQT 375 LQEDLLRRFP385 DLNRLAKKFQ395 RQAANLQDCY405 RLYQGINQLP415 NVIQALEKHE 425 GKHQKLLLAV435 FVTPLTDLRS445 DFSKFQEMIE455 TTLDMDQVEN465 HEFLVKPSFD 475 PNLSELREIM485 NDLEKKMQST495 LISAARDLGL505 DPGKQIKLDS515 SAQFGYYFRV 525 TCKEEKVLRN535 NKNFSTVDIQ545 KNGVKFTNSK555 LTSLNEEYTK565 NKTEYEEAQD 575 AIVKEIVNIS585 SGYVEPMQTL595 NDVLAQLDAV605 VSFAHVSNGA615 PVPYVRPAIL 625 EKGQGRIILK635 ASRHACVEVQ645 DEIAFIPNDV655 YFEKDKQMFH665 IITGPNMGGK 675 STYIRQTGVI685 VLMAQIGCFV695 PCESAEVSIV705 DCILARVGST724 FMAEMLETAS 734 ILRSATKDSL744 IIIDELGRGT754 STYDGFGLAW764 AISEYIATKI774 GAFCMFATHF 784 HELTALANQI794 PTVNNLHVTA804 LTTEETLTML814 YQVKKGVCDQ824 SFGIHVAELA 834 NFPKHVIECA844 KQKALELEEF854 Q
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| PDB ID: 3THY Human MutSbeta complexed with an IDL of 2 bases (Loop2) and ADP | ||||||
| Method | X-ray diffraction | Resolution | 2.89 Å | Mutation | No | [1] |
| PDB Sequence |
SAAEVGFVRF
22 FQGMPEKPTT32 TVRLFDRGDF42 YTAHGEDALL52 AAREVFKTQG62 VIKYMGPAGA 72 KNLQSVVLSK82 MNFESFVKDL92 LLVRQYRVEV102 YKNRASKEND116 WYLAYKASPG 126 NLSQFEDILF136 GNNDMSSIGV147 VGVKMSAVDG157 QRQVGVGYVD167 SIQRKLGLCE 177 FPDNDQFSNL187 EALLIQIGPK197 ECVLPGGETA207 GDMGKLRQII217 QRGGILITER 227 KKADFSTKDI237 YQDLNRLLKG247 KKGEQMNSAV257 LPEMENQVAV267 SSLSAVIKFL 277 ELLSDDSNFG287 QFELTTFDFS297 QYMKLDIAAV307 RALNLFQGSS323 QSLAALLNKC 333 KTPQGQRLVN343 QWIKQPLMDK353 NRIEERLNLV363 EAFVEDAELR373 QTLQEDLLRR 383 FPDLNRLAKK393 FQRQAANLQD403 CYRLYQGINQ413 LPNVIQALEK423 HEGKHQKLLL 433 AVFVTPLTDL443 RSDFSKFQEM453 IETTLDMDQV463 ENHEFLVKPS473 FDPNLSELRE 483 IMNDLEKKMQ493 STLISAARDL503 GLDPGKQIKL513 DSSAQFGYYF523 RVTCKEEKVL 533 RNNKNFSTVD543 IQKNGVKFTN553 SKLTSLNEEY563 TKNKTEYEEA573 QDAIVKEIVN 583 ISSGYVEPMQ593 TLNDVLAQLD603 AVVSFAHVSN613 GAPVPYVRPA623 ILEKGQGRII 633 LKASRHACVE643 VQDEIAFIPN653 DVYFEKDKQM663 FHIITGPNMG673 GKSTYIRQTG 683 VIVLMAQIGC693 FVPCESAEVS703 IVDCILARVG713 STFMAEMLET732 ASILRSATKD 742 SLIIIDELGR752 GTSTYDGFGL762 AWAISEYIAT772 KIGAFCMFAT782 HFHELTALAN 792 QIPTVNNLHV802 TALTTEETLT812 MLYQVKKGVC822 DQSFGIHVAE832 LANFPKHVIE 842 CAKQKALELE852 EFQYKCYLER877 EQGEKIIQEF887 LSKVKQMPFT897 EMSEENITIK 907 LKQLKAEVIA917 KNNSFVNEII927 SRI
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| PDB ID: 2O8D human MutSalpha (MSH2/MSH6) bound to ADP and a G dU mispair | ||||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | No | [2] |
| PDB Sequence |
MAVQPKETLQ
