Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T16514 | Target Info | |||
| Target Name | Fatty acid synthase (FASN) | ||||
| Synonyms | Yeast fatty acid synthase; Fatty-acyl-CoA synthase; Fatty acyl-CoA synthetase enzyme; FAS | ||||
| Target Type | Successful Target | ||||
| Gene Name | FASN | ||||
| Biochemical Class | Acyltransferase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: NADPH | Ligand Info | |||||
| Structure Description | Human Fatty Acid Synthase Psi/KR Tri-Domain with NADPH and Compound 22 | PDB:6NNA | ||||
| Method | X-ray diffraction | Resolution | 2.26 Å | Mutation | Yes | [1] |
| PDB Sequence |
QQVPILEKFC
1118 FTPHTEEGCL1128 SERAALQEEL1138 QLCKGLVQAL1148 QTPSQQELPR1180 LLSAACRLAQ 1200 VLAQERPKLP1210 EDPLLSGLLD1220 SPALKACLDT1230 AVENMPSLKM1240 KVVEVLAGHG 1250 HLYSRIPGLL1260 SPHPLLQLSY1270 TATDRHPQAL1280 EAAQAELQQH1290 DVAQGQWDPA 1300 DPAPSALGSA1310 DLLVCNCAVA1320 ALGDPASALS1330 NMVAALREGG1340 FLLLHTLLRG 1350 HPLGDIVAFL1360 TSQGILSQDA1376 WESLFSRVSL1386 RLVGLKKSFY1396 GSTLFLCRRP 1406 TPQDSPIFLP1416 VDDTSFRWVE1426 SLKGILADED1436 SARPVWLKAI1446 NCATSGVVGL 1456 VNCLRREPGG1466 NRLRCVLLSN1476 LSSTSHVPEV1486 DPGSAELQKV1496 LQGDLVMNVY 1506 RDGAWGAFRH1516 FLLEEDSKTF1880 PAHKSYIIAG1891 GLGGFGLELA1901 QWLIQRGVQK 1911 LVLTSRSGIR1921 TGYQAKQVRR1931 WRRQGVQVQV1941 STSNISSLEG1951 ARGLIAEAAQ 1961 LGPVGGVFNL1971 AVVLRDGLLE1981 NQTPEFFQDV1991 CKPKYSGTLN2001 LDRVTREACP 2011 ELDYFVVFSS2021 VSCGRGNAGQ2031 SNYGFANSAM2041 ERICEKRRHE2051 GLPGLAVQWG 2061 AIGDVGILVE2071 DTIVSGTLPQ2086 RMASCLEVLD2096 LFLNQPHMVL2106 SSFVLAE |
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ALA1890
4.647
GLY1891
3.536
LEU1893
4.429
GLY1894
3.198
GLY1895
2.942
PHE1896
2.908
GLY1897
4.239
THR1915
3.284
SER1916
2.684
ARG1917
2.804
SER1918
3.472
GLY1919
4.616
ARG1921
4.104
SER1944
4.829
ASN1945
2.950
ILE1946
4.522
SER1947
3.684
ASN1970
4.280
LEU1971
3.412
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: GSK2194069 | Ligand Info | |||||
| Structure Description | Human Fatty Acid Synthase Psi/KR Tri-Domain with NADPH and GSK2194069 | PDB:4PIV | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | Yes | [2] |
| PDB Sequence |
MQVPILEKFC
1118 FTPHTEEGCL1128 SERAALQEEL1138 QLCKGLVQAL1148 QTPSQQELPR1180 LLSAACRLAQ 1200 VLAQERPKLP1210 EDPLLSGLLD1220 SPALKACLDT1230 AVENMPSLKM1240 KVVEVLAGHG 1250 HLYSRIPGLL1260 SPHPLLQLSY1270 TATDRHPQAL1280 EAAQAELQQH1290 DVAQGQWDPA 1300 DPAPSALGSA1310 DLLVCNCAVA1320 ALGDPASALS1330 NMVAALREGG1340 FLLLHTLLRG 1350 HPLGDIVAFL1360 TSQGILSQDA1376 WESLFSRVSL1386 RLVGLKKSFY1396 GSTLFLCRRP 1406 TPQDSPIFLP1416 