MolNFT v1 · #177658 · protein
Crystal structure of MGLU2 bound to NAM563
7EPE · Metabotropic glutamate receptor 2: “Crystal structure of MGLU2 bound to NAM563”. X-ray diffraction, 2 ligands (FMN, J9R), 2 pockets (best druggability 0.76). MolNFT v1 #177658 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 7EPE
- Type
- protein
- Length
- 389 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Metabotropic glutamate receptor 2
- Ligands
- FMN, J9R
- Pockets
- 2 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 65% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Metabotropic glutamate receptor 2 | protein | 389 | 65% helix, 10% strand | — |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · chains A
- J9R · 4-(1-methylpyrazol-4-yl)-7-[[(2~{S})-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 237 | 0.76 | 0.90 | 34 | J9R |
| 2 | 106 | 0.47 | 0.80 | 23 | FMN |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 7EPE · Crystal structure of mGlu2 bound to NAM563 · the same entry in another collection · 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
- Elsewhere: RCSB PDB 7EPE · PDBe 7EPE
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