10 LESAAEVGFV20 RFFQGMPEKP30 TTTVRLFDRG40 DFYTAHGEDA50 LLAAREVFKT 60 QGVIKYMGPA70 GAKNLQSVVL80 SKMNFESFVK90 DLLLVRQYRV100 EVYKNRAGSK 113 ENDWYLAYKA123 SPGNLSQFED133 ILFGNNIGVV148 GVKMSAVDQR159 QVGVGYVDSI 169 QRKLGLCEFP179 DNDQFSNLEA189 LLIQIGPKEC199 VLPGGETAGD209 MGKLRQIIQR 219 GGILITERKK229 ADFSTKDIYQ239 DLNRGKKGEQ252 MNSAVLPEME262 NQVAVSSLSA 272 VIKFLELLSD282 DSNFGQFELT292 TFDFSQYMKL302 DIAAVRALNL312 FQGSTGSQSL 326 AALLNKCKTP336 QGQRLVNQWI346 KQPLMDKNRI356 EERLNLVEAF366 VEDAELRQTL 376 QEDLLRRFPD386 LNRLAKKFQR396 QAANLQDCYR406 LYQGINQLPN416 VIQALEKHEG 426 KHQKLLLAVF436 VTPLTDLRSD446 FSKFQEMIET456 TLDMDQVENH466 EFLVKPSFDP 476 NLSELREIMN486 DLEKKMQSTL496 ISAARDLGLD506 PGKQIKLDSS516 AQFGYYFRVT 526 CKEEKVLRNN536 KNFSTVDIQK546 NGVKFTNSKL556 TSLNEEYTKN566 KTEYEEAQDA 576 IVKEIVNISS586 GYVEPMQTLN596 DVLAQLDAVV606 SFAHVSNGAP616 VPYVRPAILE 626 KGQGRIILKA636 SRHACVEVQD646 EIAFIPNDVY656 FEKDKQMFHI666 ITGPNMGGKS 676 TYIRQTGVIV686 LMAQIGCFVP696 CESAEVSIVD706 CILARVGSTF725 MAEMLETASI 735 LRSATKDSLI745 IIDELGRGTS755 TYDGFGLAWA765 ISEYIATKIG775 AFCMFATHFH 785 ELTALANQIP795 TVNNLHVTAL805 TTEETLTMLY815 QVKKGVCDQS825 FGIHVAELAN 835 FPKHVIECAK845 QKALELEEFQ855
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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 .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:642 or .A:645 or .A:648 or .A:649 or .A:650 or .A:651 or .A:653 or .A:670 or .A:671 or .A:672 or .A:673 or .A:674 or .A:675 or .A:676 or .A:677 or .A:815; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3THW Human MutSbeta complexed with an IDL of 4 bases (Loop4) and ADP | ||||||
| Method | X-ray diffraction | Resolution | 3.09 Å | Mutation | No | [1] |
| PDB Sequence |
LESAAEVGFV
20 RFFQGMPEKP30 TTTVRLFDRG40 DFYTAHGEDA50 LLAAREVFKT60 QGVIKYMGPA 70 GAKNLQSVVL80 SKMNFESFVK90 DLLLVRQYRV100 EVYKNRASKE114 NDWYLAYKAS 124 PGNLSQFEDI134 LFGNNDMIGV147 VGVKMSAVDG157 QRQVGVGYVD167 SIQRKLGLCE 177 FPDNDQFSNL187 EALLIQIGPK197 ECVLPGGETA207 GDMGKLRQII217 QRGGILITER 227 KKADFSTKDI237 YQDLNRLLKG247 KKGEQMNSAV257 LPEMENQVAV267 SSLSAVIKFL 277 ELLSDDSNFG287 QFELTTFDFS297 QYMKLDIAAV307 RALNLFQGSS323 QSLAALLNKC 333 KTPQGQRLVN343 QWIKQPLMDK353 NRIEERLNLV363 EAFVEDAELR373 QTLQEDLLRR 383 FPDLNRLAKK393 FQRQAANLQD403 CYRLYQGINQ413 LPNVIQALEK423 HEGKHQKLLL 433 AVFVTPLTDL443 RSDFSKFQEM453 IETTLDMDQV463 ENHEFLVKPS473 FDPNLSELRE 483 IMNDLEKKMQ493 STLISAARDL503 GLDPGKQIKL513 DSSAGYYFRV525 TCKEEKVLRN 535 NKNFSTVDIQ545 KNGVKFTNSK555 LTSLNEEYTK565 NKTEYEEAQD575 AIVKEIVNIS 585 SGYVEPMQTL595 NDVLAQLDAV605 VSFAHVSNGA615 PVPYVRPAIL625 EKGQGRIILK 635 ASRHACVEVQ645 DEIAFIPNDV655 YFEKDKQMFH665 IITGPNMGGK675 STYIRQTGVI 685 VLMAQIGCFV695 PCESAEVSIV705 DCILARVGLK720 GVSTFMAEML730 ETASILRSAT 740 KDSLIIIDEL750 GRGTSTYDGF760 GLAWAISEYI770 ATKIGAFCMF780 ATHFHELTAL 790 ANQIPTVNNL800 HVTALTTEET810 LTMLYQVKKG820 VCDQSFGIHV830 AELANFPKHV 840 IECAKQKALE850 LEEFQMEPAA870 KKCYLEREQG880 EKIIQEFLSK890 VKQMPFTEMS 900 EENITIKLKQ910 LKAEVIAKNN920 SFVNEIISRI930