VDDTSFRWVE1426 SLKGILADED1436 SARPVWLKAI1446 NCATSGVVGL 1456 VNCLRREPGG1466 NRLRCVLLSN1476 LSSTSHVPEV1486 DPGSAELQKV1496 LQGDLVMNVY 1506 RDGAWGAFRH1516 FLLEEDSKTF1880 CPAHKSYIIA1890 GGLGGFGLEL1900 AQWLIQRGVQ 1910 KLVLTSRSGI1920 RTGYQAKQVR1930 RWRRQGVQVQ1940 VSTSNISSLE1950 GARGLIAEAA 1960 QLGPVGGVFN1970 LAVVLRDGLL1980 ENQTPEFFQD1990 VCKPKYSGTL2000 NLDRVTREAC 2010 PELDYFVVFS2020 SVSCGRGNAG2030 QSNYGFANSA2040 MERICEKRRH2050 EGLPGLAVQW 2060 GAIGDVGILV2070 ETNDTIVSGT2083 LPQRMASCLE2093 VLDLFLNQPH2103 MVLSSFVLAE 2113
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HIS1263
3.383
PRO1264
3.349
LEU1265
4.112
LEU1975
3.690
SER2021
2.787
VAL2022
3.727
SER2023
3.305
ARG2026
3.489
GLY2027
3.716
ASN2028
3.132
GLN2031
3.884
|
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| Ligand Name: Coenzyme A | Ligand Info | |||||
| Structure Description | Structure of the MAT domain of human FAS with malonyl-CoA | PDB:2JFK | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [3] |
| PDB Sequence |
QSMRLLRASG
428 RTPEAVQKLL438 EQGLRHSQDL448 AFLSMLNDIA458 AVPATAMPFR468 GYAVLGGERG 478 GPEVQQVPAG488 ERPLWFICSG498 MGTQWRGMGL508 SLMRLDRFRD518 SILRSDEAVK 528 PFGLKVSQLL538 LSTDESTFDD548 IVHSFVSLTA558 IQIGLIDLLS568 CMGLRPDGIV 578 GHSLGEVACG588 YADGCLSQEE598 AVLAAYWRGQ608 CIKEAHLPPG618 AMAAVGLSWE 628 ECKQRCPPGV638 VPAHNSKDTV649 TISGPQAPVF659 EFVEQLRKEG669 VFAKEVRTGG 679 MAFHSYFMEA689 IAPPLLQELK699 KVIREPKPRS709 ARWLSTSIPE719 AQWHSSLART 729 SSAEYNVNNL739 VSPVLFQEAL749 WHVPEHAVVL759 EIAPHALLQA769 VLKRGLKPSC 779 TIIPLMKKDH789 RDNLEFFLAG799 IGRLHLSGID809 ANPNALFPPV819 |
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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 .COA or .COA2 or .COA3 or :3COA;style chemicals stick;color identity;select .A:499 or .A:500 or .A:674 or .A:675 or .A:676 or .A:766; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 6-{[(3r)-1-(Cyclopropylcarbonyl)pyrrolidin-3-Yl]methyl}-5-[4-(1-Methyl-1h-Indazol-5-Yl)phenyl]-4,6-Diazaspiro[2.4]hept-4-En-7-One | Ligand Info | |||||
| Structure Description | Structure of the beta-ketoacyl reductase domain of human fatty acid synthase bound to a spiro-imidazolone inhibitor | PDB:5C37 | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | Yes | [4] |
| PDB Sequence |
EQQVPILEKF
