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Crystal structure of bovine HSC70 (1-394AA)IN the ADP state

Analyse Crystal structure of bovine HSC70 (1-394AA)IN the ADP state in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2QWL
Type
protein
Length
762 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Heat shock cognate 71 kda protein
UniProt
P19120
Ligands
ADP, NA, MG
Pockets
5 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 28% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BHeat shock cognate 71 kda proteinprotein38141% helix, 28% strandP19120

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, B
  • NA · Sodium ion · metal · 4 copies · chains A, B
  • MG · Magnesium ion · metal · 2 copies · chains A, B
  • GOL · Glycerol · additive · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15810.750.8359MG, NA, ADP
25100.750.8358MG, NA, ADP
32410.510.7542empty
41710.440.7426empty
51410.410.7520empty

Interfaces

1 interface between chains.

  • A–B · 505 Ų buried · 8 hydrogen bonds · protein-protein

Compared structures

  • 2QWL · Crystal structure of bovine hsc70 (1-394aa)in the ADP state · 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 0.88

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