MolNFT v1 · #75940 · protein

Crystal structure of the amino-terminal domain of HSP90 from leishmania major, LMJF33.0312:M1-K213 in the presence of 17-dmap- geldanamycin

3Q5J · Heat shock protein 83-1: “Crystal structure of the amino-terminal domain of HSP90 from leishmania major, LMJF33.0312:M1-K213 in the…”. X-ray diffraction, 1 ligand (D1S), 1 pocket (best druggability 0.62). MolNFT v1 #75940 on…

PDB: 3Q5J
Type: protein
Length: 205 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Heat shock protein 83-1
UniProt: Q4Q4I6
Ligands: D1S
Pockets: 1 · best druggability 0.62

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Heat shock protein 83-1	protein	205	43% helix, 24% strand	Q4Q4I6

Ligands and binding sites

D1S · (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-{[3-(dimethylamino)propyl]amino}-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate · ligand · 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	260	0.62	0.80	33	D1S

Compared structures

3Q5J · Crystal structure of the amino-terminal domain of HSP90 from Leishmania major… · 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 Q4Q4I6
Elsewhere: RCSB PDB 3Q5J · PDBe 3Q5J · UniProt Q4Q4I6

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