Structure of PDB 3esr Chain A Binding Site BS02

Receptor Information

>3esr Chain A (length=182) Species: 83333 (Escherichia coli K-12)

SVPAIFLDRDGTINVDHGYVHEIDNFEFIDGVIDAMRELKKMGFALVVVT
NQSGIARGKFTEAQFETLTEWMDWSLADRDVDLDGIYYCPHHPQGSVEEF
RQVCDCRKPHPGMLLSARDYLHIDMAASYMVGDKLEDMQAAVAANVGTKV
LVRTGKPITPEAENAADWVLNSLADLPQAIKK

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 3esr Chain A Residue 213

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3esr Crystal Structure of D,D-heptose 1.7-bisphosphate phosphatase from E. Coli.
• Resolution: 1.95 Å
• Binding residue (original residue number in PDB): D31 D33 D156
• Binding residue (residue number reindexed from 1): D8 D10 D133
• Annotation score: 1

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

External links

• PDB: RCSB:3esr, PDBe:3esr, PDBj:3esr
• PDBsum: 3esr
• UniProt: P63228|GMHBB_ECOLI D-glycero-beta-D-manno-heptose-1,7-bisphosphate 7-phosphatase (Gene Name=gmhB)