MolNFT v1 · #87874 · protein

HSP90 N-terminal domain bound to macrolactam analogues of radicicol.

4CE3 · ATP-dependent molecular chaperone HSP82: “HSP90 N-terminal domain bound to macrolactam analogues of radicicol.”. X-ray diffraction, 1 ligand (L4V), 1 pocket (best druggability 0.60). MolNFT v1 #87874 on GenesisL1: 3D structure…

PDB: 4CE3
Type: protein
Length: 214 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: ATP-dependent molecular chaperone HSP82
UniProt: P02829
Ligands: L4V
Pockets: 1 · best druggability 0.60

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	ATP-dependent molecular chaperone HSP82	protein	214	43% helix, 22% strand	P02829

Ligands and binding sites

L4V · 13-Chloro-14,16-dihydroxy-2-methyl-2,3,4,5,9,10-hexahydrobenz[c][1]azacyclotetradecine-1,11(8H,12H)-dione · 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	241	0.60	0.80	25	L4V

Compared structures

4CE3 · Hsp90 N-terminal domain bound to macrolactam analogues of radicicol. · 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 4CE3 · PDBe 4CE3 · UniProt P02829

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