Structure of PDB 6oxh Chain B Binding Site BS01

Receptor Information
>6oxh Chain B (length=289) Species: 330879 (Aspergillus fumigatus Af293) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DSKPQLQRLAADADVDRMCRLLEEDGAFILKGLLPFDVVESFNRELDVQM
AIPPPKGERLLADKYPPHFKYVPNVATTCPTFRNTVLINPVIHAICEAYF
QRTGDYWLSAAFLREIESGMPAQPFHRDDATHPLMHFQPLEAPPVSLSVI
FPLTEFTEENGATEVILGSHRWTEVGTPERDQAVLATMDPGDVLIVRQRV
VHAGGGNRTTAGKPRRVVLAYFNSVQLTPFETYRTMPREMVESMTVLGQR
MLGWRTMKPSDPNIVGINLIDDKRLENVLQLKAADSPAL
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 chain6oxh Chain B Residue 301 [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)		H129 D131 H205
Binding residue
(residue number reindexed from 1)		H126 D128 H202
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:6oxh, PDBe:6oxh, PDBj:6oxh
PDBsum6oxh
PubMed31117657
UniProtQ4WAW9|FTMF_ASPFU Verruculogen synthase (Gene Name=ftmOx1)

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