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MolNFT v1 · #178110 · protein

Joint neutron and X-ray crystal structure of the nucleotide-binding domain of HSP72 in complex with ADP

7F4X · Heat shock 70 kda protein 1B: “Joint neutron and X-ray crystal structure of the nucleotide-binding domain of HSP72 in complex with ADP”. X-ray diffraction; neutron diffraction, 3 ligands (ADP, MG, NA), 1 pocket (best druggability…

PDB
7F4X
Type
protein
Length
378 residues
Chains
1
Method
x-ray diffraction; neutron diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Heat shock 70 kda protein 1B
UniProt
P0DMV9
Ligands
ADP, MG, NA
Pockets
1 · best druggability 0.77

Structure

x-ray diffraction; neutron diffraction · 1 distinct chain · 41% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHeat shock 70 kda protein 1Bprotein37841% helix, 29% strandP0DMV9

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · chains A
  • MG · Magnesium ion · metal · chains A
  • NA · Sodium ion · metal · 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
16960.770.8277ADP, MG, NA

Compared structures

  • 7F4X · Joint neutron and X-ray crystal structure of the nucleotide-binding domain of Hsp72 in… · the same entry in another collection · chain A against A, TM-score 1.00
  • P0DMV9 · AlphaFold monomer V2.0 prediction for heat shock 70 kda protein 1B (P0DMV9) · a predicted model of the same protein · chain A against A, TM-score 0.89

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