Structure of PDB 1v8v Chain A Binding Site BS01

Receptor Information

>1v8v Chain A (length=154) Species: 274 (Thermus thermophilus)

RTYLYRGRILNLALEGRYEIVEHKPAVAVIALREGRMLFVRQMRPAVGLA
PLEIPAGLIEPGEDPLEAARRELAEQTGLSGDLTYLFSYFVSPGFTDEKT
HVFLAENLKEVEAEAIEVVWMRPEEALERHQRGEVEFSATGLVGVLYYHA
FLRG

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: 1v8v Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1v8v Structural insights into the Thermus thermophilus ADP-ribose pyrophosphatase mechanism via crystal structures with the bound substrate and metal
• Resolution: 1.97 Å
• Binding residue (original residue number in PDB): L68 R81 E82
• Binding residue (residue number reindexed from 1): L58 R71 E72
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): R54 A66 E82 Q86
• Catalytic site (residue number reindexed from 1): R44 A56 E72 Q76
• Enzyme Commision number: 3.6.1.13: ADP-ribose diphosphatase.

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0016462 pyrophosphatase activity
• GO:0016787 hydrolase activity
• GO:0046872 metal ion binding

Biological Process

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

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:1v8v, PDBe:1v8v, PDBj:1v8v
• PDBsum: 1v8v
• PubMed: 15210687
• UniProt: Q84CU3