MolNFT v1 · #17403 · protein

Human HSP90 in complex with 17-desmethoxy-17-N,N- dimethylaminoethylamino-geldanamycin

1OSF · Heat shock 90KDA protein 1, alpha: “Human HSP90 in complex with 17-desmethoxy-17-N,N- dimethylaminoethylamino-geldanamycin”. X-ray diffraction, 1 ligand (KOS), 1 pocket (best druggability 0.62). MolNFT v1 #17403 on GenesisL1: 3D…

PDB: 1OSF
Type: protein
Length: 215 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Heat shock 90KDA protein 1, alpha
UniProt: P07900
Ligands: KOS
Pockets: 1 · best druggability 0.62

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Heat shock 90KDA protein 1, alpha	protein	215	40% helix, 22% strand	P07900

Ligands and binding sites

KOS · 17-desmethoxy-17-N,N-dimethylaminoethylamino-geldanamycin · ligand · chains A
MPD · (4S)-2-methyl-2,4-pentanediol · additive · 2 copies · chains A
ACY · Acetic acid · additive · 2 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	258	0.62	0.81	27	KOS

Compared structures

1OSF · Human Hsp90 in complex with 17-desmethoxy-17-N,N-Dimethylaminoethylamino-Geldanamycin · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P07900
Elsewhere: RCSB PDB 1OSF · PDBe 1OSF · UniProt P07900

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