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MolNFT v1 · #74346 · protein

Re-refined 3CS0

3OU0 · Periplasmic serine endoprotease degp: “Re-refined 3CS0”. X-ray diffraction, 7 pockets (best druggability 0.64). MolNFT v1 #74346 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3OU0
Type
protein
Length
404 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Periplasmic serine endoprotease degp; Pentapeptide; Heptapeptide
EC
3.4.21.-
UniProt
P0C0V0
Pockets
7 · best druggability 0.64

Structure

x-ray diffraction · 3 distinct chains · 16% helix, 41% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APeriplasmic serine endoprotease degp (EC 3.4.21.-)protein39217% helix, 41% strandP0C0V0
BPentapeptideprotein50% helix, 60% strand—
CHeptapeptideprotein70% helix, 29% strand—

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12270.640.8329empty
21780.540.7924empty
3790.430.8022empty
41060.420.7827empty
5930.340.7418empty

Interfaces

2 interfaces between chains.

  • A–C · 383 Ų buried · 5 hydrogen bonds · protein-protein
  • A–B · 331 Ų buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 13 modified (engineered).

Compared structures

  • 3OU0 · re-refined 3CS0 · the same entry in another collection · chain A against A, TM-score 1.00
  • P0C0V0 · AlphaFold monomer V2.0 prediction for periplasmic serine endoprotease degp (P0C0V0) · a predicted model of the same protein · chain A against A, TM-score 0.98

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