Structure of PDB 3wr4 Chain A Binding Site BS01

Receptor Information

>3wr4 Chain A (length=407) Species: 627192 (Sphingobium sp. SYK-6) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

AKIIGGFAVSHTPTIAFAHDDPVWAPIFQGFEPVKQWLAEQKPDVTFYVY
NDHMTSFFEHYSHFALGVGEEYSPADEGGGQRDLPPIKGDPELAKHIAEC
LVADEFDLAYWQGMGLDHGAFSPLSVLLPHEHGWPCRIVPLQCGVLQHPI
PKARRFWNFGRSLRRAIQSYPRDIKVAIAGTGGLSHQVHGERAGFNNTEW
DMEFMERLANDPESLLGATVTDLAKKGGWEGAEVVMWLLMRGALSPEVKT
LHQSYFLPSMTAIATMLFEDQGDAAPPAESDEALRARAKRELAGVEEIEG
TYPFTIDRAVKGFRINHFLHRLIEPDFRKRFVEDPEGLFAESDLTEEEKS
LIRNRDWIGMIHYGVIFFMLEKMAAVLGIGNIDVYAAFRGLSVPEFQKTR
NAAITYS

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

3wr4 Chain A Residue 501 [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	3wr4 Molecular Mechanism of Strict Substrate Specificity of an Extradiol Dioxygenase, DesB, Derived from Sphingobium sp. SYK-6
Resolution	2.4 Å
Binding residue (original residue number in PDB)	H12 N57 H59 E239
Binding residue (residue number reindexed from 1)	H11 N51 H53 E233
Annotation score	4

Enzymatic activity

Catalytic site (original residue number in PDB)	H12 H59 H192 E239
Catalytic site (residue number reindexed from 1)	H11 H53 H186 E233
Enzyme Commision number	1.13.11.-

Gene Ontology

	Molecular Function
GO:0008198	ferrous iron binding
GO:0016491	oxidoreductase activity
GO:0046872	metal ion binding
GO:0051213	dioxygenase activity

View graph for
Molecular Function

External links

PDB	RCSB:3wr4, PDBe:3wr4, PDBj:3wr4
PDBsum	3wr4
PubMed	24657997
UniProt	G2IKE5

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