1117 CFTPHTEEGC1127 LSERAALQEE1137 LQLCKGLVQA1147 LQTKAQIPRD1172 PSQQELPRLL 1182 SAACRLQLNG1192 NLQLELAQVL1202 AQERPKLPED1212 PLLSGLLDSP1222 ALKACLDTAV 1232 ENMPSLKMKV1242 VEVLAGHGHL1252 YSRIPGLLSP1262 HPLLQLSYTA1272 TDRHPQALEA 1282 AQAELQQHDV1292 AQGQWDPADP1302 APSALGSADL1312 LVCNCAVAAL1322 GDPASALSNM 1332 VAALREGGFL1342 LLHTLLRGHP1352 LGDIVAFLTS1362 GQGILSQDAW1377 ESLFSRVSLR 1387 LVGLKKSFYG1397 STLFLCRRPT1407 PQDSPIFLPV1417 DDTSFRWVES1427 LKGILADEDS 1437 SRPVWLKAIN1447 CATSGVVGLV1457 NCLRREPGGN1467 RLRCVLLSNL1477 SSTSHVPEVD 1487 PGSAELQKVL1497 QGDLVMNVYR1507 DGAWGAFRHF1517 LLEEDSKTGC1881 PAHKSYIIAG 1891 GLGGFGLELA1901 QWLIQRGVQK1911 LVLTSRSGIR1921 TGYQAKQVRR1931 WRRQGVQVQV 1941 STSNISSLEG1951 ARGLIAEAAQ1961 LGPVGGVFNL1971 AVVLRDGLLE1981 NQTPEFFQDV 1991 CKPKYSGTLN2001 LDRVTREACP2011 ELDYFVVFSS2021 VSCGRGNAGQ2031 SNYGFANSAM 2041 ERICEKRRHE2051 GLPGLAVQWG2061 AIGDVGILVE2071 TMSTNDTIVS2081 GTLPQRMASC 2091 LEVLDLFLNQ2101 PHMVLSSFVL2111 AE
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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 .4XN or .4XN2 or .4XN3 or :34XN;style chemicals stick;color identity;select .A:1115 or .A:1238 or .A:1262 or .A:1263 or .A:1264 or .A:1265 or .A:1973 or .A:1975 or .A:2021 or .A:2022 or .A:2023 or .A:2026 or .A:2027 or .A:2028 or .A:2031 or .A:2034 or .A:2060 or .A:2061 or .A:2062 or .A:2063 or .A:2068 or .A:2069 or .A:2080 or .A:2081 or .A:2083 or .A:2109; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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GLU1115
3.878
LEU1238
4.988
PRO1262
2.751
HIS1263
2.597
PRO1264
2.822
LEU1265
3.977
VAL1973
4.385
LEU1975
2.347
SER2021
2.354
VAL2022
2.700
SER2023
2.755
ARG2026
2.422
GLY2027
2.795
|
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| Ligand Name: Cystein-S-Yl Cacodylate | Ligand Info | |||||
| Structure Description | Human Fatty Acid Synthase Psi/KR Tri-Domain with NADPH and Compound 22 | PDB:6NNA | ||||
| Method | X-ray diffraction | Resolution | 2.26 Å | Mutation | Yes | [1] |
| PDB Sequence |
QQVPILEKFC
1118 FTPHTEEGCL1128 SERAALQEEL1138 QLCKGLVQAL1148 QTPSQQELPR1180 LLSAACRLAQ 1200 VLAQERPKLP1210 EDPLLSGLLD1220 SPALKACLDT1230 AVENMPSLKM1240 KVVEVLAGHG 1250 HLYSRIPGLL1260 SPHPLLQLSY1270 TATDRHPQAL1280 EAAQAELQQH1290 DVAQGQWDPA 1300 DPAPSALGSA1310 DLLVCNCAVA1320 ALGDPASALS1330 NMVAALREGG1340 FLLLHTLLRG 1350 HPLGDIVAFL1360 TSQGILSQDA1376 WESLFSRVSL1386 RLVGLKKSFY1396 GSTLFLCRRP 1406 TPQDSPIFLP1416 VDDTSFRWVE1426 SLKGILADED1436 SARPVWLKAI1446 NCATSGVVGL 1456 VNCLRREPGG1466 NRLRCVLLSN1476 LSSTSHVPEV1486 DPGSAELQKV1496 LQGDLVMNVY 1506 RDGAWGAFRH1516 FLLEEDSKTF1880 PAHKSYIIAG1891 GLGGFGLELA1901 QWLIQRGVQK 1911 LVLTSRSGIR1921 TGYQAKQVRR1931 WRRQGVQVQV1941 STSNISSLEG1951 ARGLIAEAAQ 1961 LGPVGGVFNL1971 AVVLRDGLLE1981 NQTPEFFQDV1991 CKPKYSGTLN2001 LDRVTREACP 2011 ELDYFVVFSS2021 VSCGRGNAGQ2031 SNYGFANSAM2041 ERICEKRRHE2051 GLPGLAVQWG 2061 AIGDVGILVE2071 DTIVSGTLPQ2086 RMASCLEVLD2096 LFLNQPHMVL2106 SSFVLAE |
