Structure of PDB 7etk Chain B Binding Site BS02

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 IDFE2
InChIInChI=1S/Fe/q+2
InChIKeyCWYNVVGOOAEACU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Fe+2]
CACTVS 3.341[Fe++]
FormulaFe
NameFE (II) ION
ChEMBL
DrugBankDB14510
ZINC
PDB chain7etk Chain B Residue 402 [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)		H129 D131 H205
Binding residue
(residue number reindexed from 1)		H125 D127 H201
Annotation score1
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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