Structure of PDB 1nr9 Chain B Binding Site BS01

Receptor Information
>1nr9 Chain B (length=210) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MYQHHNWQGALLDYPVSKVVCVGSNYAVPEEPVLFIKPETALCDLRQPLA
IPSDFGSVHHEVELAVLIGATLRQATEEHVRKAIAGYGVALDLTLRDVQG
KMKKAGQPWEKAKAFDNSCPLSGFIPAAEFTGDPQNTTLSLSVNGEQRQQ
GTTADMIHKIVPLIAYMSKFFTLKAGDVVLTGTPDGVGPLQSGDELTVTF
DGHSLTTRVL
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain1nr9 Chain B Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1nr9 Crystal Structure of Escherichia coli Putative Isomerase EC1262 (APC5008)
Resolution2.7 Å
Binding residue
(original residue number in PDB)		E70 E72 D101
Binding residue
(residue number reindexed from 1)		E61 E63 D92
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016853 isomerase activity
GO:0018773 acetylpyruvate hydrolase activity
GO:0046872 metal ion binding
GO:0050163 oxaloacetate tautomerase activity
Biological Process
GO:0006107 oxaloacetate metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:1nr9, PDBe:1nr9, PDBj:1nr9
PDBsum1nr9
PubMed
UniProtP76004|YCGM_ECOLI Oxaloacetate tautomerase YcgM (Gene Name=ycgM)

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