MolNFT v1 · #150914 · protein
X-ray structure of human glutamate carboxypeptidase II (gcpii) in complex with a inhibitor RNA 1-79-1
6H7Y · Glutamate carboxypeptidase 2: “X-ray structure of human glutamate carboxypeptidase II (gcpii) in complex with a inhibitor RNA 1-79-1”. X-ray diffraction, 8 ligands (TAM, FVZ, NAG), 7 pockets (best druggability 0.77). MolNFT v1…
- PDB
- 6H7Y
- Type
- protein
- Length
- 696 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
- TAM, FVZ, NAG, MAN, BMA, ZN, CA, CL
- Pockets
- 7 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutamate carboxypeptidase 2 (EC 3.4.17.21) | protein | 696 | 38% helix, 19% strand | Q04609 |
Ligands and binding sites
- TAM · Tris(hydroxyethyl)aminomethane · ligand · 2 copies · chains A
- FVZ · (2~{S})-2-[[(2~{S})-6-[(4-fluorophenyl)amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid · ligand · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 11 copies · chains A
- MAN · alpha-D-mannopyranose · sugar · 3 copies · chains A
- BMA · beta-D-mannopyranose · sugar · 2 copies · chains A
- ZN · Zinc ion · metal · 2 copies · chains A
- CA · Calcium ion · metal · chains A
- CL · Chloride ion · ion · 2 copies · chains A
- EDO · 1,2-ethanediol · additive · 6 copies · chains A
- PEG · Di(hydroxyethyl)ether · additive · 3 copies · chains A
- PGE · Triethylene glycol · additive · 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 743 | 0.77 | 0.82 | 81 | TAM, FVZ, CL |
| 2 | 248 | 0.54 | 0.77 | 38 | empty |
| 3 | 167 | 0.52 | 0.79 | 38 | PEG |
| 4 | 87 | 0.38 | 0.76 | 16 | empty |
| 5 | 92 | 0.34 | 0.74 | 21 | empty |
Modifications
Observed in the structure: 7 glycan (N-glycosylation).
Compared structures
- 6H7Y · 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 0.99
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 6H7Y · PDBe 6H7Y · UniProt Q04609
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