Structure of PDB 3wr8 Chain A Binding Site BS01

Receptor Information

>3wr8 Chain A (length=408) Species: 13689 (Sphingomonas paucimobilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

AKIIGGFAVSHTPTIAFAHDANKYDDPVWAPIFQGFEPVKQWLAEQKPDV
TFYVYNDHMTSFFEHYSHFALGVGEEYSPADEGGGQRDLPPIKGDPELAK
HIAECLVADEFDLAYWQGMGLDHGAFSPLSVLLPHEHGWPCRIVPLQCGV
LQHPIPKARRFWNFGRSLRRAIQSYPRDIKVAIAGTGGLSHQVHGERAGF
NNTEWDMEFMERLANDPESLLGATVTDLAKKGGWEGAEVVMWLLMRGALS
PEVKTLHQSYFLPSMTAIATMLFEDQGDAAPPAESDEALRARAKRELAGV
EEIEGTYPFTIDRAVKGFRINHFLHRLIEPDFRKRFVEDPEGLFAESDLT
EEEKSLIRNRDWIGMIHYGVIFFMLEKMAAVLGIGNIDVYAAFRGLSVPE
FQKTRNAA

Ligand information

InChI=1S/Fe/q+2

CWYNVVGOOAEACU-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Fe+2]
CACTVS 3.341	[Fe++]

Formula

Name

FE (II) ION

PDB chain

3wr8 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	3wr8 Molecular Mechanism of Strict Substrate Specificity of an Extradiol Dioxygenase, DesB, Derived from Sphingobium sp. SYK-6
Resolution	2.25 Å
Binding residue (original residue number in PDB)	H12 N57 H59 E239
Binding residue (residue number reindexed from 1)	H11 N56 H58 E238
Annotation score	1

Enzymatic activity

Catalytic site (original residue number in PDB)	H12 H59 H192 E239
Catalytic site (residue number reindexed from 1)	H11 H58 H191 E238
Enzyme Commision number	1.13.11.58: linoleate 9S-lipoxygenase.

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:3wr8, PDBe:3wr8, PDBj:3wr8
PDBsum	3wr8
PubMed	24657997
UniProt	G2IKE5

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