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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 .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:642 or .A:648 or .A:649 or .A:650 or .A:651 or .A:653 or .A:670 or .A:671 or .A:672 or .A:673 or .A:674 or .A:675 or .A:676 or .A:677 or .A:681 or .A:749 or .A:815; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 2O8F human MutSalpha (MSH2/MSH6) bound to DNA with a single base T insert | ||||||
| Method | X-ray diffraction | Resolution | 3.25 Å | Mutation | No | [2] |
| PDB Sequence |
MAVQPKETLQ
10 LESAAEVGFV20 RFFQGMPEKP30 TTTVRLFDRG40 DFYTAHGEDA50 LLAAREVFKT 60 QGVIKYMGPA70 GAKNLQSVVL80 SKMNFESFVK90 DLLLVRQYRV100 EVYKNRAGSK 113 ENDWYLAYKA123 SPGNLSQFED133 ILFGNNIGVV148 GVKMSAVDQR159 QVGVGYVDSI 169 QRKLGLCEFP179 DNDQFSNLEA189 LLIQIGPKEC199 VLPGGETAGD209 MGKLRQIIQR 219 GGILITERKK229 ADFSTKDIYQ239 DLNRKGKKGE251 QMNSAVLPEM261 ENQVAVSSLS 271 AVIKFLELLS281 DDSNFGQFEL291 TTFDFSQYMK301 LDIAAVRALN311 LFQGDTTGSQ 324 SLAALLNKCK334 TPQGQRLVNQ344 WIKQPLMDKN354 RIEERLNLVE364 AFVEDAELRQ 374 TLQEDLLRRF384 PDLNRLAKKF394 QRQAANLQDC404 YRLYQGINQL414 PNVIQALEKH 424 EGKHQKLLLA434 VFVTPLTDLR444 SDFSKFQEMI454 ETTLDMDQVE464 NHEFLVKPSF 474 DPNLSELREI484 MNDLEKKMQS494 TLISAARDLG504 LDPGKQIKLD514 SSAQFGYYFR 524 VTCKEEKVLR534 NNKNFSTVDI544 QKNGVKFTNS554 KLTSLNEEYT564 KNKTEYEEAQ 574 DAIVKEIVNI584 SSGYVEPMQT594 LNDVLAQLDA604 VVSFAHVSNG614 APVPYVRPAI 624 LEKGQGRIIL634 KASRHACVEV644 QDEIAFIPND654 VYFEKDKQMF664 HIITGPNMGG 674 KSTYIRQTGV684 IVLMAQIGCF694 VPCESAEVSI704 VDCILARVGS723 TFMAEMLETA 733 SILRSATKDS743 LIIIDELGRG753 TSTYDGFGLA763 WAISEYIATK773 IGAFCMFATH 783 FHELTALANQ793 IPTVNNLHVT803 ALTTEETLTM813 LYQVKKGVCD823 QSFGIHVAEL 833 ANFPKHVIEC843 AKQKALELEE853 FQ
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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 .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:642 or .A:648 or .A:649 or .A:650 or .A:651 or .A:653 or .A:670 or .A:671 or .A:672 or .A:673 or .A:674 or .A:675 or .A:676 or .A:677 or .A:678 or .A:815; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 2O8E human MutSalpha (MSH2/MSH6) bound to a G T mispair, with ADP bound to MSH2 only | ||||||
| Method | X-ray diffraction | Resolution | 3.30 Å | Mutation | Yes | [2] |
| PDB Sequence |
MAVQPKETLQ
