MolNFT v1 · #187321 · protein

Room-temperature human HSP90A-ntd bound to N6M

7S99 · Heat shock protein HSP 90-alpha: “Room-temperature human HSP90A-ntd bound to N6M”. X-ray diffraction, 1 ligand (N6M), 1 pocket (best druggability 0.65). MolNFT v1 #187321 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7S99
Type: protein
Length: 209 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Heat shock protein HSP 90-alpha
EC: 3.6.4.10
UniProt: P07900
Ligands: N6M
Pockets: 1 · best druggability 0.65

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Heat shock protein HSP 90-alpha (EC 3.6.4.10)	protein	209	44% helix, 23% strand	P07900

Ligands and binding sites

N6M · N-methyl-9H-purin-6-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	189	0.65	0.84	27	N6M

Compared structures

7S99 · Room-temperature Human Hsp90a-NTD bound to N6M · the same entry in another collection · chain A against A, TM-score 1.00
P07900 · AlphaFold monomer V2.0 prediction for heat shock protein HSP 90-alpha (P07900) · 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 P07900
Elsewhere: RCSB PDB 7S99 · PDBe 7S99 · UniProt P07900

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