Structure of PDB 1mqw Chain A Binding Site BS02

Receptor Information

>1mqw Chain A (length=200) Species: 1773 (Mycobacterium tuberculosis)

DFETISSETLHTGAIFALRRDQVRMPGGGIVTREVVEHFGAVAIVAMDDN
GNIPMVYQYRHTYGRRLWELPAGLLDVAGEPPHLTAARELREEVGLQAST
WQVLVDLDTAPGFSDESVRVYLATGLREVGRPEAHHEEADMTMGWYPIAE
AARRVLRGEIVNSIAIAGVLAVHAVTTGFAQPRPLDTEWIDRPTAFAARR

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: 1mqw Chain A Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1mqw Structure and mechanism of MT-ADPRase, a Nudix hydrolase from Mycobacterium tuberculosis
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): E93 E97 E142
• Binding residue (residue number reindexed from 1): E89 E93 E138
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): R64 A76 E93 E97 E142
• Catalytic site (residue number reindexed from 1): R60 A72 E89 E93 E138
• Enzyme Commision number: 3.6.1.13: ADP-ribose diphosphatase.

Gene Ontology

Molecular Function

• GO:0030145 manganese ion binding
• 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:1mqw, PDBe:1mqw, PDBj:1mqw
• PDBsum: 1mqw
• PubMed: 12906832
• UniProt: O33199