Structure of PDB 3zxo Chain A Binding Site BS01

Receptor Information

>3zxo Chain A (length=125) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

TRLRQRIDAAVAQFADSGLRTSVQFVGPLSVVDSALADQAEAVVREAVSN
AVRHAAASTLTVRVKVDDDLCIEVTDNGRGMPDEFTGSGLTNLRQRAEQA
GGEFTLASMPGASGTVLRWSAPLSQ

Ligand information

InChI=1S/Zn/q+2

PTFCDOFLOPIGGS-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Zn++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Zn+2]

Formula

Zn

Name

ZINC ION

PDB chain

3zxo Chain A Residue 1579 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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PDB	3zxo Activation of ATP Binding for the Autophosphorylation of Doss, a Mycobacterium Tuberculosis Histidine Kinase Lacking an ATP-Lid Motif.
Resolution	1.9 Å
Binding residue (original residue number in PDB)	H507 D529 E537
Binding residue (residue number reindexed from 1)	H54 D76 E84
Annotation score	4

Enzymatic activity

Enzyme Commision number

2.7.13.3: histidine kinase.

External links

PDB	RCSB:3zxo, PDBe:3zxo, PDBj:3zxo
PDBsum	3zxo
PubMed	23486471
UniProt	P9WGK3\|DEVS_MYCTU Oxygen sensor histidine kinase response regulator DevS/DosS (Gene Name=devS)

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