Structure of PDB 8fum Chain H Binding Site BS01

Receptor Information

>8fum Chain H (length=364) Species: 1219028 (Rhodococcus wratislaviensis NBRC 100605) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

GTLPAPSVTTGIVDADIHPVPQDGALEPYLDDRWKKHIREYGVRTTTGLQ
FISEYPQMYGGAMRADAWPESGYPGSDRELLRTQLLDKHNIQLGVLQCLA
PGGQTLNPAGQALNQELAAALCRATNDWQLEHLVYPDPRMRAAIPVTFET
PDYAVAEIERVGADPGVVAVLGTSKTLEPLGSRKYWPIYEASVAQNLPIQ
FHLSQGGGHANTGTGWTSYHTEYHTGHVQSFQSQLLSLVLSGTFDRFPTL
KVMFVEGNVAHFAPLIQRMDYTWETLRGELPDLQRKPSEYIRDHIWASTQ
PIDEPEKPEHLAELLEEFCGDNVVFATDYPHFDFDDPETAFPRSFPVDLR
DKILRGNGMRFFGV

Ligand information

Ligand ID

InChI

InChI=1S/Fe/q+3

InChIKey

VTLYFUHAOXGGBS-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04 CACTVS 3.341 OpenEye OEToolkits 1.5.0	[Fe+3]

Formula

Name

FE (III) ION

PDB chain

8fum Chain H Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	8fum Enzymatic Hydroxylation of Aliphatic C-H Bonds by a Mn/Fe Cofactor.
Resolution	1.48 Å
Binding residue (original residue number in PDB)	D25 H27 H211 E265 D337
Binding residue (residue number reindexed from 1)	D16 H18 H202 E256 D328
Annotation score	4

Enzymatic activity

Enzyme Commision number

Gene Ontology

	Molecular Function
GO:0016787	hydrolase activity
GO:0016829	lyase activity
GO:0016831	carboxy-lyase activity
GO:0046872	metal ion binding

	Biological Process
GO:0019748	secondary metabolic process

	Cellular Component
GO:0005737	cytoplasm

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Molecular Function

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Cellular Component

External links

PDB	RCSB:8fum, PDBe:8fum, PDBj:8fum
PDBsum	8fum
PubMed	37471626
UniProt	A0A402C2Q3

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