Structure of PDB 1txo Chain A Binding Site BS01

Receptor Information
>1txo Chain A (length=235) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LVLRYAARSDRGLVRANNEDSVYAGARLLALADGMGGHAAGEVASQLVIA
ALAHLDDDEPGGDLLAKLDAAVRAGNSAIAAQVEMEPDLEGMGTTLTAIL
FAGNRLGLVHIGDSRGYLLRDGELTQITKDDTFVQTLVDEGRITPEEAHS
HPQRSLIMRALTGHEVEPTLTMREARAGDRYLLCSDGLSDPVSDETILEA
LQIPEVAESAHRLIELALRGGGPDNVTVVVADLEH
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain1txo Chain A Residue 700 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1txo An Alternate Conformation and a Third Metal in PstP/Ppp, the M. tuberculosis PP2C-Family Ser/Thr Protein Phosphatase.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		D38 D191 D229
Binding residue
(residue number reindexed from 1)		D33 D186 D224
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.16: protein-serine/threonine phosphatase.
Gene Ontology
Molecular Function
GO:0004722 protein serine/threonine phosphatase activity
Biological Process
GO:0006470 protein dephosphorylation

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Molecular Function
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Biological Process
External links
PDB RCSB:1txo, PDBe:1txo, PDBj:1txo
PDBsum1txo
PubMed15530359
UniProtP9WHW5|PSTP_MYCTU Serine/threonine protein phosphatase PstP (Gene Name=pstP)

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