PDBsum entry 5kdf

Hydrolase/hydrolase inhibitor

PDB id: 5kdf

Contents

Protein chain

161 a.a.

Ligands

6RU

POP

Metals

_CA ×3

Waters ×27

PDB id:

5kdf

Name:

Hydrolase/hydrolase inhibitor

Title:

Inorganic pyrophosphatase from mycobacterium tuberculosis in complex with inhibitor 6 and inorganic pyrophosphate

Structure:

Inorganic pyrophosphatase. Chain: a. Synonym: pyrophosphate phospho-hydrolase,ppase. Engineered: yes. Other_details: the sequence contains a hexahistidine tag.

Source:

Mycobacterium tuberculosis (strain atcc 25618 / h37rv). Organism_taxid: 83332. Strain: atcc 25618 / h37rv. Gene: ppa, rv3628, mtcy15c10.24. Expressed in: escherichia coli bl21(de3). Expression_system_taxid: 469008

Resolution:

2.45Å R-factor: 0.188 R-free: 0.218

Authors:

A.H.Pang,A.Garzan,S.Garneau-Tsodikova,O.V.Tsodikov

Key ref:

A.H.Pang et al. (2016). Discovery of Allosteric and Selective Inhibitors of Inorganic Pyrophosphatase from Mycobacterium tuberculosis. Acs Chem Biol, 11, 3084-3092. PubMed id: 27622287 DOI: 10.1021/acschembio.6b00510

Date:

08-Jun-16 Release date: 28-Sep-16

Protein chain

P9WI55  (IPYR_MYCTU) -  Inorganic pyrophosphatase from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)

Seq: 162 a.a.

Struc: 161 a.a.

Enzyme reactions

• Enzyme class: E.C.3.6.1.1 - inorganic diphosphatase.
• Reaction: diphosphate + H2O = 2 phosphate + H⁺

diphosphate (Bound ligand (Het Group name = POP) corresponds exactly) + H2O = 2 × phosphate + H(+)

Molecule diagrams generated from .mol files obtained from the KEGG ftp site

Added reference

DOI no: 10.1021/acschembio.6b00510

Acs Chem Biol 11:3084-3092 (2016)

PubMed id: 27622287

Discovery of Allosteric and Selective Inhibitors of Inorganic Pyrophosphatase from Mycobacterium tuberculosis.

A.H.Pang, A.Garzan, M.J.Larsen, T.J.McQuade, S.Garneau-Tsodikova, O.V.Tsodikov.

ABSTRACT

No abstract given.