Structure of PDB 7etl Chain B Binding Site BS02

Receptor Information
>7etl Chain B (length=285) Species: 746128 (Aspergillus fumigatus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPQLQRLAADADVDRMCRLLEEDGAFILKGLLPFDVVESFNRELDVQMAI
PPPKGERLLADKFPPHFKYVPNVATTCPTFRNTVLINPVIHAICEAYFQR
TGDYWLSAAFLREIESGMPAQPFHRDDATHPLMHYQPLEAPPVSLSVIFP
LTEFTEENGATEVILGSHRWTEVGTPERDQAVLATMDPGDVLIVRQRVVH
AGGGNRTTAGKPRRVVLAYFNSVQLTPFETYRTMPREMVESMTVLGQRML
GWRTMKPSDPNIVGINLIDDKRLENVLQLKAADSP
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 chain7etl Chain B Residue 404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7etl Structural Insight into the Catalytic Mechanism of the Endoperoxide Synthase FtmOx1.
Resolution1.99213 Å
Binding residue
(original residue number in PDB)		E182 D184
Binding residue
(residue number reindexed from 1)		E177 D179
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:7etl, PDBe:7etl, PDBj:7etl
PDBsum7etl
PubMed34796596
UniProtQ4WAW9|FTMF_ASPFU Verruculogen synthase (Gene Name=ftmOx1)

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