10 LESAAEVGFV20 RFFQGMPEKP30 TTTVRLFDRG40 DAYTAHGEDA50 LLAAREVFKT 60 QGVIKYMGPA70 GAKNLQSVVL80 SKMNFESFVK90 DLLLVRQYRV100 EVYKNRAGSK 113 ENDWYLAYKA123 SPGNLSQFED133 ILFGNNIGVV148 GVKMQRQVGV163 GYVDSIQRKL 173 GLCEFPDNDQ183 FSNLEALLIQ193 IGPKECVLPG203 GETAGDMGKL213 RQIIQRGGIL 223 ITERKKADFS233 TKDIYQDLNR243 GKKGEQMNSA256 VLPEMENQVA266 VSSLSAVIKF 276 LELLSDDSNF286 GQFELTTFDF296 SQYMKLDIAA306 VRALNLFQTG322 SQSLAALLNK 332 CKTPQGQRLV342 NQWIKQPLMD352 KNRIEERLNL362 VEAFVEDAEL372 RQTLQEDLLR 382 RFPDLNRLAK392 KFQRQAANLQ402 DCYRLYQGIN412 QLPNVIQALE422 KHEGKHQKLL 432 LAVFVTPLTD442 LRSDFSKFQE452 MIETTLDMDQ462 VENHEFLVKP472 SFDPNLSELR 482 EIMNDLEKKM492 QSTLISAARD502 LGLDPGKQIK512 LDSSAQFGYY522 FRVTCKEEKV 532 LRNNKNFSTV542 DIQKNGVKFT552 NSKLTSLNEE562 YTKNKTEYEE572 AQDAIVKEIV 582 NISSGYVEPM592 QTLNDVLAQL602 DAVVSFAHVS612 NGAPVPYVRP622 AILEKGQGRI 632 ILKASRHACV642 EVQDEIAFIP652 NDVYFEKDKQ662 MFHIITGPNM672 GGKSTYIRQT 682 GVIVLMAQIG692 CFVPCESAEV702 SIVDCILARV712 GSTFMAEMLE731 TASILRSATK 741 DSLIIIDELG751 RGTSTYDGFG761 LAWAISEYIA771 TKIGAFCMFA781 THFHELTALA 791 NQIPTVNNLH801 VTALTTEETL811 TMLYQVKKGV821 CDQSFGIHVA831 ELANFPKHVI 841 ECAKQKALEL851 EEFQ
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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 .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:642 or .A:645 or .A:648 or .A:649 or .A:650 or .A:651 or .A:652 or .A:653 or .A:670 or .A:671 or .A:672 or .A:673 or .A:674 or .A:675 or .A:676 or .A:677 or .A:681 or .A:748 or .A:815; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 2O8C human MutSalpha (MSH2/MSH6) bound to ADP and an O6-methyl-guanine T mispair | ||||||
| Method | X-ray diffraction | Resolution | 3.37 Å | Mutation | No | [2] |
| PDB Sequence |
MAVQPKETLQ
10 LESAAEVGFV20 RFFQGMPEKP30 TTTVRLFDRG40 DFYTAHGEDA50 LLAAREVFKT 60 QGVIKYMGPA70 GAKNLQSVVL80 SKMNFESFVK90 DLLLVRQYRV100 EVYKNRAGSK 113 ENDWYLAYKA123 SPGNLSQFED133 ILFGNNIGVV148 GVKMSAVDQR159 QVGVGYVDSI 169 QRKLGLCEFP179 DNDQFSNLEA189 LLIQIGPKEC199 VLPGGETAGD209 MGKLRQIIQR 219 GGILITERKK229 ADFSTKDIYQ239 DLNRGKKGEQ252 MNSAVLPEME262 NQVAVSSLSA 272 VIKFLELLSD282 DSNFGQFELT292 TFDFSQYMKL302 DIAAVRALNL312 FQGSTGSQSL 326 AALLNKCKTP336 QGQRLVNQWI346 KQPLMDKNRI356 EERLNLVEAF366 VEDAELRQTL 376 QEDLLRRFPD386 LNRLAKKFQR396 QAANLQDCYR406 LYQGINQLPN416 VIQALEKHEG 426 KHQKLLLAVF436 VTPLTDLRSD446 FSKFQEMIET456 TLDMDQVENH466 EFLVKPSFDP 476 NLSELREIMN486 DLEKKMQSTL496 ISAARDLGLD506 PGKQIKLDSS516 AQFGYYFRVT 526 CKEEKVLRNN536 KNFSTVDIQK546 NGVKFTNSKL556 TSLNEEYTKN566 KTEYEEAQDA 576 IVKEIVNISS586 GYVEPMQTLN596 DVLAQLDAVV606 SFAHVSNGAP616 VPYVRPAILE 626 KGQGRIILKA636 SRHACVEVQD646 EIAFIPNDVY656 FEKDKQMFHI666 ITGPNMGGKS 676 TYIRQTGVIV686 LMAQIGCFVP696 CESAEVSIVD706 CILARVGSTF725 MAEMLETASI 735 LRSATKDSLI745 IIDELGRGTS755 TYDGFGLAWA765 ISEYIATKIG775 AFCMFATHFH 785 ELTALANQIP795 TVNNLHVTAL805 TTEETLTMLY815 QVKKGVCDQS825 FGIHVAELAN 835 FPKHVIECAK845 QKALELEEFQ855
