Structure of PDB 2gmw Chain B Binding Site BS01

Receptor Information
>2gmw Chain B (length=184) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVPAIFLDRDGTINVDHGYVHEIDNFEFIDGVIDAMRELKKMGFALVVVT
NQSGIARGKFTEAQFETLTEWMDWSLADRDVDLDGIYYCPHHPQGSVEEF
RQVCDCRKPHPGMLLSARDYLHIDMAASYMVGDKLEDMQAAVAANVGTKV
LVRTGKPITPEAENAADWVLNSLADLPQAIKKQQ
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain2gmw Chain B Residue 300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2gmw Structural and kinetic characterization of the LPS biosynthetic enzyme D-alpha,beta-D-heptose-1,7-bisphosphate phosphatase (GmhB) from Escherichia coli.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		C112 H114 C127 C129
Binding residue
(residue number reindexed from 1)		C89 H91 C104 C106
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.82: D-glycero-beta-D-manno-heptose 1,7-bisphosphate 7-phosphatase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0008270 zinc ion binding
GO:0016787 hydrolase activity
GO:0016791 phosphatase activity
GO:0034200 D-glycero-beta-D-manno-heptose 1,7-bisphosphate 7-phosphatase activity
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0009103 lipopolysaccharide biosynthetic process
GO:0009244 lipopolysaccharide core region biosynthetic process
GO:0097171 ADP-L-glycero-beta-D-manno-heptose biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2gmw, PDBe:2gmw, PDBj:2gmw
PDBsum2gmw
PubMed20050699
UniProtP63228|GMHBB_ECOLI D-glycero-beta-D-manno-heptose-1,7-bisphosphate 7-phosphatase (Gene Name=gmhB)

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