Structure of PDB 4y5t Chain B Binding Site BS02

Receptor Information
>4y5t Chain B (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
TGDYWLSAAFLREIESGMPAQPFHRDDATHPLMHYQPLEAPPVSLSVIFP
LTEFTEENGATEVILGSHRWTEVGTPERDQAVLATMDPGDVLIVRQRVVH
AGGGNRTTAGKPRRVVLAYFNSVQLTPFETYRTMPREMVESMTVLGQRML
GWRTMKPSDPNIVGINLIDDKRLENVLQLKAADSP
Ligand information
Ligand IDCO
InChIInChI=1S/Co/q+2
InChIKeyXLJKHNWPARRRJB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Co+2]
CACTVS 3.341[Co++]
FormulaCo
NameCOBALT (II) ION
ChEMBL
DrugBankDB14205
ZINC
PDB chain4y5t Chain B Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4y5t Endoperoxide formation by an alpha-ketoglutarate-dependent mononuclear non-haem iron enzyme.
Resolution1.949 Å
Binding residue
(original residue number in PDB)		E186 D188
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:4y5t, PDBe:4y5t, PDBj:4y5t
PDBsum4y5t
PubMed26524521
UniProtQ4WAW9|FTMF_ASPFU Verruculogen synthase (Gene Name=ftmOx1)

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