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Crystal structure of nucleotide-free human HSP70 nbd.

Analyse Crystal structure of nucleotide-free human HSP70 nbd. in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5BN8
Type
protein
Length
379 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
MG, NA, PO4, CL
Pockets
3 · best druggability 0.79

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
AHeat shock 70 kda protein 1Aprotein37941% helix, 28% strandP0DMV8

Ligands and binding sites

  • MG · Magnesium ion · metal · 2 copies · chains A
  • NA · Sodium ion · metal · chains A
  • PO4 · Phosphate ion · ion · 4 copies · chains A
  • CL · Chloride ion · ion · chains A
  • EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains A

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

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12180.790.9337MG, PO4, NA
23380.600.7732empty
31680.430.7428empty

Compared structures

  • 5BN8 · Crystal structure of nucleotide-free human Hsp70 NBD. · 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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