Structure of PDB 3l8h Chain D Binding Site BS02

Receptor Information

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

MKLIILDRDGVVNQDSDAFVKSPDEWIALPGSLQAIARLTQADWTVVLAT
NQSGLARGLFDTATLNAIHDKMHRALAQMGGVVDAIFMCPHGPDDGCACR
KPLPGMYRDIARRYDVDLAGVPAVGDSLRDLQAAAQAGCAPWLVQTGNGR
KTLAQGGLPEGTRVCEDLAAVAEQLLQEA

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 3l8h Chain D Residue 904

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): C89 H91 C97 C99
• Binding residue (residue number reindexed from 1): C89 H91 C97 C99
• 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)