Structure of PDB 6oxh Chain A Binding Site BS02

Receptor Information
>6oxh Chain A (length=285) Species: 330879 (Aspergillus fumigatus Af293) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPQLQRLAADADVDRMCRLLEEDGAFILKGLLPFDVVESFNRELDVQMAI
PPPKGERLLADKYPPHFKYVPNVATTCPTFRNTVLINPVIHAICEAYFQR
TGDYWLSAAFLREIESGMPAQPFHRDDATHPLMHFQPLEAPPVSLSVIFP
LTEFTEENGATEVILGSHRWTEVGTPERDQAVLATMDPGDVLIVRQRVVH
AGGGNRTTAGKPRRVVLAYFNSVQLTPFETYRTMPREMVESMTVLGQRML
GWRTMKPSDPNIVGINLIDDKRLENVLQLKAADSP
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 chain6oxh Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6oxh Hydrogen Donation but not Abstraction by a Tyrosine (Y68) during Endoperoxide Installation by Verruculogen Synthase (FtmOx1).
Resolution1.92 Å
Binding residue
(original residue number in PDB)		Q126 H205 G207 R218 L222
Binding residue
(residue number reindexed from 1)		Q121 H200 G202 R213 L217
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:6oxh, PDBe:6oxh, PDBj:6oxh
PDBsum6oxh
PubMed31117657
UniProtQ4WAW9|FTMF_ASPFU Verruculogen synthase (Gene Name=ftmOx1)

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