Structure of PDB 6ql6 Chain E Binding Site BS01

Receptor Information
>6ql6 Chain E (length=1757) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKPEVEQELAHILLTELLAYQFASPVRWIETQDVFLKDFNTERVVEIGPS
PTLAGMAQRTLKNKYESYDAALSLHREILCYSKDAKEIYYTPDPIADEPV
KASLLLHVLVAHKLKKSLDSIPMSKTIKDLVGGKSTVQNEILGDLGKEFG
TTPEKPEETPLEELAETFQDTFSGALGKQSSSLLSRLISSKMPGGFTITV
ARKYLQTRWGLPSGRQDGVLLVALSNEPAARLGSEADAKAFLDSMAQKYA
SIVGVDLLEEITKDHKVLARQQLQVLARYLKMDLDNGERKFLKEKDTVAE
LQAQLDYLNAELGEFFVNGVATSFSRKKARTFDSSWNWAKQSLLSLYFEI
IHGVLKNVDREVVSEAINIMNRSNDALIKFMEYHISNTDETKGENYQLVK
TLGEQLIENCKQVLDVDPVYKDVAKPTGPKTAIDKNGNITYSEEPREKVR
KLSQYVQEMALGGPITKESMDVEDALDKDSTKEVASLPNKSTISKTVSST
IPRETIPFLHLRKKTPAGDWKYDRQLSSLFLDGLEKAAFNGVTFKDKYVL
ITGAGKGSIGAEVLQGLLQGGAKVVVTTSRFSKQVTDYYQSIYAKYGAKG
STLIVVPFNQGSKQDVEALIEFIYDTEKNGGLGWDLDAIIPFAAIPEQGI
ELEHIDSKSEFAHRIMLTNILRMMGCVKKQKSARGIETRPAQVILPMSPN
HGTFGGDGMYSESKLSLETLFNRWHSESWANQLTVCGAIIGWTRGTGLMS
ANNIIAEGIEKMGVRTFSQKEMAFNLLGLLTPEVVELCQKSPVMADLNGG
LQFVPELKEFTAKLRKELVETSEVRKAVSIETALEHKVVNGNSADAAYAQ
VEIQPRANIQLDFPELKPYKQVKQIAPAELEGLLDLERVIVVTGFAEVGP
WGSARTRWEMEAFGEFSLEGCVEMAWIMGFISYHNGNLKGRPYTGWVDSK
TKEPVDDKDVKAKYETSILEHSGIRLIEPELFNGYNPEKKEMIQEVIVEE
DLEPFEASKETAEQFKHQHGDKVDIFEIPETGEYSVKLLKGATLYIPKAL
RFDRLVAGQIPTGWNAKTYGISDDIISQVDPITLFVLVSVVEAFIASGIT
DPYEMYKYVHVSEVGNCSGSGMGGVSALRGMFKDRFKDEPVQNDILQESF
INTMSAWVNMLLISSSGPIKTPVGACATSVESVDIGVETILSGKARICIV
GGYDDFQEEGSFEFGNMKATSNTLEEFEHGRTPAEMSRPATTTRNGFMEA
QGAGIQIIMQADLALKMGVPIYGIVAMAATATDKIGRSVPAPGKGILTTA
REHHSSVKYASPNLNMKYRKRQLVTREAQIKDWVENELEALKLEAEEIPS
EDQNEFLLERTREIHNEAESQLRAAQQQWGNDFYKRDPRIAPLRGALATY
GLTIDDLGVASFHGTSTKANDKNESATINEMMKHLGRSEGNPVIGVFQKF
LTGHPKGAAGAWMMNGALQILNSGIIPGNRNADNVDKILEQFEYVLYPSK
TLKTDGVRAVSITSFGFGQKGGQAIVVHPDYLYGAITEDRYNEYVAKVSA
REKSAYKFFHNGMIYNKLFVSKEHAPYTDELEEDVYLDPLARVSKDKKSG
SLTFNSKNIQSKDSYINANTIETAKMIENMTKEKVSNGGVGVDVELITSI
NVENDTFIERNFTPQEIEYCSAQPSVQSSFAGTWSAKEAVFKSLGVKSLG
GGAALKDIEIVRVNKNAPAVELHGNAKKAAEEAGVTDVKVSISHDDLQAV
AVAVSTK
Ligand information
Ligand IDJ8T
InChIInChI=1S/C6H14NO6P/c1-6(2,4(8)5(7)9)3-13-14(10,11)12/h4,8H,3H2,1-2H3,(H2,7,9)(H2,10,11,12)/t4-/m0/s1
InChIKeyUUMQHJQLVJSTLV-BYPYZUCNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(C)(COP(=O)(O)O)C(C(=O)N)O
CACTVS 3.385CC(C)(CO[P](O)(O)=O)[CH](O)C(N)=O
CACTVS 3.385CC(C)(CO[P](O)(O)=O)[C@@H](O)C(N)=O
OpenEye OEToolkits 2.0.7CC(C)(COP(=O)(O)O)[C@H](C(=O)N)O
FormulaC6 H14 N O6 P
Name[(3~{R})-4-azanyl-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate
ChEMBL
DrugBank
ZINC
PDB chain6ql6 Chain B 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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PDB6ql6 Discovery of a Regulatory Subunit of the Yeast Fatty Acid Synthase.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		S1417 P1419
Binding residue
(residue number reindexed from 1)		S1288 P1290
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) C1176 H1413 E1424 K1449 H1454 F1515 F1517
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:6ql6, PDBe:6ql6, PDBj:6ql6
PDBsum6ql6
PubMed32160528
UniProtP19097|FAS2_YEAST Fatty acid synthase subunit alpha (Gene Name=FAS2)

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