Structure of PDB 2gwg Chain B Binding Site BS01

Receptor Information

>2gwg Chain B (length=326) Species: 258594 (Rhodopseudomonas palustris CGA009) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MIIDIHGHYTTAPKALEDWRNRQIAGIKDPSVMPKVSELKISDDELQASI
IENQLKKMQERGSDLTVFSPRASIGDFNVSSTWAAICNELCYRVSQLFPD
NFIGAAMLPQSPGVDPKTCIPELEKCVKEYGFVAINLNPDPSTSPPLTDR
IWYPIYEKMVELEIPAMIHVSGAHYLNADTTAFMQCVAGDLFKDFPELKF
VIPHGGGAVPYHWGRFRGLAQEMKKPLLEDHVLNNIFFDTCVYHQPGIDL
LNTVIPVDNVLFASEMIGAVRGIDPRTGFYYDDTKRYIEASTILTPEEKQ
QIYEGNARRVYPRLDAALKAKGKLEH

Ligand information

Ligand ID

InChI

InChI=1S/Zn/q+2

InChIKey

PTFCDOFLOPIGGS-UHFFFAOYSA-N

SMILES

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

Formula

Name

ZINC ION

PDB chain

2gwg 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	2gwg Crystal Structure of 4-Oxalomesaconate Hydratase, LigJ, from Rhodopseudomonas palustris, Northeast Structural Genomics Target RpR66
Resolution	1.8 Å
Binding residue (original residue number in PDB)	H6 H8 H178 E284
Binding residue (residue number reindexed from 1)	H6 H8 H169 E265
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:2gwg, PDBe:2gwg, PDBj:2gwg
PDBsum	2gwg
PubMed
UniProt	Q6N0R4

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