6N8Y: Hsp90-beta

Hsp90-beta bound to PU-11-trans. Determined by X-ray diffraction at 1.55 Å resolution. Released 3 Jul 2019.

Method: X-ray diffraction
Resolution: 1.55 Å
Organism: Homo sapiens
Chains: 1
Atoms: 2,006
Mol. weight: 27.34 kDa
Ligands: KFY
Released: 3 Jul 2019

Explore 6N8Y in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

6N8Y contains 12 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: 12 helices, 8 β-strands

Element	Residues	Length	Sheet
β-strand	13-16	4	1
α-helix	17-18	2
α-helix	19-30	12
α-helix	38-60	23
α-helix	62-65	4
β-strand	73-78	6	1
β-strand	83-88	6	1
α-helix	95-96	2
α-helix	97-101	5
α-helix	102-118	17
α-helix	123-129	7
α-helix	132-138	7
β-strand	140-148	9	1
β-strand	155-159	5	1
β-strand	164-169	6	1
β-strand	178-185	8	1
α-helix	187-193	7
α-helix	195-205	11
β-strand	213-215	3	1
α-helix	216-218	3

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Heat shock protein HSP 90-beta	A	protein	241	Homo sapiens	P08238 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>6N8Y_1 Heat shock protein HSP 90-beta (chains A)
MGSSHHHHHHSSGLVPRGSHMPEEVHHGEEEVETFAFQAEIAQLMSLIINTFYSNKEIFL
RELISNASDALDKIRYESLTDPSKLDSGKELKIDIIPNPQERTLTLVDTGIGMTKADLIN
NLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVVVITKHNDDEQYAWESS
AGGSFTVRADHGEPIGRGTKVILHLKEDQTEYLEERRVKEVVKKHSQFIGYPITLYLEKE
R

Ligands and cofactors

ID	Name	Formula	Copies
KFY	9-[(2E)-but-2-en-1-yl]-8-[(3,4,5-trimethoxyphenyl)methyl]-9H-purin-6-amine	C19 H23 N5 O3	1

Primary citation

Structures of Hsp90 alpha and Hsp90 beta bound to a purine-scaffold inhibitor reveal an exploitable residue for drug selectivity. Huck, J.D., Que, N.L.S., Sharma, S. et al. Proteins (2019) 87:869-877. DOI 10.1002/prot.25750 · PubMed

Other PDB entries of the same protein (UniProt P08238 (AlphaFold model), which also has an AlphaFold model), best resolution first:

9D9I 1.5 Å, Human Hsp90b nucleotide binding domain in complex with BRI2312
5UCJ 1.69 Å, Hsp90b N-terminal domain with inhibitors
7ULJ 1.82 Å, Hsp90b N-terminal domain in complex with 42C
9D9H 1.96 Å, Human Hsp90b nucleotide binding domain in complex with BRI2311
5UC4 2.05 Å, Hsp90b N-terminal domain with inhibitors
3FWV 2.2 Å, Crystal Structure of a Redesigned TPR Protein, T-MOD(VMY), in Complex with MEEVF Peptide
3NMQ 2.2 Å, Hsp90b N-terminal domain in complex with EC44, a pyrrolo-pyrimidine methoxypyridine…
3PRY 2.28 Å, Crystal structure of the middle domain of human HSP90-beta refined at 2.3 A resolution
1UYM 2.45 Å, Human Hsp90-beta with PU3 (9-Butyl-8(3,4,5-trimethoxy-benzyl)-9H-purin-6-ylamine)
3UQ3 2.6 Å, TPR2AB-domain:pHSP90-complex of yeast Sti1
9W5I 2.63 Å, AGO maturation complex (AMC): AGO2-miRNA duplex in complex with Hsp90 beta and…
5UCH 2.65 Å, Hsp90b N-terminal domain with inhibitors

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