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MolNFT v1 · #99746 · protein

A high resolution structure of human glutamate carboxypeptidase II (gcpii) in complex with folyl-gamma-L-glutamic acid (pteroyldi-gamma- L-glutamic acid)

4MCP · Glutamate carboxypeptidase 2: “A high resolution structure of human glutamate carboxypeptidase II (gcpii) in complex with…”. X-ray diffraction, 7 ligands (28Z, NAG, BMA), 4 pockets (best druggability 0.79). MolNFT v1 #99746 on…

PDB
4MCP
Type
protein
Length
693 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
28Z, NAG, BMA, MAN, ZN, CA, CL
Pockets
4 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGlutamate carboxypeptidase 2 (EC 3.4.17.21)protein69339% helix, 19% strandQ04609

Ligands and binding sites

  • 28Z · N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-L-gamma-glutamyl-L-glutamic acid · ligand · chains A
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 11 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

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17070.790.8479ZN, 28Z
22400.520.7640empty
31250.460.7829empty
4530.350.7815empty

Modifications

Observed in the structure: 7 glycan (N-glycosylation).

Compared structures

  • 4MCP · A high resolution structure of human glutamate carboxypeptidase II (GCPII) in complex… · 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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