Structure of PDB 1rya Chain B Binding Site BS01

Receptor Information
>1rya Chain B (length=160) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MMFLRQEDFATVVRSTPLVSLDFIVENSRGEFLLGKRTNRPAQGYWFVPG
GRVQKDETLEAAFERLTMAELGLRLPITAGQFYGVWQHFYDDNFSGTDFT
THYVVLGFRFRVSEEELLLPDEQHDDYRWLTSDALLASDNVHANSRAYFL
AEKRTGVPGL
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 chain1rya Chain B Residue 1002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1rya Structure and mechanism of GDP-mannose glycosyl hydrolase, a Nudix enzyme that cleaves at carbon instead of phosphorus.
Resolution1.3 Å
Binding residue
(original residue number in PDB)		G50 E70 Q123
Binding residue
(residue number reindexed from 1)		G50 E70 Q123
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.1.-
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0008727 GDP-mannose mannosyl hydrolase activity
GO:0016787 hydrolase activity
GO:0030145 manganese ion binding
GO:0042802 identical protein binding
GO:0042803 protein homodimerization activity
GO:0046872 metal ion binding
GO:0047917 GDP-glucosidase activity
Biological Process
GO:0009103 lipopolysaccharide biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:1rya, PDBe:1rya, PDBj:1rya
PDBsum1rya
PubMed15274914
UniProtP32056|GMM_ECOLI GDP-mannose mannosyl hydrolase (Gene Name=gmm)

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