MolNFT v1 · #182520 · protein
Cryoem structure of MGLU2 - gi complex
7MTS · Metabotropic glutamate receptor 2: “Cryoem structure of MGLU2 - gi complex”. Electron microscopy, 3 ligands (GLU, ZQY, NAG), 20 pockets (best druggability 0.83). MolNFT v1 #182520 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7MTS
- Type
- protein
- Length
- 2,148 residues
- Chains
- 5
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Metabotropic glutamate receptor 2; Guanine nucleotide-binding protein G(I) subunit…
- UniProt
- Q14416, P63096, P62873, P59768
- Ligands
- GLU, ZQY, NAG
- Pockets
- 20 · best druggability 0.83
Structure
electron microscopy · 5 distinct chains · 39% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Metabotropic glutamate receptor 2 | protein | 783 | 43% helix, 16% strand | Q14416 |
| B | Metabotropic glutamate receptor 2 | protein | 763 | 44% helix, 15% strand | Q14416 |
| C | Guanine nucleotide-binding protein G(I) subunit alpha-1 | protein | 207 | 46% helix, 18% strand | P63096 |
| D | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1 | protein | 338 | 9% helix, 45% strand | P62873 |
| E | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2 | protein | 57 | 56% helix, 0% strand | P59768 |
Ligands and binding sites
- GLU · Glutamic acid · ligand · 2 copies · chains A, B
- ZQY · 2-methoxy-6-propyl-N-(2-{4-[(1H-tetrazol-5-yl) methoxy]phenyl}ethyl)thieno[2,3-d]pyrimidin-4-amine · ligand · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 898 | 0.83 | 0.85 | 93 | GLU |
| 2 | 963 | 0.81 | 0.83 | 67 | empty |
| 3 | 356 | 0.76 | 0.86 | 35 | empty |
| 4 | 527 | 0.74 | 0.82 | 48 | ZQY |
| 5 | 450 | 0.71 | 0.82 | 59 | GLU |
Interfaces
4 interfaces between chains.
- D–E · 1704 Ų buried · 5 hydrogen bonds · protein-protein
- A–B · 1632 Ų buried · 8 hydrogen bonds · protein-protein
- C–D · 982 Ų buried · 1 hydrogen bond · protein-protein
- A–C · 893 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 17 disulfide, 2 glycan (disulfide, N-glycosylation).
Compared structures
- 7MTS · CryoEM Structure of mGlu2 - Gi Complex · the same entry in another collection · chain E against E, TM-score 1.00
- P62873 · AlphaFold monomer V2.0 prediction for guanine nucleotide-binding protein G(I)/G(S)/G(T)… · a predicted model of the same protein · chain D against A, TM-score 0.98
- Q14416 · AlphaFold monomer V2.0 prediction for metabotropic glutamate receptor 2 (Q14416) · a predicted model of the same protein · chain B against A, TM-score 0.87
- P63096 · AlphaFold monomer V2.0 prediction for guanine nucleotide-binding protein G(I) subunit… · a predicted model of the same protein · chain C against A, TM-score 0.80
- P59768 · AlphaFold monomer V2.0 prediction for guanine nucleotide-binding protein G(I)/G(S)/G(O)… · a predicted model of the same protein · chain E against A, TM-score 0.79
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
- Every structure of UniProt P63096
- Every structure of UniProt P62873
- Every structure of UniProt P59768
- Elsewhere: RCSB PDB 7MTS · PDBe 7MTS · UniProt Q14416 · UniProt P63096 · UniProt P62873 · UniProt P59768
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