2B35 Oxidoreductase date Sep 19, 2005
title Crystal Structure Of Mycobacterium Tuberculosis Enoyl Reductase (Inha) Inhibited By Triclosan
authors T.J.Sullivan, J.J.Truglio, P.Novichenok, C.Stratton, X.Zhang, T.Kaur, F.Johnson, M.S.Boyne, A.Amin
compound source
Molecule: Enoyl-[Acyl-Carrier-Protein] Reductase [Nadh]
Chain: A, B, C, D, E, F
Synonym: Nadh-Dependent Enoyl-Acp Reductase
Ec: 1.3.1.9
Engineered: Yes
Organism_scientific: Mycobacterium Tuberculosis
Gene: Inha
Expression_system: Escherichia Coli
Expression_system_common: Bacteria
symmetry Space Group: C 1 2 1
R_factor 0.268
crystal
cell
length a length b length c angle alpha angle beta angle gamma
99.955 81.827 188.656 90.00 95.69 90.00
method X-Ray Diffractionresolution 2.30 Å
ligand NAD, TCL enzyme Oxidoreductase E.C.1.3.1.9 BRENDA
Gene
Ontology
ChainFunctionProcessComponent
F, A, D, C, E, B
  • enoyl-[acyl-carrier-protein]...
  • oxidoreductase activity
  • fatty acid biosynthetic proc...
  • metabolic process
  • lipid biosynthetic process
  • response to antibiotic

  • Data retrieval
  • Asymmetric unit, PDB entry: [header only] [complete with coordinates] (264 Kb) [Save to disk]
  • Biological Unit Coordinates (2b35.pdb1.gz) 155 Kb
  • Biological Unit Coordinates (2b35.pdb2.gz) 157 Kb
  • CSU: Contacts of Structural Units for 2B35
  • Likely Quarternary Molecular Structure file(s) for 2B35
  • Structure Factors (1354 Kb)
  • Retrieve 2B35 in mmCIF format [Save to disk]
  • View 2B35 in 3D
  • On Jmol, a nice Rasmol like molecule viewer. This is good for easiest viewing of basic structure.
  • On FirstGlance, an excellent tool for a guided tour on the structure components, by E. Martz.
  • On AstexViewer, from MSD-EBI (viewer documentation).
  • On RasMol (Install RasMol freeware) Here's help on how to use RasMol.
  • Visual 3D analysis of 2B35
  • Protein Explorer, Easier to use and more powerful than RasMol. (Win and Mac only)
  • Noncovalent Bond Finder displays the closest contacts to ligand or interface, reports distances, walks over water bridges.
  • STING, shows the sequence and maps the locations of sequence residues or residue ranges onto the 3D structure.
  • GRASS (Graphical Representation and Analysis of Structure Server)
  • Cartoon representation from PDB Cartoon
  • Ramachandran plot from PDBSum
  • Structure-derived information
  • Electron Density related parameters from EDS Electron Density Server, at Upsala
  • Dipole moment, from Dipole Server at Weizmann Institute
  • Crystal Contacts, from CryCo at Weizmann Institute
  • 3D motif for 2B35, from MSDmotif at EBI
  • Fold representative 2b35 from FSSP and Dali (Families of Structurally Similar Proteins)
  • Sequence-derived information
  • View one-letter amino acid or nucleotide sequence for each chain: [2b35_A] [2b35_F] [2b35_E] [2b35_C] [2b35_B] [2b35_D]
  • Other resources with information on 2B35
  • MMDB (Entrez's Structure Database)
  • Movements, Movies and Images
  • Images from IMB Jena Image Library of Biological Macromolecules.

  • You may enter another PDB ID code
    Go [Back], to the [PDB Lite page], to the [OCA Search page] or to the [PDB Home page]
    OCA© by Jaime Prilusky, 1996-2006
    Bioinformatics and Biological Computing
    Weizmann Institute of Science