7HBS: Heat shock protein HSP 90-alpha

PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with 10X-0806. Determined by X-ray diffraction at 1.38 Å resolution. Released 26 Mar 2025.

Method: X-ray diffraction
Resolution: 1.38 Å
Organism: Homo sapiens
Chains: 1
Atoms: 2,216
Mol. weight: 27.04 kDa
Ligands: A1AXX
Released: 26 Mar 2025

Explore 7HBS in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

7HBS contains 11 α-helices and 8 β-strands across 1 chain. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 11 helices, 8 β-strands

Element	Residues	Length	Sheet
β-strand	17-21	5	1
α-helix	22-23	2
α-helix	24-35	12
α-helix	43-65	23
α-helix	67-70	4
β-strand	78-83	6	1
β-strand	88-93	6	1
α-helix	100-104	5
α-helix	106-108	3
α-helix	111-124	14
α-helix	130-134	5
α-helix	137-143	7
β-strand	145-153	9	1
β-strand	160-164	5	1
β-strand	169-174	6	1
β-strand	183-190	8	1
α-helix	192-198	7
α-helix	200-210	11
β-strand	218-220	3	1

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Heat shock protein HSP 90-alpha	A	protein	237	Homo sapiens	P07900 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>7HBS_1 Heat shock protein HSP 90-alpha (chains A)
MDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYESLTDP
SKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGAD
ISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDTGEPMGRGTKVI
LHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAELEHHHHHH

Ligands and cofactors

ID	Name	Formula	Copies
A1AXX	(5P)-2-chloro-5-(1,3-oxazol-5-yl)pyridine	C8 H5 Cl N2 O	1

Primary citation

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. et al. IUCrJ (2025) 12:177-187. DOI 10.1107/S2052252524012247 · PubMed

Other PDB entries of the same protein (UniProt P07900 (AlphaFold model), which also has an AlphaFold model), best resolution first:

6TN5 1.17 Å, Rapid optimisation of fragments and hits to lead compounds from screening of crude…
5J80 1.17 Å, Crystal Structure of Apo Hsp90-alpha N-domain L107A mutant
3T0H 1.2 Å, Structure insights into mechanisms of ATP hydrolysis and the activation of human Hsp90
5J2X 1.22 Å, Crystal Structure of Hsp90-alpha N-domain in complex with…
3T10 1.24 Å, HSP90 N-terminal domain bound to ACP
6TN4 1.27 Å, Rapid optimisation of fragments and hits to lead compounds from screening of crude…
3WHA 1.3 Å, Hsp90 alpha N-terminal domain in complex with a tricyclic inhibitor
5XRD 1.3 Å, Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FS7
2YK9 1.32 Å, Tricyclic series of Hsp90 inhibitors
5LRL 1.33 Å, Crystal structure of HSP90 in complex with A003492875
6GR5 1.34 Å, Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) variant…
3B28 1.35 Å, Hsp90 alpha N-terminal domain in complex with an inhibitor CH5015765

Browse structure collections

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