Target Binding Site Detail
| 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 | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Coenzyme A | Ligand Info | |||
| Canonical SMILES | CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O | ||||
| InChI | 1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1 | ||||
| InChIKey | RGJOEKWQDUBAIZ-IBOSZNHHSA-N | ||||
| PubChem Compound ID | 87642 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 2JFK Structure of the MAT domain of human FAS with malonyl-CoA | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [1] |
| 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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| PDB ID: 2CG5 Structure of aminoadipate-semialdehyde dehydrogenase- phosphopantetheinyl transferase in complex with cytosolic acyl carrier protein and coenzyme A | ||||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | Yes | [2] |
| PDB Sequence |
QRDLVEAVAH
2133 ILGIRDLAAV2143 NLDSSLADLG2153 LDALMSVEVR2163 QTLERELNLV2173 LSVREVRQLT 2183 LRKLQELSSK2193 A
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structure of the MAT Domain of Human Fas with Malonyl-Coa | ||||
| REF 2 | Mechanism and substrate recognition of human holo ACP synthase. Chem Biol. 2007 Nov;14(11):1243-53. | ||||
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