› 5mks

X-ray diffraction
1.99Å resolution

HSP72-NBD bound to compound TCI 8 - Tyr15 in down-conformation

Released:
DOI: 10.2210/pdb5mks/pdb
PDB entry 5mks coloured by chain, front view.
PDB entry 5mks coloured by chain, side view.
PDB entry 5mks coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
An Irreversible Inhibitor of HSP72 that Unexpectedly Targets Lysine-56.
Pettinger J, Le Bihan YV, Widya M, van Montfort RL, Jones K, Cheeseman MD
OpenAccess logo Angew Chem Int Ed Engl 56 3536-3540 (2017)
PMID: 28225177

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-143649 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Heat shock 70 kDa protein 1A Chain: A
Molecule details ›
Chain: A
Length: 394 amino acids
Theoretical weight: 43.2 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P0DMV8 (Residues: 1-380; Coverage: 59%)
Gene names: HSP72, HSPA1, HSPA1A, HSX70
Sequence domains: Hsp70 protein
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand TI8 1 x TI8
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-X
Spacegroup: P212121
Unit cell:
a: 46.637Å b: 83.672Å c: 99.21Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.204 0.201 0.255
Expression system: Escherichia coli BL21

Quick links

Citations

12 review citations

Lysine-Targeting Covalent Inhibitors.
Pettinger et al. (2017)
11 more

3 mentions without citation

An Irreversible Inhibitor of HSP72 that Unexpectedly Targets Lysine-56.
Pettinger et al. (2017)
2 more