Structure of PDB 7etk Chain B Binding Site BS01

Receptor Information
>7etk Chain B (length=284) Species: 746128 (Aspergillus fumigatus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKPQLQRLAADADVDRMCRLLEEDGAFILKGLLPFDVVESFNRELDVQMA
IPPPKGERLLADKYPPHFKYVPNVATTCPTFRNTVLINPVIHAICEAYFQ
RTGDYWLSAAFLREIESGMPAQPFHRDDATHPLMHYQPLEAPPVSLSVIF
PLTEFTEENGATEVILGSHRWTEVGTPERDQAVLATMDPGDVLIVRQRVV
HAGGGNRTTAGKPRRVVLAYFNSVQLTPFETYRTMPREMVESMTVLGQRM
LGWRTMKPSDPNIVGINLIDDKRLENVLQLKAAD
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 chain7etk Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7etk Structural Insight into the Catalytic Mechanism of the Endoperoxide Synthase FtmOx1.
Resolution1.22027 Å
Binding residue
(original residue number in PDB)		R117 Q126 H129 T166 H205 G207 R218 V220
Binding residue
(residue number reindexed from 1)		R113 Q122 H125 T162 H201 G203 R214 V216
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:7etk, PDBe:7etk, PDBj:7etk
PDBsum7etk
PubMed34796596
UniProtQ4WAW9|FTMF_ASPFU Verruculogen synthase (Gene Name=ftmOx1)

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