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Crystal structure of a fusion protein containing the nbd of HSP70 and the middle domain of hip

Analyse Crystal structure of a fusion protein containing the nbd of HSP70 and the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4J8F
Type
protein
Length
551 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Heat shock 70 kda protein 1A/1B, HSC70-interacting protein
UniProt
P08107, P50503
Ligands
ADP, MG, IOD, PO4
Pockets
6 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 50% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHeat shock 70 kda protein 1A/1B, HSC70-interacting proteinprotein55150% helix, 19% strandP08107, P50503

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · chains A
  • MG · Magnesium ion · metal · chains A
  • IOD · Iodide ion · ion · 17 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

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16470.770.8369ADP, MG, PO4, IOD
25960.650.7662IOD
31520.540.8120IOD
4930.440.7920empty
5940.340.7417empty

Compared structures

  • 4J8F · Crystal structure of a fusion protein containing the NBD of Hsp70 and the middle domain… · the same entry in another collection · chain A against A, TM-score 1.00
  • P50503 · AlphaFold monomer V2.0 prediction for HSC70-interacting protein (P50503) · a predicted model of the same protein · chain A against A, TM-score 0.34

Analyse

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