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

Analyse Crystal structure of the amino-terminal domain of HSP90 from leishmania major… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3Q5K
Type: protein
Length: 213 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Heat shock protein 83-1
UniProt: Q4Q4I6
Ligands: D1U
Pockets: 1 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Heat shock protein 83-1	protein	213	41% helix, 24% strand	Q4Q4I6

Ligands and binding sites

D1U · 4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]-2-{[2-(methylsulfanyl)ethyl]amino}benzamide · 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	217	0.68	0.85	26	D1U

Compared structures

3Q5K · 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 3Q5K · PDBe 3Q5K · UniProt Q4Q4I6

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