Structure of PDB 6ql9 Chain D Binding Site BS01

Receptor Information
>6ql9 Chain D (length=1765) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKPEVEQELAHILLTELLAYQFASPVRWIETQDVFLKDFNTERVVEIGPS
PTLAGMAQRTLKNKYESYDAALSLHREILCYSKDAKEIYYTPDPSEIADE
PVKASLLLHVLVAHKLKKSLDSIPMSKTIKDLVGGKSTVQNEILGDLGKE
FGTTPEKPEETPLEELAETFQDTFSGALGKQSSSLLSRLISSKMPGGFTI
TVARKYLQTRWGLPSGRQDGVLLVALSNEPAARLGSEADAKAFLDSMAQK
YASIVGVDLLEEITKDHKVLARQQLQVLARYLKMDLDNGERKFLKEKDTV
AELQAQLDYLNAELGEFFVNGVATSFSRKKARTFDSSWNWAKQSLLSLYF
EIIHGVLKNVDREVVSEAINIMNRSNDALIKFMEYHISNTDETKGENYQL
VKTLGEQLIENCKQVLDVDPVYKDVAKPTGPKTAIDKNGNITYSEEPREK
VRKLSQYVQEMALGGPITKESQPTIEEMDVEDALDKDSTKEVASLPNKST
ISKTVSSTIPRETIPFLHLRKKTPAGDWKYDRQLSSLFLDGLEKAAFNGV
TFKDKYVLITGAGKGSIGAEVLQGLLQGGAKVVVTTSRFSKQVTDYYQSI
YAKYGAKGSTLIVVPFNQGSKQDVEALIEFIYDTEKNGGLGWDLDAIIPF
AAIPEQGIELEHIDSKSEFAHRIMLTNILRMMGCVKKQKSARGIETRPAQ
VILPMSPNHGTFGGDGMYSESKLSLETLFNRWHSESWANQLTVCGAIIGW
TRGTGLMSANNIIAEGIEKMGVRTFSQKEMAFNLLGLLTPEVVELCQKSP
VMADLNGGLQFVPELKEFTAKLRKELVETSEVRKAVSIETALEHKVVNGN
SADAAYAQVEIQPRANIQLDFPELKPYKQVKQIAPAELEGLLDLERVIVV
TGFAEVGPWGSARTRWEMEAFGEFSLEGCVEMAWIMGFISYHNGNLKGRP
YTGWVDSKTKEPVDDKDVKAKYETSILEHSGIRLIEPELFNGYNPEKKEM
IQEVIVEEDLEPFEASKETAEQFKHQHGDKVDIFEIPETGEYSVKLLKGA
TLYIPKALRFDRLVAGQIPTGWNAKTYGISDDIISQVDPITLFVLVSVVE
AFIASGITDPYEMYKYVHVSEVGNCSGSGMGGVSALRGMFKDRFKDEPVQ
NDILQESFINTMSAWVNMLLISSSGPIKTPVGACATSVESVDIGVETILS
GKARICIVGGYDDFQEEGSFEFGNMKATSNTLEEFEHGRTPAEMSRPATT
TRNGFMEAQGAGIQIIMQADLALKMGVPIYGIVAMAATATDKIGRSVPAP
GKGILTTAREHHSSVKYASPNLNMKYRKRQLVTREAQIKDWVENELEALK
LEAEEIPSEDQNEFLLERTREIHNEAESQLRAAQQQWGNDFYKRDPRIAP
LRGALATYGLTIDDLGVASFHGTSTKANDKNESATINEMMKHLGRSEGNP
VIGVFQKFLTGHPKGAAGAWMMNGALQILNSGIIPGNRNADNVDKILEQF
EYVLYPSKTLKTDGVRAVSITSFGFGQKGGQAIVVHPDYLYGAITEDRYN
EYVAKVSAREKSAYKFFHNGMIYNKLFVSKEHAPYTDELEEDVYLDPLAR
VSKDKKSGSLTFNSKNIQSKDSYINANTIETAKMIENMTKEKVSNGGVGV
DVELITSINVENDTFIERNFTPQEIEYCSAQPSVQSSFAGTWSAKEAVFK
SLGVKSLGGGAALKDIEIVRVNKNAPAVELHGNAKKAAEEAGVTDVKVSI
SHDDLQAVAVAVSTK
Ligand information
Ligand IDPNS
InChIInChI=1S/C11H23N2O7PS/c1-11(2,7-20-21(17,18)19)9(15)10(16)13-4-3-8(14)12-5-6-22/h9,15,22H,3-7H2,1-2H3,(H,12,14)(H,13,16)(H2,17,18,19)/t9-/m0/s1
InChIKeyJDMUPRLRUUMCTL-VIFPVBQESA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC(C)(CO[P](O)(O)=O)[C@@H](O)C(=O)NCCC(=O)NCCS
ACDLabs 10.04O=C(NCCS)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O
OpenEye OEToolkits 1.5.0CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O
OpenEye OEToolkits 1.5.0CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O
CACTVS 3.341CC(C)(CO[P](O)(O)=O)[CH](O)C(=O)NCCC(=O)NCCS
FormulaC11 H23 N2 O7 P S
Name4'-PHOSPHOPANTETHEINE
ChEMBL
DrugBankDB03912
ZINC
PDB chain6ql9 Chain C Residue 1901 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6ql9 Discovery of a Regulatory Subunit of the Yeast Fatty Acid Synthase.
Resolution2.82 Å
Binding residue
(original residue number in PDB)		C1305 F1376 S1417 P1419 A1420 H1542 T1544 T1546 N1549 F1644
Binding residue
(residue number reindexed from 1)		C1184 F1255 S1296 P1298 A1299 H1421 T1423 T1425 N1428 F1523
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C1305 H1542 E1553 K1578 H1583 F1644 F1646
Catalytic site (residue number reindexed from 1) C1184 H1421 E1432 K1457 H1462 F1523 F1525
Enzyme Commision number 1.1.1.100: 3-oxoacyl-[acyl-carrier-protein] reductase.
2.3.1.41: beta-ketoacyl-[acyl-carrier-protein] synthase I.
2.3.1.86: fatty-acyl-CoA synthase system.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004312 fatty acid synthase activity
GO:0004315 3-oxoacyl-[acyl-carrier-protein] synthase activity
GO:0004316 3-oxoacyl-[acyl-carrier-protein] reductase (NADPH) activity
GO:0004321 fatty-acyl-CoA synthase activity
GO:0005515 protein binding
GO:0008897 holo-[acyl-carrier-protein] synthase activity
GO:0016491 oxidoreductase activity
GO:0016740 transferase activity
GO:0016746 acyltransferase activity
GO:0046872 metal ion binding
Biological Process
GO:0006633 fatty acid biosynthetic process
GO:0042759 long-chain fatty acid biosynthetic process
Cellular Component
GO:0005739 mitochondrion
GO:0005829 cytosol
GO:0005835 fatty acid synthase complex

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6ql9, PDBe:6ql9, PDBj:6ql9
PDBsum6ql9
PubMed32160528
UniProtP19097|FAS2_YEAST Fatty acid synthase subunit alpha (Gene Name=FAS2)

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