MolNFT v1 · #85971 · protein

The structure of modified benzoquinone ansamycins bound to yeast N- terminal HSP90

4ASG · ATP-dependent molecular chaperone HSP82: “The structure of modified benzoquinone ansamycins bound to yeast N- terminal HSP90”. X-ray diffraction, 2 ligands (814, NI), 1 pocket (best druggability 0.61). MolNFT v1 #85971 on GenesisL1…

PDB: 4ASG
Type: protein
Length: 213 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: ATP-dependent molecular chaperone HSP82
UniProt: P02829
Ligands: 814, NI
Pockets: 1 · best druggability 0.61

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	ATP-dependent molecular chaperone HSP82	protein	213	44% helix, 23% strand	P02829

Ligands and binding sites

814 · [(3R,5S,6R,7R,11S,12Z,14E)-5,11,21-trimethoxy-3,7,9,15-tetramethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-19-phenyl-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate · ligand · chains A
NI · Nickel (II) ion · metal · 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	235	0.61	0.80	25	814

Compared structures

4ASG · The structure of modified benzoqui ansamycins bound to yeast N- terminal Hsp90 · 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 P02829
Elsewhere: RCSB PDB 4ASG · PDBe 4ASG · UniProt P02829

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