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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 .CAF or .CAF2 or .CAF3 or :3CAF;style chemicals stick;color identity;select .A:1879 or .A:1880 or .A:1882 or .A:1883 or .A:1887 or .A:1903 or .A:1904 or .A:1907 or .A:1908 or .A:1909 or .A:1969 or .A:2014 or .A:2015 or .A:2099; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: {4-[4-(1,3-Benzoxazol-2-yl)benzene-1-carbonyl]piperazin-1-yl}(1-hydroxycyclopropyl)methanone | Ligand Info | |||||
| Structure Description | Human Fatty Acid Synthase Psi/KR Tri-Domain with NADPH and Compound 22 | PDB:6NNA | ||||
| Method | X-ray diffraction | Resolution | 2.26 Å | Mutation | Yes | [1] |
| PDB Sequence |
QQVPILEKFC
1118 FTPHTEEGCL1128 SERAALQEEL1138 QLCKGLVQAL1148 QTPSQQELPR1180 LLSAACRLAQ 1200 VLAQERPKLP1210 EDPLLSGLLD1220 SPALKACLDT1230 AVENMPSLKM1240 KVVEVLAGHG 1250 HLYSRIPGLL1260 SPHPLLQLSY1270 TATDRHPQAL1280 EAAQAELQQH1290 DVAQGQWDPA 1300 DPAPSALGSA1310 DLLVCNCAVA1320 ALGDPASALS1330 NMVAALREGG1340 FLLLHTLLRG 1350 HPLGDIVAFL1360 TSQGILSQDA1376 WESLFSRVSL1386 RLVGLKKSFY1396 GSTLFLCRRP 1406 TPQDSPIFLP1416 VDDTSFRWVE1426 SLKGILADED1436 SARPVWLKAI1446 NCATSGVVGL 1456 VNCLRREPGG1466 NRLRCVLLSN1476 LSSTSHVPEV1486 DPGSAELQKV1496 LQGDLVMNVY 1506 RDGAWGAFRH1516 FLLEEDSKTF1880 PAHKSYIIAG1891 GLGGFGLELA1901 QWLIQRGVQK 1911 LVLTSRSGIR1921 TGYQAKQVRR1931 WRRQGVQVQV1941 STSNISSLEG1951 ARGLIAEAAQ 1961 LGPVGGVFNL1971 AVVLRDGLLE1981 NQTPEFFQDV1991 CKPKYSGTLN2001 LDRVTREACP 2011 ELDYFVVFSS2021 VSCGRGNAGQ2031 SNYGFANSAM2041 ERICEKRRHE2051 GLPGLAVQWG 2061 AIGDVGILVE2071 DTIVSGTLPQ2086 RMASCLEVLD2096 LFLNQPHMVL2106 SSFVLAE |
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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 .KUA or .KUA2 or .KUA3 or :3KUA;style chemicals stick;color identity;select .A:1263 or .A:1264 or .A:1265 or .A:1975 or .A:1977 or .A:2021 or .A:2022 or .A:2023 or .A:2026 or .A:2027 or .A:2028 or .A:2031 or .A:2034 or .A:2060 or .A:2061 or .A:2062 or .A:2068 or .A:2069 or .A:2080 or .A:2081 or .A:2083 or .A:2109; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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HIS1263
3.518
PRO1264
3.373
LEU1265
4.298
LEU1975
3.739
ASP1977
4.621
SER2021
2.875
VAL2022
3.093
SER2023
3.381
ARG2026
3.480
GLY2027
4.106
ASN2028
3.593
|
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| Ligand Name: Malonyl cysteine | Ligand Info | |||||
