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Structure and catalysis of acylaminoacyl peptidase

Analyse Structure and catalysis of acylaminoacyl peptidase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3O4I
Type
protein
Length
1,152 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Acylamino-acid-releasing enzyme
EC
3.4.19.1
UniProt
Q9YBQ2
Ligands
CL
Pockets
10 · best druggability 0.77

Structure

x-ray diffraction · 2 distinct chains · 22% helix, 40% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAcylamino-acid-releasing enzyme (EC 3.4.19.1)protein57622% helix, 40% strandQ9YBQ2
BAcylamino-acid-releasing enzyme (EC 3.4.19.1)protein57622% helix, 40% strandQ9YBQ2

Ligands and binding sites

  • CL · Chloride ion · ion · chains A
  • GOL · Glycerol · additive · 6 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13280.770.8842GOL
29820.740.77109GOL
39360.730.7799empty
41200.430.7723empty
51160.430.7723empty

Interfaces

1 interface between chains.

  • A–B · 1142 Ų buried · 10 hydrogen bonds · protein-protein

Compared structures

  • 3O4I · Structure and Catalysis of Acylaminoacyl Peptidase · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9YBQ2 · AlphaFold monomer V2.0 prediction for acylamino-acid-releasing enzyme (Q9YBQ2) · a predicted model of the same protein · chain A against A, TM-score 0.84

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