Structure of PDB 3x0r Chain A Binding Site BS01

Receptor Information

>3x0r Chain A (length=154) Species: 300852 (Thermus thermophilus HB8)

ERTYLYRGRILNLALEGRYEIVEHKPAVAVIALREGRMLFVRQMRPAVGL
APLEIPAGLIEPGEDPLEAARRELAEETGLSGDLTYLFSYFVSPGFTDEK
THVFLAENLKEVEAHAIEVVWMRPEEALERHQRGEVEFSATGLVGVLYYH
AFLR

Ligand information

• Ligand ID: MN
• InChI: InChI=1S/Mn/q+2
• InChIKey: WAEMQWOKJMHJLA-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mn+2]
  CACTVS 3.341: [Mn++]
• Formula: Mn
• Name: MANGANESE (II) ION
• DrugBank: DB06757
• PDB chain: 3x0r Chain A Residue 205

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3x0r ADP-Ribose Pyrophosphatase Reaction in Crystalline State Conducted by Consecutive Binding of Two Manganese(II) Ions as Cofactors
• Resolution: 1.15 Å
• Binding residue (original residue number in PDB): A66 E86
• Binding residue (residue number reindexed from 1): A57 E77
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): R54 A66 E82 E86
• Catalytic site (residue number reindexed from 1): R45 A57 E73 E77
• Enzyme Commision number: 3.6.1.13: ADP-ribose diphosphatase.

Gene Ontology

Molecular Function

• 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:3x0r, PDBe:3x0r, PDBj:3x0r
• PDBsum: 3x0r
• PubMed: 26979298
• UniProt: Q5SKW5