Structure of PDB 3l8h Chain B Binding Site BS04

Receptor Information

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

MKLIILDRDGVVNQDSDAFVKSPDEWIALPGSLQAIARLTQADWTVVLAT
NQSGLARGLFDTATLNAIHDKMHRALAQMGGVVDAIFMCPHGPDDGCACR
KPLPGMYRDIARRYDVDLAGVPAVGDSLRDLQAAAQAGCAPWLVQTGNGR
KTLAQGGLPEGTRVCEDLAAVAEQLLQEA

Ligand information

• Ligand ID: PO4
• InChI: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
• InChIKey: NBIIXXVUZAFLBC-UHFFFAOYSA-K
• SMILES:
  CACTVS 3.341: [O-][P]([O-])([O-])=O
  ACDLabs 10.04: [O-]P([O-])([O-])=O
  OpenEye OEToolkits 1.5.0: [O-]P(=O)([O-])[O-]
• Formula: O4 P
• Name: PHOSPHATE ION
• DrugBank: DB14523
• PDB chain: 3l8h Chain B Residue 2005

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): F19 S53 R57 R100 R129
• Binding residue (residue number reindexed from 1): F19 S53 R57 R100 R129
• 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)