Structure of PDB 4ghg Chain B Binding Site BS02

Receptor Information

>4ghg 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
AFYLYILDPDNHRIEIYTQDYYTGDPDNPTITWNVHDNQRRDWWGNPVVP
SWYTEASKVLDLDGNVQEIIERTDDSELEVTIGADGFSFTRAGDEDGSYH
GQASKGFKLG

Ligand information

Ligand ID

InChI

InChI=1S/Ca/q+2

InChIKey

BHPQYMZQTOCNFJ-UHFFFAOYSA-N

SMILES

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

Formula

Name

CALCIUM ION

PDB chain

4ghg Chain B 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	4ghg Structural basis for the role of tyrosine 257 of homoprotocatechuate 2,3-dioxygenase in substrate and oxygen activation.
Resolution	1.5 Å
Binding residue (original residue number in PDB)	D184 E185
Binding residue (residue number reindexed from 1)	D182 E183
Annotation score	1

Enzymatic activity

Catalytic site (original residue number in PDB)	H155 H200 H214 H248 Y257 E267
Catalytic site (residue number reindexed from 1)	H153 H198 H212 H246 Y255 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:4ghg, PDBe:4ghg, PDBj:4ghg
PDBsum	4ghg
PubMed	23066739
UniProt	Q45135

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