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MolNFT v1 · #96048 · protein

Middle domain of HSC70-interacting protein, crystal form II

4J8D: “Middle domain of HSC70-interacting protein, crystal form II”. X-ray diffraction, 6 pockets (best druggability 0.55). MolNFT v1 #96048 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4J8D
Type
protein
Length
642 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
HSC70-interacting protein
UniProt
P50503
Pockets
6 · best druggability 0.55

Structure

x-ray diffraction · 4 distinct chains · 70% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHSC70-interacting proteinprotein16170% helix, 0% strandP50503
BHSC70-interacting proteinprotein15969% helix, 0% strandP50503
CHSC70-interacting proteinprotein16072% helix, 0% strandP50503
DHSC70-interacting proteinprotein16269% helix, 0% strandP50503

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13720.550.7443empty
21850.490.7723empty
32230.490.7524empty
41660.470.7625empty
52130.460.7422empty

Interfaces

3 interfaces between chains.

  • C–D · 866 Ų buried · 10 hydrogen bonds · protein-protein
  • A–B · 444 Ų buried · 0 hydrogen bonds · protein-protein
  • A–D · 11 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 4J8D · Middle domain of Hsc70-interacting protein, crystal form II · the same entry in another collection · chain D against D, TM-score 1.00
  • P50503 · AlphaFold monomer V2.0 prediction for HSC70-interacting protein (P50503) · a predicted model of the same protein · chain B against A, TM-score 0.99

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