› 4z1h

X-ray diffraction
2.9Å resolution

Crystal structure of human Trap1 with SMTIN-P01

Released:
DOI: 10.2210/pdb4z1h/pdb
PDB entry 4z1h coloured by chain, front view.
PDB entry 4z1h coloured by chain, side view.
PDB entry 4z1h coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Development of a mitochondria-targeted Hsp90 inhibitor based on the crystal structures of human TRAP1.
Lee C, Park HK, Jeong H, Lim J, Lee AJ, Cheon KY, Kim CS, Thomas AP, Bae B, Kim ND, Kim SH, Suh PG, Ryu JH, Kang BH
J Am Chem Soc 137 4358-67 (2015)
PMID: 25785725

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-171444 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Heat shock protein 75 kDa, mitochondrial Chain: A
Molecule details ›
Chain: A
Length: 502 amino acids
Theoretical weight: 57.42 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q12931 (Residues: 60-561; Coverage: 71%)
Gene names: HSP75, HSPC5, TRAP1
Sequence domains: Hsp90 protein

Ligands and Environments

1 bound ligand:
Ligand 4KP 1 x 4KP
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: PAL/PLS BEAMLINE 5C (4A)
Spacegroup: P41212
Unit cell:
a: 69.336Å b: 69.336Å c: 255.774Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.238 0.236 0.285
Expression system: Escherichia coli

Quick links

Citations

25 review citations

Mitochondria-Targeted Triphenylphosphonium-Based Compounds: Syntheses, Mechanisms of Action, and Therapeutic and Diagnostic Applications.
Zielonka et al. (2017)
24 more

1 mention without citation

Paralog Specific Hsp90 Inhibitors - A Brief History and a Bright Future.
Gewirth DT. (2016)