Structure of PDB 3l8h Chain B Binding Site BS01

Receptor Information

>3l8h Chain B (length=179) Species: 518 (Bordetella bronchiseptica)

MKLIILDRDGVVNQDSDAFVKSPDEWIALPGSLQAIARLTQADWTVVLAT
NQSGLARGLFDTATLNAIHDKMHRALAQMGGVVDAIFMCPHGPDDGCACR
KPLPGMYRDIARRYDVDLAGVPAVGDSLRDLQAAAQAGCAPWLVQTGNGR
KTLAQGGLPEGTRVCEDLAAVAEQLLQEA

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 3l8h Chain B Residue 802

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3l8h Structural Determinants of Substrate Recognition in the HAD Superfamily Member d-glycero-d-manno-Heptose-1,7-bisphosphate Phosphatase (GmhB) .
• Resolution: 1.68 Å
• Binding residue (original residue number in PDB): D7 D9 D126
• Binding residue (residue number reindexed from 1): D7 D9 D126
• 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:0009244 lipopolysaccharide core region biosynthetic process
• GO:0097171 ADP-L-glycero-beta-D-manno-heptose biosynthetic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:3l8h, PDBe:3l8h, PDBj:3l8h
• PDBsum: 3l8h
• PubMed: 20050614
• UniProt: Q7WG29|GMHBB_BORBR D-glycero-beta-D-manno-heptose-1,7-bisphosphate 7-phosphatase (Gene Name=BB4091)