Structure of PDB 9b21 Chain B Binding Site BS03

Receptor Information

>9b21 Chain B (length=202) Species: 573 (Klebsiella pneumoniae)

GITFSKNDVEIIARETLYRGFFSLDLYRFRHRLFNGGMSGEITREIFERG
HAAVLLPFDPVRDEVVLVEQIRIAAYDTSESPWLLEMVAGMIEAGETVED
VARREALEEAGLEVGRTKPILSYLASPGGTSERLSILVGEVDASTAKGIH
GLAEENEDIRVHVVSREQAYQWVEEGKIDNAASVIALQWLQLHYHNLRNE
WT

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: 9b21 Chain B Residue 302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 9b21 Crystal structure of ADP-ribose diphosphatase from Klebsiella pneumoniae (ADP Ribose bound, Orthorhombic P form)
• Resolution: 1.6 Å
• Binding residue (original residue number in PDB): A96 E116
• Binding residue (residue number reindexed from 1): A89 E109
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.6.1.13: ADP-ribose diphosphatase.

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0016787 hydrolase activity
• GO:0016818 hydrolase activity, acting on acid anhydrides, in phosphorus-containing anhydrides
• GO:0019144 ADP-sugar diphosphatase activity
• GO:0046872 metal ion binding
• GO:0047631 ADP-ribose diphosphatase activity

Biological Process

• GO:0006753 nucleoside phosphate metabolic process
• GO:0019693 ribose phosphate metabolic process

External links

• PDB: RCSB:9b21, PDBe:9b21, PDBj:9b21
• PDBsum: 9b21
• UniProt: A0A0H3GVQ7