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PDBsum entry 3zxr

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protein ligands metals Protein-protein interface(s) links
Ligase PDB id
3zxr
Jmol
Contents
Protein chains
(+ 0 more) 475 a.a.
Ligands
IQ1 ×6
P3S ×6
PO4 ×6
Metals
_CL ×6
_MG ×18
Waters ×1410
PDB id:
3zxr
Name: Ligase
Title: Crystal structure of mycobacterium tuberculosis glutamine sy in complex with tri-substituted imidazole inhibitor (3-(2-tert-butyl-5-(pyridin-4-yl)-1h-imidazol-4-yl)quinolin l-methionine-s-sulfoximine phosphate.
Structure: Glutamine synthetase 1. Chain: a, b, c, d, e, f. Fragment: residues 2-478. Synonym: glutamate--ammonia ligase 1. Engineered: yes
Source: Mycobacterium tuberculosis. Organism_taxid: 83332. Strain: h37rv. Atcc: 25618. Expressed in: escherichia coli. Expression_system_taxid: 562. Other_details: e. Coli strain gj4745 is adenylyltransferase deficient (glne-)
Resolution:
2.15Å     R-factor:   0.225     R-free:   0.244
Authors: M.T.Nilsson,S.L.Mowbray
Key ref: J.Gising et al. (2012). Trisubstituted imidazoles as Mycobacterium tuberculosis glutamine synthetase inhibitors. J Med Chem, 55, 2894-2898. PubMed id: 22369127 DOI: 10.1021/jm201212h
Date:
15-Aug-11     Release date:   04-Apr-12    
PROCHECK
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 Headers
 References

Protein chains
Pfam  
P9WN39  (GLNA1_MYCTU) -  Glutamine synthetase 1
Seq:
Struc:
478 a.a.
475 a.a.
Key:    Secondary structure  CATH domain

 Enzyme reactions 
   Enzyme class: E.C.6.3.1.2  - Glutamate--ammonia ligase.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: ATP + L-glutamate + NH3 = ADP + phosphate + L-glutamine
ATP
+ L-glutamate
+ NH(3)
= ADP
+
phosphate
Bound ligand (Het Group name = PO4)
corresponds exactly
+ L-glutamine
Molecule diagrams generated from .mol files obtained from the KEGG ftp site
 Gene Ontology (GO) functional annotation 
  GO annot!
  Cellular component     extracellular region   5 terms 
  Biological process     growth   4 terms 
  Biochemical function     catalytic activity     5 terms  

 

 
    reference    
 
 
DOI no: 10.1021/jm201212h J Med Chem 55:2894-2898 (2012)
PubMed id: 22369127  
 
 
Trisubstituted imidazoles as Mycobacterium tuberculosis glutamine synthetase inhibitors.
J.Gising, M.T.Nilsson, L.R.Odell, S.Yahiaoui, M.Lindh, H.Iyer, A.M.Sinha, B.R.Srinivasa, M.Larhed, S.L.Mowbray, A.Karlén.
 
  ABSTRACT  
 
No abstract given.