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MolNFT v1 · #19653 · protein

D199S mutant of bovine 70 kilodalton heat shock protein

1QQM: “D199S mutant of bovine 70 kilodalton heat shock protein”. X-ray diffraction, 5 ligands (ADP, MG, K), 1 pocket (best druggability 0.78). MolNFT v1 #19653 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1QQM
Type
protein
Length
378 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
D199S mutant of bovine 70 kilodalton heat shock protein
UniProt
P19120
Ligands
ADP, MG, K, CL, PO4
Pockets
1 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AD199S mutant of bovine 70 kilodalton heat shock proteinprotein37839% helix, 29% strandP19120

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · chains A
  • MG · Magnesium ion · metal · chains A
  • K · Potassium ion · metal · chains A
  • CL · Chloride ion · ion · 2 copies · chains A
  • PO4 · Phosphate ion · ion · 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
16850.780.8380MG, K, PO4, ADP

Compared structures

  • 1QQM · D199S mutant of bovine 70 kilodalton heat shock protein · the same entry in another collection · chain A against A, TM-score 1.00
  • P19120 · AlphaFold monomer V2.0 prediction for heat shock cognate 71 kda protein (P19120) · a predicted model of the same protein · chain A against A, TM-score 0.89

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