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MolNFT v1 · #59815 · protein

Crystal structure of semet VPS75

3C9B · Vacuolar protein sorting-associated protein 75: “Crystal structure of semet VPS75”. X-ray diffraction, 2 pockets (best druggability 0.58). MolNFT v1 #59815 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3C9B
Type
protein
Length
397 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Vacuolar protein sorting-associated protein 75
UniProt
P53853
Pockets
2 · best druggability 0.58

Structure

x-ray diffraction · 2 distinct chains · 51% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AVacuolar protein sorting-associated protein 75protein19851% helix, 16% strandP53853
BVacuolar protein sorting-associated protein 75protein19951% helix, 16% strandP53853

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12160.580.7934empty
22460.560.7834empty

Interfaces

1 interface between chains.

  • A–B · 1406 Ų buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 modified (engineered).

Compared structures

  • 3C9B · Crystal structure of SeMet Vps75 · the same entry in another collection · chain A against A, TM-score 1.00
  • P53853 · AlphaFold monomer V2.0 prediction for vacuolar protein sorting- associated protein 75… · a predicted model of the same protein · chain B against A, TM-score 0.99

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