spacer
spacer

PDBsum entry 4acf

Go to PDB code: 
protein ligands metals Protein-protein interface(s) links
Ligase PDB id
4acf
Jmol
Contents
Protein chains
(+ 0 more) 475 a.a.
Ligands
46B ×6
P3S ×6
PO4 ×6
Metals
_MG ×24
_CL ×6
Waters ×1926
PDB id:
4acf
Name: Ligase
Title: Crystal structure of mycobacterium tuberculosis glutamine sy in complex with imidazopyridine inhibitor ((4-(6-bromo-3- (butylamino)imidazo(1,2-a)pyridin-2-yl)phenoxy) acetic acid 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.
Resolution:
2.00Å     R-factor:   0.166     R-free:   0.197
Authors: M.T.Nilsson,S.L.Mowbray
Key ref: A.Nordqvist et al. (2012). Synthesis, Biological evaluation and X-Ray crystallog studies of imidazo(1,2-A)pyridine-Based mycobacterium tuberculosis glutamine synthetase inhibitors. Medchemcomm, 3, 620.
Date:
15-Dec-11     Release date:   24-Oct-12    
PROCHECK
Go to PROCHECK summary
 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