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Candida albicans HSP90 nucleotide binding domain in complex with ADP

Analyse Candida albicans HSP90 nucleotide binding domain in complex with ADP in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6CJJ
Type: protein
Length: 214 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Heat shock protein 90 homolog
UniProt: P46598
Ligands: ADP, MG
Pockets: 1 · best druggability 0.60

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Heat shock protein 90 homolog	protein	214	42% helix, 22% strand	P46598

Ligands and binding sites

ADP · Adenosine-5'-diphosphate · ligand · chains A
MG · Magnesium ion · metal · 2 copies · chains A
EDO · 1,2-ethanediol · additive · 3 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	217	0.60	0.80	28	ADP

Compared structures

6CJJ · Candida albicans Hsp90 nucleotide binding domain in complex with ADP · the same entry in another collection · chain A against A, TM-score 1.00
P46598 · AlphaFold monomer V2.0 prediction for heat shock protein 90 homolog (P46598) · a predicted model of the same protein · chain A against A, TM-score 0.82

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 P46598
Elsewhere: RCSB PDB 6CJJ · PDBe 6CJJ · UniProt P46598

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