Structure of PDB 2vzw Chain B Binding Site BS02

Receptor Information
>2vzw Chain B (length=149) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GKLDATLRAIVHTAAELVDARYGALGVRGYDHRLVEFVYEGIDEETRHLI
GSLPEGRGVLGALIEEPKPIRLDDISRHPASVGFPLHHPPMRTFLGVPVR
IRDEVFGNLYLTEKADGQPFSDDDEVLVQALAAAAGIAVDNARLFEESR
Ligand information
Ligand IDOXY
InChIInChI=1S/O2/c1-2
InChIKeyMYMOFIZGZYHOMD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		O=O
FormulaO2
NameOXYGEN MOLECULE
ChEMBLCHEMBL1234886
DrugBankDB09140
ZINC
PDB chain2vzw Chain B Residue 1210 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2vzw 2.3 A X-Ray Structure of the Heme-Bound Gaf Domain of Sensory Histidine Kinase Dost of Mycobacterium Tuberculosis.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		P113 Y169
Binding residue
(residue number reindexed from 1)		P54 Y110
Annotation score4
Enzymatic activity
Enzyme Commision number 2.7.13.3: histidine kinase.
External links
PDB RCSB:2vzw, PDBe:2vzw, PDBj:2vzw
PDBsum2vzw
PubMed18980385
UniProtP9WGK1|DOST_MYCTU Oxygen sensor histidine kinase response regulator DosT (Gene Name=dosT)

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