MolNFT v1 · #125124 · protein
Metabotropic glutamate receptor in complex with antagonist (1~{S}, 2~{R},3~{S},4~{S},5~{R},6~{R})-2-azanyl-3-[[3,4-BIS(FLUORANYL) PHENYL]SULFANYLMETHYL]-4-oxidanyl-BICYCLO[3.1.0]HEXANE-2,6- dicarboxylic acid
5KZQ · Metabotropic glutamate receptor 2: “Metabotropic glutamate receptor in complex with antagonist (1~{S}…”. X-ray diffraction, 2 ligands (6YS, NAG), 4 pockets (best druggability 0.58). MolNFT v1 #125124 on GenesisL1: 3D structure…
- PDB
- 5KZQ
- Type
- protein
- Length
- 503 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Metabotropic glutamate receptor 2
- UniProt
- Q14416
- Ligands
- 6YS, NAG
- Pockets
- 4 · best druggability 0.58
Structure
x-ray diffraction · 1 distinct chain · 31% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Metabotropic glutamate receptor 2 | protein | 503 | 31% helix, 21% strand | Q14416 |
Ligands and binding sites
- 6YS · (1~{S},2~{R},3~{S},4~{S},5~{R},6~{R})-2-azanyl-3-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]-4-oxidanyl-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid · ligand · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 374 | 0.58 | 0.76 | 36 | 6YS |
| 2 | 91 | 0.57 | 0.86 | 19 | empty |
| 3 | 68 | 0.44 | 0.81 | 13 | empty |
| 4 | 92 | 0.39 | 0.77 | 21 | empty |
Modifications
Observed in the structure: 6 disulfide, 1 glycan (disulfide, N-glycosylation).
Compared structures
- 5KZQ · Metabotropic Glutamate Receptor in complex with antagonist… · the same entry in another collection · chain A against A, TM-score 1.00
- Q14416 · AlphaFold monomer V2.0 prediction for metabotropic glutamate receptor 2 (Q14416) · a predicted model of the same protein · chain A against A, TM-score 0.85
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 Q14416
- Elsewhere: RCSB PDB 5KZQ · PDBe 5KZQ · UniProt Q14416
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