› 7hb4

X-ray diffraction
1.87Å resolution

PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr14472

Released:
DOI: 10.2210/pdb7hb4/pdb
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PDB entry 7hb4 coloured by chain, front view.
PDB entry 7hb4 coloured by chain, side view.
PDB entry 7hb4 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
Huang L, Wang W, Zhu Z, Li Q, Li M, Zhou H, Xu Q, Wen W, Wang Q, Yu F
IUCrJ 12 177-187 (2025)
PMID: 39819741

Function and Biology Details

Reaction catalysed: 
ATP + H(2)O = ADP + phosphate
Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-139817 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Heat shock protein HSP 90-alpha Chain: A
Molecule details ›
Chain: A
Length: 237 amino acids
Theoretical weight: 26.86 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P07900 (Residues: 8-236; Coverage: 31%)
Gene names: HSP90A, HSP90AA1, HSPC1, HSPCA
Sequence domains: Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase

Ligands and Environments

1 bound ligand:
Ligand A1AXV 1 x A1AXV
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: SSRF BEAMLINE BL02U1
Spacegroup: I222
Unit cell:
a: 68.2Å b: 90.64Å c: 98.61Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.164 0.163 0.188
Expression system: Escherichia coli BL21(DE3)

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