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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 .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:642 or .A:645 or .A:648 or .A:649 or .A:650 or .A:651 or .A:652 or .A:653 or .A:670 or .A:671 or .A:672 or .A:673 or .A:674 or .A:675 or .A:676 or .A:677 or .A:815; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3THZ Human MutSbeta complexed with an IDL of 6 bases (Loop6) and ADP | ||||||
| Method | X-ray diffraction | Resolution | 4.30 Å | Mutation | No | [1] |
| PDB Sequence |
LESAAEVGFV
20 RFFQGMPEKP30 TTTVRLFDRG40 DFYTAHGEDA50 LLAAREVFKT60 QGVIKYMGPA 70 GAKNLQSVVL80 SKMNFESFVK90 DLLLVRQYRV100 EVYKNRASKE114 NDWYLAYKAS 124 PGNLSQFEDI134 LFGNNDMIGV147 VGVKMSAVDG157 QRQVGVGYVD167 SIQRKLGLCE 177 FPDNDQFSNL187 EALLIQIGPK197 ECVLPGGETA207 GDMGKLRQII217 QRGGILITER 227 KKADFSTKDI237 YQDLNRLLKG247 KKGEQMNSAV257 LPEMENQVAV267 SSLSAVIKFL 277 ELLSDDSNFG287 QFELTTFDFS297 QYMKLDIAAV307 RALNLFQGSS323 QSLAALLNKC 333 KTPQGQRLVN343 QWIKQPLMDK353 NRIEERLNLV363 EAFVEDAELR373 QTLQEDLLRR 383 FPDLNRLAKK393 FQRQAANLQD403 CYRLYQGINQ413 LPNVIQALEK423 HEGKHQKLLL 433 AVFVTPLTDL443 RSDFSKFQEM453 IETTLDMDQV463 ENHEFLVKPS473 FDPNLSELRE 483 IMNDLEKKMQ493 STLISAARDL503 GLDPGKQIKL513 DSSAGYYFRV525 TCKEEKVLRN 535 NKNFSTVDIQ545 GVKFTNSKLT557 SLNEEYTKNK567 TEYEEAQDAI577 VKEIVNISSG 587 YVEPMQTLND597 VLAQLDAVVS607 FAHVSNGAPV617 PYVRPAILEK627 GQGRIILKAS 637 RHACVEVQDE647 IAFIPNDVYF657 EKDKQMFHII667 TGPNMGGKST677 YIRQTGVIVL 687 MAQIGCFVPC697 ESAEVSIVDC707 ILARVGLKGV722 STFMAEMLET732 ASILRSATKD 742 SLIIIDELGR752 GTSTYDGFGL762 AWAISEYIAT772 KIGAFCMFAT782 HFHELTALAN 792 QIPTVNNLHV802 TALTTEETLT812 MLYQVKKGVC822 DQSFGIHVAE832 LANFPKHVIE 842 CAKQKALELE852 EFQMEPAAKK872 CYLEREQGEK882 IIQEFLSKVK892 QMPFTEMSEE 902 NITIKLKQLK912 AEVIAKNNSF922 VNEIISRI
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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 .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:648 or .A:649 or .A:650 or .A:651 or .A:653 or .A:670 or .A:671 or .A:672 or .A:673 or .A:674 or .A:675 or .A:676 or .A:677 or .A:678 or .A:681 or .A:748 or .A:749 or .A:815; 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 | Mechanism of mismatch recognition revealed by human MutSbeta bound to unpaired DNA loops. Nat Struct Mol Biol. 2011 Dec 18;19(1):72-8. | ||||
| REF 2 | Structure of the human MutSalpha DNA lesion recognition complex. Mol Cell. 2007 May 25;26(4):579-92. | ||||
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