| Structure Description | Structure of the MAT domain of human FAS with malonyl-CoA | PDB:2JFK | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [3] |
| PDB Sequence |
QSMRLLRASG
428 RTPEAVQKLL438 EQGLRHSQDL448 AFLSMLNDIA458 AVPATAMPFR468 GYAVLGGERG 478 GPEVQQVPAG488 ERPLWFICSG498 MGTQWRGMGL508 SLMRLDRFRD518 SILRSDEAVK 528 PFGLKVSQLL538 LSTDESTFDD548 IVHSFVSLTA558 IQIGLIDLLS568 CMGLRPDGIV 578 GHSLGEVACG588 YADGCLSQEE598 AVLAAYWRGQ608 CIKEAHLPPG618 AMAAVGLSWE 628 ECKQRCPPGV638 VPAHNSKDTV649 TISGPQAPVF659 EFVEQLRKEG669 VFAKEVRTGG 679 MAFHSYFMEA689 IAPPLLQELK699 KVIREPKPRS709 ARWLSTSIPE719 AQWHSSLART 729 SSAEYNVNNL739 VSPVLFQEAL749 WHVPEHAVVL759 EIAPHALLQA769 VLKRGLKPSC 779 TIIPLMKKDH789 RDNLEFFLAG799 IGRLHLSGID809 ANPNALFPPV819 |
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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 .MCS or .MCS2 or .MCS3 or :3MCS;style chemicals stick;color identity;select .A:499 or .A:580 or .A:581 or .A:620 or .A:627 or .A:640 or .A:641 or .A:643 or .A:644 or .A:648 or .A:649 or .A:650 or .A:675 or .A:677 or .A:682 or .A:683 or .A:743; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (2s,3s,5s)-5-[(N-Formyl-L-Leucyl)oxy]-2-Hexyl-3-Hydroxyhexadecanoic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of the thioesterase domain of human fatty acid synthase inhibited by Orlistat | PDB:2PX6 | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [5] |
| PDB Sequence |
SLLVNPEGPT
2230 LMRLNSVQSS2240 ERPLFLVHPI2250 EGSTTVFHSL2260 ASRLSIPTYG2270 LQCTRAAPLD 2280 SIHSLAAYYI2290 DCIRQVQPEG2300 PYRVAGYSYG2310 ACVAFEMCSQ2320 LQAQQPTHNS 2333 LFLFDGSPTY2343 AEAETEAICF2370 FVQQFTDMEH2380 NRVLEALLPL2390 KGLEERVAAA 2400 VDLIIKSHQG2410 LDRQELSFAA2420 RSFYYKLRAA2430 EQYTPKAKYH2440 GNVMLLRAKT 2450 GADYNLSQVC2468 DGKVSVHVIE2478 GDHRTLLEGS2488 GLESIISIIH2498 SSL |
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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 .DH9 or .DH92 or .DH93 or :3DH9;style chemicals stick;color identity;select .A:2222 or .A:2249 or .A:2250 or .A:2251 or .A:2307 or .A:2308 or .A:2309 or .A:2338 or .A:2339 or .A:2340 or .A:2342 or .A:2343 or .A:2363 or .A:2366 or .A:2367 or .A:2370 or .A:2371 or .A:2374 or .A:2375 or .A:2423 or .A:2427 or .A:2431 or .A:2481 or .A:2482; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU2222
3.646
PRO2249
3.607
ILE2250
3.548
GLU2251
3.228
TYR2307
4.647
SER2308
1.379
TYR2309
3.529
ASP2338
3.974
GLY2339
3.829
SER2340
4.714
THR2342
3.730
TYR2343
2.965
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| Ligand Name: N,N-diethyl-4-{2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl}benzene-1-sulfonamide | Ligand Info | |||||
