GL1X · GenesisL1 explorer

MolNFT v1 · #187320 · protein

Cryogenic human HSP90A-ntd bound to N6M

7S98 · Heat shock protein HSP 90-alpha: “Cryogenic human HSP90A-ntd bound to N6M”. X-ray diffraction, 1 ligand (N6M), 1 pocket (best druggability 0.66). MolNFT v1 #187320 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7S98
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
EC
3.6.4.10
UniProt
P07900
Ligands
N6M
Pockets
1 · best druggability 0.66

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHeat shock protein HSP 90-alpha (EC 3.6.4.10)protein21042% helix, 23% strandP07900

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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12230.660.8427N6M

Compared structures

  • 7S98 · Cryogenic 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

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