Structure of PDB 4ghd Chain B Binding Site BS01

Receptor Information

>4ghd Chain B (length=360) Species: 47914 (Brevibacterium fuscum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

NEIPKPVAPAPDILRCAYAELVVTDLAKSRNFYVDVLGLHVSYEDENQIY
LRSFEEFIHHNLVLTKGPVAALKAMAFRVRTPEDVDKAEAYYQELGCRTE
RRKDGFVKGIGDALRVEDPLGFPYEFFFETTHVERLHMRYDLYSAGELVR
LDHFNQVTPDVPRGRKYLEDLGFRVTEDIQDDEGTTYAAWMHRKGTVHDT
ALTGGNGPRLHHVAFSTHEKHNIIQICDKMGALRISDRIERGPGRHGVSN
AFYLFILDPDNHRIEIYTQDYYTGDPDNPTITWNVHDNQRRDWWGNPVVP
SWYTEASKVLDLDGNVQEIIERTDDSELEVTIGADGFSFTRAGDEDGSYH
GQASKGFKLG

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

4ghd Chain B Residue 401 [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	4ghd Structural basis for the role of tyrosine 257 of homoprotocatechuate 2,3-dioxygenase in substrate and oxygen activation.
Resolution	1.85 Å
Binding residue (original residue number in PDB)	H155 H214 E267
Binding residue (residue number reindexed from 1)	H153 H212 E265
Annotation score	1

Enzymatic activity

Catalytic site (original residue number in PDB)	H155 H200 H214 H248 F257 E267
Catalytic site (residue number reindexed from 1)	H153 H198 H212 H246 F255 E265
Enzyme Commision number	1.13.11.15: 3,4-dihydroxyphenylacetate 2,3-dioxygenase.

Gene Ontology

	Molecular Function
GO:0046872	metal ion binding
GO:0051213	dioxygenase activity

View graph for
Molecular Function

External links

PDB	RCSB:4ghd, PDBe:4ghd, PDBj:4ghd
PDBsum	4ghd
PubMed	23066739
UniProt	Q45135

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