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MolNFT v1 · #21244 · protein

The crystal structure of the human HSP70 ATPase domain

1S3X · Heat shock 70 kda protein 1: “The crystal structure of the human HSP70 ATPase domain”. X-ray diffraction, 4 ligands (ADP, CA, NA), 1 pocket (best druggability 0.79). MolNFT v1 #21244 on GenesisL1: 3D structure, binding sites and…

PDB
1S3X
Type
protein
Length
380 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Heat shock 70 kda protein 1
UniProt
P08107
Ligands
ADP, CA, NA, PO4
Pockets
1 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 28% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHeat shock 70 kda protein 1protein38040% helix, 28% strandP08107

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · chains A
  • CA · Calcium ion · metal · 2 copies · chains A
  • NA · Sodium ion · metal · 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
17590.790.8375PO4, CA, NA, ADP

Compared structures

  • 1S3X · The crystal structure of the human Hsp70 ATPase domain · the same entry in another collection · chain A against A, TM-score 1.00

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