Structure of PDB 6ql9 Chain E Binding Site BS02

Receptor Information
>6ql9 Chain E (length=1759) 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
VRKLSQYVQEMALGGPITKESMDVEDALDKDSTKEVASLPNKSTISKTVS
STIPRETIPFLHLRKKTPAGDWKYDRQLSSLFLDGLEKAAFNGVTFKDKY
VLITGAGKGSIGAEVLQGLLQGGAKVVVTTSRFSKQVTDYYQSIYAKYGA
KGSTLIVVPFNQGSKQDVEALIEFIYDTEKNGGLGWDLDAIIPFAAIPEQ
GIELEHIDSKSEFAHRIMLTNILRMMGCVKKQKSARGIETRPAQVILPMS
PNHGTFGGDGMYSESKLSLETLFNRWHSESWANQLTVCGAIIGWTRGTGL
MSANNIIAEGIEKMGVRTFSQKEMAFNLLGLLTPEVVELCQKSPVMADLN
GGLQFVPELKEFTAKLRKELVETSEVRKAVSIETALEHKVVNGNSADAAY
AQVEIQPRANIQLDFPELKPYKQVKQIAPAELEGLLDLERVIVVTGFAEV
GPWGSARTRWEMEAFGEFSLEGCVEMAWIMGFISYHNGNLKGRPYTGWVD
SKTKEPVDDKDVKAKYETSILEHSGIRLIEPELFNGYNPEKKEMIQEVIV
EEDLEPFEASKETAEQFKHQHGDKVDIFEIPETGEYSVKLLKGATLYIPK
ALRFDRLVAGQIPTGWNAKTYGISDDIISQVDPITLFVLVSVVEAFIASG
ITDPYEMYKYVHVSEVGNCSGSGMGGVSALRGMFKDRFKDEPVQNDILQE
SFINTMSAWVNMLLISSSGPIKTPVGACATSVESVDIGVETILSGKARIC
IVGGYDDFQEEGSFEFGNMKATSNTLEEFEHGRTPAEMSRPATTTRNGFM
EAQGAGIQIIMQADLALKMGVPIYGIVAMAATATDKIGRSVPAPGKGILT
TAREHHSSVKYASPNLNMKYRKRQLVTREAQIKDWVENELEALKLEAEEI
PSEDQNEFLLERTREIHNEAESQLRAAQQQWGNDFYKRDPRIAPLRGALA
TYGLTIDDLGVASFHGTSTKANDKNESATINEMMKHLGRSEGNPVIGVFQ
KFLTGHPKGAAGAWMMNGALQILNSGIIPGNRNADNVDKILEQFEYVLYP
SKTLKTDGVRAVSITSFGFGQKGGQAIVVHPDYLYGAITEDRYNEYVAKV
SAREKSAYKFFHNGMIYNKLFVSKEHAPYTDELEEDVYLDPLARVSKDKK
SGSLTFNSKNIQSKDSYINANTIETAKMIENMTKEKVSNGGVGVDVELIT
SINVENDTFIERNFTPQEIEYCSAQPSVQSSFAGTWSAKEAVFKSLGVKS
LGGGAALKDIEIVRVNKNAPAVELHGNAKKAAEEAGVTDVKVSISHDDLQ
AVAVAVSTK
Ligand information
Ligand IDA2P
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(25-27(20,21)22)6(16)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1
InChIKeyAEOBEOJCBAYXBA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O[P](O)(O)=O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)OP(=O)(O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O[P](O)(O)=O
ACDLabs 10.04O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(OP(=O)(O)O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)OP(=O)(O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-2'-5'-DIPHOSPHATE
ChEMBLCHEMBL1161861
DrugBankDB02098
ZINCZINC000004096223
PDB chain6ql9 Chain E Residue 1917 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6ql9 Discovery of a Regulatory Subunit of the Yeast Fatty Acid Synthase.
Resolution2.82 Å
Binding residue
(original residue number in PDB)		G682 S708 A772 A773
Binding residue
(residue number reindexed from 1)		G555 S581 A645 A646
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) C1305 H1542 E1553 K1578 H1583 F1644 F1646
Catalytic site (residue number reindexed from 1) C1178 H1415 E1426 K1451 H1456 F1517 F1519
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

View graph for
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)

[Back to BioLiP]