› 6aji

X-ray diffraction
2.9Å resolution

Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with Rimonabant

Released:
DOI: 10.2210/pdb6aji/pdb
PDB entry 6aji coloured by chain, front view.
PDB entry 6aji coloured by chain, side view.
PDB entry 6aji coloured by chain, top view.
Source organisms:
Primary publication:
Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target.
Zhang B, Li J, Yang X, Wu L, Zhang J, Yang Y, Zhao Y, Zhang L, Yang X, Yang X, Cheng X, Liu Z, Jiang B, Jiang H, Guddat LW, Yang H, Rao Z
Cell 176 636-648.e13 (2019)
PMID: 30682372

Function and Biology Details

Reaction catalysed: 
Hydrolysis of (1->4)-beta-linkages between N-acetylmuramic acid and N-acetyl-D-glucosamine residues in a peptidoglycan and between N-acetyl-D-glucosamine residues in chitodextrins
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-106220 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Endolysin; Trehalose monomycolate exporter MmpL3 Chain: A
Molecule details ›
Chain: A
Length: 943 amino acids
Theoretical weight: 104.01 KDa
Source organisms: Expression system: Mycolicibacterium smegmatis MC2 155
UniProt:
  • Canonical: A0QP27 (Residues: 1-748; Coverage: 74%)
  • Canonical: D9IEF7 (Residues: 2-161; Coverage: 98%)
Gene names: MSMEG_0250, MSMEI_0243, T4Tp126, e, mmpL3
Sequence domains:

Ligands and Environments

3 bound ligands:
Ligand AY6 1 x AY6
Ligand L6T 3 x L6T
Ligand MHA 2 x MHA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SPRING-8 BEAMLINE BL41XU
Spacegroup: P212121
Unit cell:
a: 87.696Å b: 140.598Å c: 141.833Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.231 0.23 0.254
Expression system: Mycolicibacterium smegmatis MC2 155

Quick links

Citations

27 review citations

Non-tuberculous mycobacteria and the rise of Mycobacterium abscessus.
Johansen et al. (2020)
26 more

6 mentions without citation

Antibiotics and resistance: the two-sided coin of the mycobacterial cell wall.
Batt et al. (2020)
5 more