PDBsum entry 3rux

Ligase/ligase inhibitor

PDB id: 3rux

Contents

Protein chains

265 a.a.

Ligands

BS5 ×2

Waters ×653

PDB id:

3rux

Name:

Ligase/ligase inhibitor

Title:

Crystal structure of biotin-protein ligase bira from mycobacterium tuberculosis in complex with an acylsulfamide bisubstrate inhibitor

Structure:

Bira bifunctional protein. Chain: a, b. Synonym: possible bifunctional protein bira: biotin operon repressor + biotin--[acetyl-coa-carboxylase] synthetase (biotin--protein ligase). Engineered: yes

Source:

Mycobacterium tuberculosis. Organism_taxid: 1773. Strain: h37rv. Gene: bira, mt3379, rv3279c. Expressed in: escherichia coli. Expression_system_taxid: 562.

Resolution:

1.70Å R-factor: 0.192 R-free: 0.217

Authors:

T.W.Geders,B.C.Finzel

Key ref:

B.P.Duckworth et al. (2011). Bisubstrate adenylation inhibitors of biotin protein ligase from Mycobacterium tuberculosis. Chem Biol, 18, 1432-1441. PubMed id: 22118677

Date:

05-May-11 Release date: 14-Dec-11

Protein chains

P96884  (P96884_MYCTO) -  biotin--[biotin carboxyl-carrier protein] ligase from Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)

Seq: 266 a.a.

Struc: 265 a.a.

Enzyme reactions

• Enzyme class: E.C.6.3.4.15 - biotin--[biotin carboxyl-carrier protein] ligase.
• Reaction: biotin + L-lysyl-[protein] + ATP = N₆-biotinyl-L-lysyl-[protein] + AMP + diphosphate + H⁺

biotin + L-lysyl-[protein] + ATP = N(6)-biotinyl-L-lysyl-[protein] (Bound ligand (Het Group name = BS5) matches with 41.86% similarity) + AMP + diphosphate + H(+)

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

reference

Chem Biol 18:1432-1441 (2011)

PubMed id: 22118677

Bisubstrate adenylation inhibitors of biotin protein ligase from Mycobacterium tuberculosis.

B.P.Duckworth, T.W.Geders, D.Tiwari, H.I.Boshoff, P.A.Sibbald, C.E.Barry, D.Schnappinger, B.C.Finzel, C.C.Aldrich.

ABSTRACT

No abstract given.