Structure of PDB 2rjb Chain A Binding Site BS01

Receptor Information

>2rjb Chain A (length=418) Species: 623 (Shigella flexneri) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

ANSITADEIREQFSQAMSAMYQQEVPQYGTLLELVADVNLAVLENNPQLH
EKMVNADELARLNVERHGAIRVGTAQELATLRRMFAIMGMYPVSYYDLSQ
AGVPVHSTAFRPIDDASLARNPFRVFTSLLRLELIENEILRQKAAEILRQ
RDIFTPRCRQLLEEYEQQGGFNETQAQEFVQEALETFRWHQLATVDEETY
RALHNEHRLIADVVCFPGCHINHLTPRTLDIDRVQSMMPECGIEPKILIE
GPPRREVPILLRQTSFKALEETVLFAGQKQGTHTARFGEIEQRGVALTPK
GRQLYDDLLRNAHQMHLQETFRTFPDSEFLMRQQGLAWFRYRLTPSGEAH
RQAIHPGDDPQPLIERGWVVAQPITYEDFLPVSNASREAFEQALGCPVLD
EFQLYQEAEERSKRRCGL

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

2rjb 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	2rjb Crystal structure of uncharacterized protein YdcJ (SF1787) from Shigella flexneri which includes domain DUF1338.
Resolution	2.6 Å
Binding residue (original residue number in PDB)	H68 H224 E290
Binding residue (residue number reindexed from 1)	H67 H223 E289
Annotation score	1

Enzymatic activity

Enzyme Commision number

1.13.11.93: 2-oxoadipate dioxygenase/decarboxylase.

Gene Ontology

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

View graph for
Molecular Function

External links

PDB	RCSB:2rjb, PDBe:2rjb, PDBj:2rjb
PDBsum	2rjb
PubMed
UniProt	A0A0H2UZX2\|HGLS_SHIFL 2-oxoadipate dioxygenase/decarboxylase (Gene Name=ydcJ)

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