Structure of PDB 3l8e Chain B Binding Site BS01

Receptor Information
>3l8e Chain B (length=183) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVPAIFLDRDGTINVDHGYVHEIDNFEFIDGVIDAMRELKKMGFALVVVT
NQSGIARGKFTEAQFETLTEWMDWSLADRDVDLDGIYYCPHHPQGSVEEF
RQVCDCRKPHPGMLLSARDYLHIDMAASYMVGDKLEDMQAAVAANVGTKV
LVRTGKPITPEAENAADWVLNSLADLPQAIKKQ
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 chain3l8e Chain B Residue 802 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3l8e Structural Determinants of Substrate Recognition in the HAD Superfamily Member d-glycero-d-manno-Heptose-1,7-bisphosphate Phosphatase (GmhB) .
Resolution1.64 Å
Binding residue
(original residue number in PDB)		C92 H94 C107 C109
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:3l8e, PDBe:3l8e, PDBj:3l8e
PDBsum3l8e
PubMed20050614
UniProtP63228|GMHBB_ECOLI D-glycero-beta-D-manno-heptose-1,7-bisphosphate 7-phosphatase (Gene Name=gmhB)

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