MolNFT v1 · #68880 · protein

HSP90 N-terminal domain in complex with 4-chloro-6-{[(2R)-2- (2-METHYLPHENYL)PYRROLIDIN-1-YL]CARBONYL}BENZENE-1,3-diol

3K97 · Heat shock protein HSP 90-alpha: “HSP90 N-terminal domain in complex with 4-chloro-6-{[(2R)-2…”. X-ray diffraction, 1 ligand (4CD), 1 pocket (best druggability 0.63). MolNFT v1 #68880 on GenesisL1: 3D structure, binding sites and…

PDB: 3K97
Type: protein
Length: 210 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Heat shock protein HSP 90-alpha
UniProt: P07900
Ligands: 4CD
Pockets: 1 · best druggability 0.63

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Heat shock protein HSP 90-alpha	protein	210	42% helix, 22% strand	P07900

Ligands and binding sites

4CD · 4-chloro-6-{[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol · ligand · chains A
DMS · Dimethyl sulfoxide · additive · 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	266	0.63	0.81	30	4CD

Compared structures

3K97 · HSP90 N-terminal domain in complex with 4-chloro-6-{[(2R)-2-(2-methylphenyl)pyrrolidin-1-y… · 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 P07900
Elsewhere: RCSB PDB 3K97 · PDBe 3K97 · UniProt P07900

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