Structure of PDB 7wsb Chain D Binding Site BS03

Receptor Information
>7wsb Chain D (length=287) Species: 330879 (Aspergillus fumigatus Af293) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DSKPQLQRLAADADVDRMCRLLEEDGAFILKGLLPFDVVESFNRELDVQM
AIPPPKGERLLADKYPPHFKYVPNVATTCPTFRNTVLINPVIHAICEAYF
QRTGDYWLSAAFLREIESGMPAQPFHRDDATHPLMHYQPLEAPPVSLSVI
FPLTEFTEENGATEVILGSHRWTEVGTPERDQAVLATMDPGDVLIVRQRV
VHAGGGNRTTAGKPRRVVLAYFNSVQLTPFETYRTMPREMVESMTVLGQR
MLGWRTMKPSDPNIVGINLIDDKRLENVLQLKAADSP
Ligand information
Ligand IDAKG
InChIInChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)
InChIKeyKPGXRSRHYNQIFN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(=O)CCC(=O)O
OpenEye OEToolkits 1.7.6C(CC(=O)O)C(=O)C(=O)O
CACTVS 3.385OC(=O)CCC(=O)C(O)=O
FormulaC5 H6 O5
Name2-OXOGLUTARIC ACID
ChEMBLCHEMBL1686
DrugBankDB08845
ZINCZINC000001532519
PDB chain7wsb Chain D Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7wsb Dissecting the Mechanism of the Nonheme Iron Endoperoxidase FtmOx1 Using Substrate Analogues.
Resolution2.87 Å
Binding residue
(original residue number in PDB)		R117 Q126 H129 T166 H205 G207 R218
Binding residue
(residue number reindexed from 1)		R114 Q123 H126 T163 H202 G204 R215
Annotation score5
Enzymatic activity
Enzyme Commision number 1.14.11.38: verruculogen synthase.
Gene Ontology
Molecular Function
GO:0051213 dioxygenase activity
Biological Process
GO:1902181 verruculogen biosynthetic process
Cellular Component
GO:0005575 cellular_component

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7wsb, PDBe:7wsb, PDBj:7wsb
PDBsum7wsb
PubMed35911443
UniProtQ4WAW9|FTMF_ASPFU Verruculogen synthase (Gene Name=ftmOx1)

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