MolNFT v1 · #189467 · protein
MT2-remalteon-gi complex
7VH0 · Melatonin receptor type 1B: “MT2-remalteon-gi complex”. Electron microscopy, 1 ligand (JEV), 12 pockets (best druggability 0.81). MolNFT v1 #189467 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7VH0
- Type
- protein
- Length
- 1,109 residues
- Chains
- 5
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Melatonin receptor type 1B; Guanine nucleotide-binding protein G(I) subunit alpha-1…
- UniProt
- P49286, P63096, P54311
- Ligands
- JEV
- Pockets
- 12 · best druggability 0.81
Structure
electron microscopy · 5 distinct chains · 31% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Melatonin receptor type 1B | protein | 273 | 68% helix, 0% strand | P49286 |
| B | Guanine nucleotide-binding protein G(I) subunit alpha-1 | protein | 215 | 46% helix, 17% strand | P63096 |
| C | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1 | protein | 336 | 7% helix, 43% strand | P54311 |
| D | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit gamma-2 | protein | 54 | 56% helix, 0% strand | — |
| E | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit gamma-2 | protein | 231 | 4% helix, 42% strand | — |
Ligands and binding sites
- JEV · N-{2-[(8S)-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl}propanamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 251 | 0.81 | 0.93 | 35 | JEV |
| 2 | 845 | 0.80 | 0.83 | 65 | empty |
| 3 | 872 | 0.72 | 0.77 | 75 | empty |
| 4 | 223 | 0.57 | 0.79 | 37 | empty |
| 5 | 216 | 0.55 | 0.78 | 31 | empty |
Interfaces
6 interfaces between chains.
- C–D · 2017 Ų buried · 8 hydrogen bonds · protein-protein
- B–C · 1249 Ų buried · 11 hydrogen bonds · protein-protein
- A–B · 1050 Ų buried · 9 hydrogen bonds · protein-protein
- B–E · 586 Ų buried · 4 hydrogen bonds · protein-protein
- C–E · 443 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 7VH0 · MT2-remalteon-Gi complex · the same entry in another collection · chain E against E, TM-score 1.00
- P54311 · AlphaFold monomer V2.0 prediction for guanine nucleotide-binding protein G(I)/G(S)/G(T)… · a predicted model of the same protein · chain C against A, TM-score 0.99
- P49286 · AlphaFold monomer V2.0 prediction for melatonin receptor type 1B (P49286) · a predicted model of the same protein · chain A against A, TM-score 0.93
- P63096 · AlphaFold monomer V2.0 prediction for guanine nucleotide-binding protein G(I) subunit… · a predicted model of the same protein · chain B against A, TM-score 0.82
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 P49286
- Every structure of UniProt P63096
- Every structure of UniProt P54311
- Elsewhere: RCSB PDB 7VH0 · PDBe 7VH0 · UniProt P49286 · UniProt P63096 · UniProt P54311
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