MolNFT v1 · #103048 · protein
X-ray structure of human glutamate carboxypeptidase II (gcpii) in complex with a phosphoramidate inhibitor T33
4P4I · Glutamate carboxypeptidase 2: “X-ray structure of human glutamate carboxypeptidase II (gcpii) in complex with a phosphoramidate inhibitor T33”. X-ray diffraction, 7 ligands (2G5, NAG, BMA), 7 pockets (best druggability 0.75). MolNFT…
- PDB
- 4P4I
- Type
- protein
- Length
- 692 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
- 2G5, NAG, BMA, MAN, ZN, CA, CL
- Pockets
- 7 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutamate carboxypeptidase 2 (EC 3.4.17.21) | protein | 692 | 39% helix, 19% strand | Q04609 |
Ligands and binding sites
- 2G5 · N-[(S)-[(2S)-2-(benzoylamino)-2-carboxyethoxy](hydroxy)phosphoryl]-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
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 482 | 0.75 | 0.84 | 56 | ZN, 2G5 |
| 2 | 289 | 0.56 | 0.76 | 44 | empty |
| 3 | 122 | 0.51 | 0.80 | 18 | empty |
| 4 | 158 | 0.51 | 0.78 | 36 | empty |
| 5 | 141 | 0.45 | 0.77 | 28 | empty |
Modifications
Observed in the structure: 7 glycan (N-glycosylation).
Compared structures
- 4P4I · X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a… · 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
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q04609
- Elsewhere: RCSB PDB 4P4I · PDBe 4P4I · UniProt Q04609
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