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PDBsum entry 1jw7

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protein ligands Protein-protein interface(s) links
Oxidoreductase PDB id
1jw7
Jmol
Contents
Protein chains
274 a.a.
Ligands
NAD ×4
DCN ×4
Waters ×218
Superseded by: 2pd4
PDB id:
1jw7
Name: Oxidoreductase
Title: Crystal structure of enoyl-acyl carrier protein reductase from helicobacter pylori
Structure: Enoyl-acp reductase. Chain: a, b, c, d. Synonym: nadh-dependent enoyl-acp reductase. Engineered: yes
Source: Helicobacter pylori. Bacteria. Gene: fabi. Expressed in: escherichia coli.
Biol. unit: Tetramer (from PQS)
Resolution:
2.30Å     R-factor:   0.238     R-free:   0.271
Authors: J.H.Moon,H.H.Lee,S.W.Suh
Key ref:
H.H.Lee et al. (2007). Crystal structure of the Helicobacter pylori enoyl-acyl carrier protein reductase in complex with hydroxydiphenyl ether compounds, triclosan and diclosan. Proteins, 69, 691-694. PubMed id: 17879346 DOI: 10.1002/prot.21586
Date:
03-Sep-01     Release date:   11-Nov-03    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chains
Pfam   ArchSchema ?
O24990  (FABI_HELPY) -  Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
Seq:
Struc:
275 a.a.
274 a.a.
Key:    PfamA domain  Secondary structure  CATH domain

 Enzyme reactions 
   Enzyme class: E.C.1.3.1.9  - Enoyl-[acyl-carrier-protein] reductase (NADH).
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: An acyl-[acyl-carrier protein] + NAD+ = a trans-2,3-dehydroacyl-[acyl- carrier protein] + NADH
acyl-[acyl-carrier protein]
+ NAD(+)
= trans-2,3-dehydroacyl-[acyl- carrier protein]
+
NADH
Bound ligand (Het Group name = NAD)
corresponds exactly
Molecule diagrams generated from .mol files obtained from the KEGG ftp site

 

 
    reference    
 
 
DOI no: 10.1002/prot.21586 Proteins 69:691-694 (2007)
PubMed id: 17879346  
 
 
Crystal structure of the Helicobacter pylori enoyl-acyl carrier protein reductase in complex with hydroxydiphenyl ether compounds, triclosan and diclosan.
H.H.Lee, J.Moon, S.W.Suh.
 
  ABSTRACT  
 
No abstract given.

 
  Selected figure(s)  
 
Figure 1.
Figure 1. Monomer and tetramer structures of H. pylori ENR and electron density maps of the bound ligands. (A) Monomer structure. Secondary structure elements were defined by PyMOL (DeLano, 2002, The PyMOL Molecular Graphics System, http://pymol.sourceforge.net/). NAD^+ and triclosan bound to the active site of subunit A are shown as ball-and-stick models. (B) Tetrameric architecture. NAD^+ and triclosan are shown. (C) 2F[o]-F[c] electron density maps of the bound ligands, superimposed on triclosan (subunit A), diclosan (subunit A), and NAD^+ (subunit A of the triclosan complex). (D) Superposition of triclosan (cyan) and diclosan (purple). Phenolic rings (ring A) of triclosan and diclosan are superimposed.
Figure 2.
Figure 2. Binding mode of triclosan, diclosan, and NAD^+. (A) Superposition of H. pylori ENR (subunit A of the triclosan complex, colored in red) with ENRs from E. coli (PDB ID code 1C14, colored in yellow), M. tuberculosis (PDB ID code 1P45, colored in pink), B. napus (PDB ID code 1D7O, colored in cyan), and P. falciparum (PDB ID code 1UH5, colored in green) ENRs (monomer A). (B) Binding site of triclosan and NAD^+ in subunit A. (C) Binding site of diclosan and NAD^+ in subunit A.
 
  The above figures are reprinted by permission from John Wiley & Sons, Inc.: Proteins (2007, 69, 691-694) copyright 2007.  

Literature references that cite this PDB file's key reference

  PubMed id Reference
21280175 K.Maity, T.Banerjee, N.Prabakaran, N.Surolia, A.Surolia, and K.Suguna (2011).
Effect of substrate binding loop mutations on the structure, kinetics, and inhibition of enoyl acyl carrier protein reductase from plasmodium falciparum.
  IUBMB Life, 63, 30-41.
PDB codes: 3am3 3am4 3am5
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