Structure of PDB 2gwr Chain A Binding Site BS01

Receptor Information

>2gwr Chain A (length=225) Species: 1773 (Mycobacterium tuberculosis)

DTMRQRILVVDDDASLAEMLTIVLRGEGFDTAVIGDGTQALTAVRELRPD
LVLLDLMLPGMNGIDVCRVLRADSGVPIVMLTAKTDTVDVVLGLESGADD
YIMKPFKPKELVARVRARLRRNDDEPAEMLSIADVEIDVPAHKVTRNGEQ
ISLTPLEFDLLVALARKPRQVFTRDVLLEQVWGYRADTRLVNVHVQRLRA
KVEKDPENPTVVLTVRGVGYKAGPP

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 2gwr Chain A Residue 2644

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2gwr Domain orientation in the inactive response regulator Mycobacterium tuberculosis MtrA provides a barrier to activation.
• Resolution: 2.1 Å
• Binding residue (original residue number in PDB): D13 D56 M58
• Binding residue (residue number reindexed from 1): D12 D55 M57
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0000156 phosphorelay response regulator activity
• GO:0000976 transcription cis-regulatory region binding
• GO:0003677 DNA binding
• GO:0046872 metal ion binding

Biological Process

• GO:0000160 phosphorelay signal transduction system
• GO:0006355 regulation of DNA-templated transcription
• GO:0045893 positive regulation of DNA-templated transcription
• GO:0051701 biological process involved in interaction with host

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol
• GO:0005886 plasma membrane
• GO:0032993 protein-DNA complex

External links

• PDB: RCSB:2gwr, PDBe:2gwr, PDBj:2gwr
• PDBsum: 2gwr
• PubMed: 17511470
• UniProt: P9WGM7|MTRA_MYCTU DNA-binding response regulator MtrA (Gene Name=mtrA)