› 6iw7

X-ray diffraction
2.69Å resolution

structural insights into Mycobacterium tuberculosis ClpP1P2 inhibition by Cediranib: implications for developing antimicrobial agents targeting Clp protease

Released:
DOI: 10.2210/pdb6iw7/pdb
PDB entry 6iw7 coloured by chain, front view.
PDB entry 6iw7 coloured by chain, side view.
PDB entry 6iw7 coloured by chain, top view.
Source organism: Mycobacterium tuberculosis CDC1551
Entry authors: Bao R, Luo YF, Zhu YB, Yang Y, Zhou YZ

Function and Biology Details

Reaction catalysed: 
Hydrolysis of proteins to small peptides in the presence of ATP and magnesium. Alpha-Casein is the usual test substrate. In the absence of ATP, only oligopeptides shorter than five residues are hydrolyzed (such as succinyl-Leu-Tyr-|-NHMec; and Leu-Tyr-Leu-|-Tyr-Trp, in which cleavage of the -Tyr-|-Leu- and -Tyr-|-Trp bonds also occurs).
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-280570 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
ATP-dependent Clp protease proteolytic subunit 2 Chains: A, C, E, F, H, J, L
Molecule details ›
Chains: A, C, E, F, H, J, L
Length: 202 amino acids
Theoretical weight: 22.24 KDa
Source organism: Mycobacterium tuberculosis CDC1551
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P9WPC3 (Residues: 13-214; Coverage: 94%)
Gene names: MTV008.16c, Rv2460c, clpP2
Sequence domains: Clp protease
ATP-dependent Clp protease proteolytic subunit 1 Chains: B, D, G, I, K, M, N
Molecule details ›
Chains: B, D, G, I, K, M, N
Length: 194 amino acids
Theoretical weight: 21.07 KDa
Source organism: Mycobacterium tuberculosis CDC1551
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P9WPC5 (Residues: 7-200; Coverage: 97%)
Gene names: MTV008.17c, Rv2461c, clpP, clpP1
Sequence domains: Clp protease

Ligands and Environments

3 bound ligands:
Ligand S0R 14 x S0R
Ligand LEU 14 x LEU
Ligand AV3 7 x AV3
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL19U1
Spacegroup: C2
Unit cell:
a: 210.634Å b: 180.78Å c: 95.926Å
α: 90° β: 95.716° γ: 90°
R-values:
R R work R free
0.193 0.192 0.249
Expression system: Escherichia coli BL21(DE3)

Quick links