Structure of PDB 8pno Chain A Binding Site BS03

Receptor Information
>8pno Chain A (length=202) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLYIFDLGNVIVDIDFNRVLGAWSDLTRIPLASLKKSFHMGEAFHQHERG
EISDEAFAEALCHEMALPLSYEQFSHGWQAVFVALRPEVIAIMHKLREQG
HRVVVLSNTNRLHTTFWPEEYPEIRDAADHIYLSQDLGMRKPEARIYQHV
LQAEGFSPSDTVFFDDNADNIEGANQLGITSILVKDKTTIPDYFAKVLCL
EH
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain8pno Chain A Residue 309 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8pno The MgF3(H2O)- transition state analog complex of E. coli YihX
Resolution2.2 Å
Binding residue
(original residue number in PDB)		T115 E120
Binding residue
(residue number reindexed from 1)		T115 E120
Annotation score1
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0008877 glucose-1-phosphatase activity
GO:0016787 hydrolase activity
GO:0030145 manganese ion binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:8pno, PDBe:8pno, PDBj:8pno
PDBsum8pno
PubMed
UniProtP0A8Y3|YIHX_ECOLI Alpha-D-glucose 1-phosphate phosphatase YihX (Gene Name=yihX)

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