| Structure Description | Thioesterase Domain of Human Fatty Acid Synthase (FASN-TE) binding a competitive inhibitor SBP-7635 | PDB:7MHD | ||||
| Method | X-ray diffraction | Resolution | 2.03 Å | Mutation | No | [6] |
| PDB Sequence |
QLNLRSLLVN
225 PEGPTLMRLN235 SVQSSERPLF245 LVHPIEGSTT255 VFHSLASRLS265 IPTYGLQCTR 275 AAPLDSIHSL285 AAYYIDCIRQ295 VQPEGPYRVA305 GYSYGACVAF315 EMCSQLQAQQ 325 SPAPTHNSLF335 LFDGSPTYVL345 AYTQSYRAKL355 TPGCEAEAET365 EAICFFVQQF 375 TDMEHNRVLE385 ALLPLKGLEE395 RVAAAVDLII405 KSHQGLDRQE415 LSFAARSFYY 425 KLRAAEQYTP435 KAKYHGNVML445 LRAKTGDLGA460 DYNLSQVCDG470 KVSVHVIEGD 480 HRTLLEGSGL490 ESIISIIHSS500 LA
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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 .ZEP or .ZEP2 or .ZEP3 or :3ZEP;style chemicals stick;color identity;select .A:250 or .A:308 or .A:309 or .A:343 or .A:344 or .A:347 or .A:348 or .A:351 or .A:352 or .A:355 or .A:363 or .A:364 or .A:366 or .A:367 or .A:370 or .A:423 or .A:424 or .A:427 or .A:428 or .A:431 or .A:481; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE250
3.120
SER308
3.422
TYR309
3.754
TYR343
3.308
VAL344
3.627
TYR347
3.252
THR348
3.708
TYR351
3.154
ARG352
3.629
LEU355
4.654
ALA363
2.813
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| Ligand Name: CARBOXYMETHYLATED CYSTEINE | Ligand Info | |||||
| Structure Description | Enoyl-acyl carrier protein-reductase domain from human fatty acid synthase complexed with triclosan | PDB:4W9N | ||||
| Method | X-ray diffraction | Resolution | 1.84 Å | Mutation | No | [7] |
| PDB Sequence |
HAFVSTLTRG
1539 DLSSIRWVCP1559 GAQLCTVYYA1569 SLNFRDIMLA1579 TGKLSPDAIP1589 GKWTSQDSLL 1599 GMEFSGRDAS1609 GKRVMGLVPA1619 KGLATSVLLS1629 PDFLWDVPSN1639 WTLEEAASVP 1649 VVYSTAYYAL1659 VVRGRVRPGE1669 TLLIHSGSGG1679 VGQAAIAIAL1689 SLGCRVFTTV 1699 GSAEKRAYLQ1709 ARFPQLDSTS1719 FANSRDTSFE1729 QHVLWHTGGK1739 GVDLVLNSLA 1749 EEKLQASVRC1759 LATHGRFLEI1769 GKFDLLGMAI1784 FLKNVTFHGV1794 LLDAFFNESS 1804 ADWREVWALV1814 QAGIRDGVVR1824 PLKCTVFHGA1834 QVEDAFRYMA1844 QGKHIGKVVV 1854 QVLAEEP
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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 .CCS or .CCS2 or .CCS3 or :3CCS;style chemicals stick;color identity;select .C:1530 or .C:1531 or .C:1532 or .C:1546 or .C:1547; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: methyl (R)-(6Z,9Z,12Z)-octadeca-6,9,12-trien-1-ylphosphonofluoridate | Ligand Info | |||||
| Structure Description | Crystal Structure of the Human Fatty Acid Synthase Thioesterase Domain with an Activate Site-Specific Polyunsaturated Fatty Acyl Adduct | PDB:3TJM | ||||
