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Crystal structure of unhydrolyzed ATP bound human HSP70 nbd double mutant E268Q+R272K.

Analyse Crystal structure of unhydrolyzed ATP bound human HSP70 nbd double mutant… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5BPM
Type
protein
Length
378 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Heat shock 70 kda protein 1A
UniProt
P0DMV8
Ligands
ATP, MG, NA, CL
Pockets
1 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHeat shock 70 kda protein 1Aprotein37840% helix, 29% strandP0DMV8

Ligands and binding sites

  • ATP · Adenosine-5'-triphosphate · ligand · chains A
  • MG · Magnesium ion · metal · chains A
  • NA · Sodium ion · metal · chains A
  • CL · Chloride ion · ion · 2 copies · 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
18370.770.8070ATP, MG, NA

Compared structures

  • 5BPM · Crystal structure of unhydrolyzed ATP bound human Hsp70 NBD double mutant E268Q+R272K. · the same entry in another collection · chain A against A, TM-score 1.00
  • P0DMV8 · AlphaFold monomer V2.0 prediction for heat shock 70 kda protein 1A (P0DMV8) · a predicted model of the same protein · chain A against A, TM-score 0.89

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