PDBsum entry 4zdk

Ligase

PDB id: 4zdk

Contents

Protein chains

534 a.a.

Ligands

ONL ×2

ACP ×2

UTP ×2

Metals

_MG ×2

PDB id:

4zdk

Name:

Ligase

Title:

Crystal structure of the m. Tuberculosis ctp synthase pyrg in complex with utp, amp-pcp and oxonorleucine

Structure:

Ctp synthase. Chain: a, b. Synonym: ctp synthetase,utp--ammonia ligase. Engineered: yes

Source:

Mycobacterium tuberculosis (strain atcc 25618 / h37rv). Organism_taxid: 83332. Gene: pyrg, rv1699, mtci125.21. Expressed in: escherichia coli bl21(de3). Expression_system_taxid: 469008.

Resolution:

3.49Å R-factor: 0.203 R-free: 0.214

Authors:

M.Bellinzoni,N.Barilone,P.M.Alzari

Key ref:

G.Mori et al. (2015). Thiophenecarboxamide Derivatives Activated by EthA Kill Mycobacterium tuberculosis by Inhibiting the CTP Synthetase PyrG. Chem Biol, 22, 917-927. PubMed id: 26097035 DOI: 10.1016/j.chembiol.2015.05.016

Date:

17-Apr-15 Release date: 01-Jul-15

Protein chains

P9WHK7  (PYRG_MYCTU) -  CTP synthase from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)

Seq: 586 a.a.

Struc: 534 a.a.

Enzyme reactions

• Enzyme class: E.C.6.3.4.2 - Ctp synthase (glutamine hydrolyzing).
• Reaction: UTP + L-glutamine + ATP + H2O = CTP + L-glutamate + ADP + phosphate + 2 H⁺

UTP + L-glutamine + ATP (Bound ligand (Het Group name = ONL) matches with 81.82% similarity) + H2O (Bound ligand (Het Group name = UTP) corresponds exactly) = CTP (Bound ligand (Het Group name = ACP) matches with 81.25% similarity) + L-glutamate + ADP + phosphate + 2 × H(+)

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

reference

DOI no: 10.1016/j.chembiol.2015.05.016

Chem Biol 22:917-927 (2015)

PubMed id: 26097035

Thiophenecarboxamide Derivatives Activated by EthA Kill Mycobacterium tuberculosis by Inhibiting the CTP Synthetase PyrG.

G.Mori, L.R.Chiarelli, M.Esposito, V.Makarov, M.Bellinzoni, R.C.Hartkoorn, G.Degiacomi, F.Boldrin, S.Ekins, A.L.de Jesus Lopes Ribeiro, L.B.Marino, I.Centárová, Z.Svetlíková, J.Blaško, E.Kazakova, A.Lepioshkin, N.Barilone, G.Zanoni, A.Porta, M.Fondi, R.Fani, A.R.Baulard, K.Mikušová, P.M.Alzari, R.Manganelli, L.P.de Carvalho, G.Riccardi, S.T.Cole, M.R.Pasca.

ABSTRACT

No abstract given.