| Method | X-ray diffraction | Resolution | 1.48 Å | Mutation | No | [8] |
| PDB Sequence |
NLRSLLVNPE
2227 GPTLMRLNSV2237 QSSERPLFLV2247 HPIEGSTTVF2257 HSLASRLSIP2267 TYGLQCTRAA 2277 PLDSIHSLAA2287 YYIDCIRQVQ2297 PEGPYRVAGY2307 SYGACVAFEM2317 CSQLQAQQSP 2327 APTHNSLFLF2337 DGSPTYVLAY2347 TGSYRAKLTP2357 GCEAEAETEA2367 ICFFVQQFTD 2377 MEHNRVLEAL2387 LPLKGLEERV2397 AAAVDLIIKS2407 HQGLDRQELS2417 FAARSFYYKL 2427 RAAEQYTPKA2437 KYHGNVMLLR2447 AAAGADYNLS2465 QVCDGKVSVH2475 VIEGDHATLL 2485 EGSGLESIIS2495 IIHSS
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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 .7FA or .7FA2 or .7FA3 or :37FA;style chemicals stick;color identity;select .A:2249 or .A:2250 or .A:2251 or .A:2307 or .A:2308 or .A:2309 or .A:2310 or .A:2343 or .A:2344 or .A:2347 or .A:2348 or .A:2351 or .A:2352 or .A:2355 or .A:2363 or .A:2366 or .A:2367 or .A:2370 or .A:2423 or .A:2424 or .A:2427 or .A:2428 or .A:2431 or .A:2481; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PRO2249
3.515
ILE2250
2.692
GLU2251
3.208
TYR2307
4.397
SER2308
1.656
TYR2309
2.837
GLY2310
4.891
TYR2343
4.276
VAL2344
3.776
TYR2347
3.662
THR2348
4.010
TYR2351
3.504
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Discovery and optimization of novel piperazines as potent inhibitors of fatty acid synthase (FASN). Bioorg Med Chem Lett. 2019 Apr 15;29(8):1001-1006. | ||||
| REF 2 | A human fatty acid synthase inhibitor binds beta-ketoacyl reductase in the keto-substrate site. Nat Chem Biol. 2014 Sep;10(9):774-9. | ||||
| REF 3 | Structure of the MAT Domain of Human Fas with Malonyl-Coa | ||||
| REF 4 | Design and Synthesis of a Series of Bioavailable Fatty Acid Synthase (FASN) KR Domain Inhibitors for Cancer Therapy | ||||
| REF 5 | Crystal structure of the thioesterase domain of human fatty acid synthase inhibited by Orlistat. Nat Struct Mol Biol. 2007 Aug;14(8):704-9. | ||||
| REF 6 | Thioesterase Domain of Human Fatty Acid Synthase (FASN-TE) binding a competitive inhibitor SBP-7635 | ||||
| REF 7 | Crystal structure of the human fatty acid synthase enoyl-acyl carrier protein-reductase domain complexed with triclosan reveals allosteric protein-protein interface inhibition. J Biol Chem. 2014 Nov 28;289(48):33287-95. | ||||
| REF 8 | Crystal structure of FAS thioesterase domain with polyunsaturated fatty acyl adduct and inhibition by dihomo-gamma-linolenic acid. Proc Natl Acad Sci U S A. 2011 Sep 20;108(38):15757-62. | ||||
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