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X-ray structure of human glutamate carboxypeptidase II (the E424A inactive mutant) in complex with N-acetyl-aspartyl-methionine

Analyse X-ray structure of human glutamate carboxypeptidase II (the E424A inactive… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3SJX
Type
protein
Length
690 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glutamate carboxypeptidase 2
EC
3.4.17.21
UniProt
Q04609
Ligands
QRG, NAG, BMA, MAN, ZN, CA, CL
Pockets
6 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGlutamate carboxypeptidase 2 (EC 3.4.17.21)protein69037% helix, 19% strandQ04609

Ligands and binding sites

  • QRG · N-acetyl-L-alpha-aspartyl-L-methionine · ligand · chains A
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 9 copies · chains A
  • BMA · beta-D-mannopyranose · sugar
  • MAN · alpha-D-mannopyranose · sugar
  • ZN · Zinc ion · metal · 2 copies · chains A
  • CA · Calcium ion · metal · chains A
  • CL · Chloride 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
16460.760.8274QRG
22390.520.7639empty
31410.500.7920empty
4830.380.7720empty
5890.330.7324empty

Modifications

Observed in the structure: 6 glycan (N-glycosylation).

Compared structures

  • 3SJX · X-ray structure of human glutamate carboxypeptidase II (the E424A inactive mutant) in… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q04609 · AlphaFold monomer V2.0 prediction for glutamate carboxypeptidase 2 (Q04609) · a predicted model of the same protein · chain A against A, TM-score 1.00

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