MolNFT v1 · #90343 · protein

HSP90-alpha ATPase domain in complex with 2-amino-4-ethylthio-6- methyl-1,3,5-triazine

4EGI · Heat shock protein HSP 90-alpha: “HSP90-alpha ATPase domain in complex with 2-amino-4-ethylthio-6- methyl-1,3,5-triazine”. X-ray diffraction, 1 ligand (B2J), 1 pocket (best druggability 0.62). MolNFT v1 #90343 on GenesisL1: 3D…

PDB: 4EGI
Type: protein
Length: 217 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: B2J
Pockets: 1 · best druggability 0.62

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Heat shock protein HSP 90-alpha	protein	217	41% helix, 22% strand	P07900

Ligands and binding sites

B2J · 4-(ethylsulfanyl)-6-methyl-1,3,5-triazin-2-amine · 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	232	0.62	0.81	29	B2J

Compared structures

4EGI · Hsp90-alpha ATPase domain in complex with 2-Amino-4-ethylthio-6-methyl-1,3,5-triazine · 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 4EGI · PDBe 4EGI · UniProt P07900

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