› 3krd

X-ray diffraction
2.5Å resolution

Crystal Structure of Mycobacterium Tuberculosis Proteasome in complex with Fellutamide B

Released:
DOI: 10.2210/pdb3krd/pdb
PDB entry 3krd coloured by chain, front view.
PDB entry 3krd coloured by chain, side view.
PDB entry 3krd coloured by chain, top view.
Source organisms:
Primary publication:
Fellutamide B is a potent inhibitor of the Mycobacterium tuberculosis proteasome.
Lin G, Li D, Chidawanyika T, Nathan C, Li H
Arch Biochem Biophys 501 214-20 (2010)
PMID: 20558127

Function and Biology Details

Reaction catalysed: 
Cleavage of peptide bonds with very broad specificity.
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero 42-mer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-242339 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
Proteasome subunit alpha Chains: 1, A, B, D, F, I, K, M, O, Q, S, U, W, Y
Molecule details ›
Chains: 1, A, B, D, F, I, K, M, O, Q, S, U, W, Y
Length: 248 amino acids
Theoretical weight: 26.91 KDa
Source organism: Mycobacterium tuberculosis
Expression system: Escherichia coli
UniProt:
  • Canonical: P9WHU1 (Residues: 1-248; Coverage: 100%)
Gene names: Rv2109c, prcA
Sequence domains: Proteasome subunit
Structure domains: Glutamine Phosphoribosylpyrophosphate, subunit 1, domain 1
Proteasome subunit beta Chains: 2, C, E, G, H, J, L, N, P, R, T, V, X, Z
Molecule details ›
Chains: 2, C, E, G, H, J, L, N, P, R, T, V, X, Z
Length: 240 amino acids
Theoretical weight: 25.27 KDa
Source organism: Mycobacterium tuberculosis
Expression system: Escherichia coli
UniProt:
  • Canonical: P9WHT9 (Residues: 58-291; Coverage: 80%)
Gene names: Rv2110c, prcB
Sequence domains: Proteasome subunit
Structure domains: Glutamine Phosphoribosylpyrophosphate, subunit 1, domain 1
Fellutamide B Chains: a, b, c, d, e, f, g, h, i, j, k, l, m, n
Molecule details ›
Chains: a, b, c, d, e, f, g, h, i, j, k, l, m, n
Length: 3 amino acids
Theoretical weight: 373 Da
Source organism: synthetic construct
Expression system: Not provided

Ligands and Environments

1 bound ligand:
Ligand HXD 14 x HXD
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X29A
Spacegroup: P21
Unit cell:
a: 170.186Å b: 118.099Å c: 194.347Å
α: 90° β: 112.62° γ: 90°
R-values:
R R work R free
0.208 0.208 0.229
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

16 review citations

Bioactive Compounds Produced by Strains of Penicillium and Talaromyces of Marine Origin.
Nicoletti et al. (2016)
15 more

2 mentions without citation

Fellutamide B is a potent inhibitor of the Mycobacterium tuberculosis proteasome.
Lin et al. (2010)
1 more