› 5fpm

X-ray diffraction
1.96Å resolution

Structure of heat shock-related 70kDA protein 2 with small-molecule ligand 5-phenyl-1,3,4-oxadiazole-2-thiol (AT809) in an alternate binding site.

Released:
DOI: 10.2210/pdb5fpm/pdb
PDB entry 5fpm coloured by chain, front view.
PDB entry 5fpm coloured by chain, side view.
PDB entry 5fpm coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Detection of secondary binding sites in proteins using fragment screening.
Ludlow RF, Verdonk ML, Saini HK, Tickle IJ, Jhoti H
Proc Natl Acad Sci U S A 112 15910-5 (2015)
PMID: 26655740

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-157070 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Heat shock-related 70 kDa protein 2 Chains: A, B
Molecule details ›
Chains: A, B
Length: 387 amino acids
Theoretical weight: 42.38 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P54652 (Residues: 4-386; Coverage: 60%)
Gene name: HSPA2
Sequence domains: Hsp70 protein
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand IWT 2 x IWT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-E
Spacegroup: P21
Unit cell:
a: 48.86Å b: 94.96Å c: 81.54Å
α: 90° β: 89.98° γ: 90°
R-values:
R R work R free
0.172 0.17 0.218
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

11 review citations

Twenty years on: the impact of fragments on drug discovery.
Erlanson et al. (2016)
10 more

2 mentions without citation

The remarkable multivalency of the Hsp70 chaperones.
Zuiderweg et al. (2017)
1 more