Structure of PDB 3qxb Chain D Binding Site BS01

Receptor Information
>3qxb Chain D (length=296) Species: 269796 (Rhodospirillum rubrum ATCC 11170) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GMKLGVNLCFAVKRWLEPDRLAGLVRDDLGLEYVQYTYDLTDPWWPDIER
DRRAIAYAKAFRKAGLTIESTFGGLASYTYNHFLAPTLELQSLGYQHLKR
AIDMTAAMEVPATGMPFGSYSAADALNPARREEIYAIARDMWIELAAYAK
RQGLSMLYVEPVPLATEFPSSAADAARLMADLDGRTEIPVRLLVDWGHAL
FEPLFGPEADMDHWMDLCQPWIAAYHIQQTDGQLDRHWSFTQPGVVTPQR
LQDFWDKYALTDQTFFAEILYPFEARDEDVLADMIASVKALKAASP
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain3qxb Chain D Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3qxb Crystal structure of a Putative Xylose isomerase (YP_426450.1) from RHODOSPIRILLUM RUBRUM ATCC 11170 at 1.90 A resolution
Resolution1.9 Å
Binding residue
(original residue number in PDB)		E159 D194 H225 E267
Binding residue
(residue number reindexed from 1)		E160 D195 H226 E268
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016853 isomerase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:3qxb, PDBe:3qxb, PDBj:3qxb
PDBsum3qxb
PubMed
UniProtQ2RUN2

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