MolNFT v1 · #187024 · protein
Oxytocin receptor (otr) bound to oxytocin in complex with a heterotrimeric gq protein
7RYC: “Oxytocin receptor (otr) bound to oxytocin in complex with a heterotrimeric gq protein”. Electron microscopy, 2 ligands (MG, NH2), 15 pockets (best druggability 0.81). MolNFT v1 #187024 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7RYC
- Type
- protein
- Length
- 1,125 residues
- Chains
- 5
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Oxytocin; Oxytocin receptor; Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit…
- UniProt
- P01178, P30559, P62873
- Ligands
- MG, NH2
- Pockets
- 15 · best druggability 0.81
Structure
electron microscopy · 5 distinct chains · 31% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| L | Oxytocin | protein | 9 | 0% helix, 0% strand | P01178 |
| O | Oxytocin receptor | protein | 285 | 72% helix, 5% strand | P30559 |
| D | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, guanine nucleotide-binding protein G(I) subunit alpha-2, guanine nucleotide-binding protein G(S) subunit alpha isoforms short | protein | 263 | 47% helix, 14% strand | — |
| C | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1 | protein | 338 | 7% helix, 44% strand | P62873 |
| E | SCFV16 | protein | 230 | 1% helix, 41% strand | — |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1054 | 0.81 | 0.82 | 73 | empty |
| 2 | 149 | 0.71 | 0.90 | 23 | MG |
| 3 | 506 | 0.66 | 0.77 | 59 | empty |
| 4 | 154 | 0.52 | 0.80 | 22 | empty |
| 5 | 99 | 0.52 | 0.83 | 24 | empty |
Interfaces
5 interfaces between chains.
- D–C · 2867 Ų buried · 12 hydrogen bonds · protein-protein
- L–O · 843 Ų buried · 3 hydrogen bonds · protein-protein
- O–D · 750 Ų buried · 5 hydrogen bonds · protein-protein
- D–E · 520 Ų buried · 4 hydrogen bonds · protein-protein
- C–E · 395 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 7RYC · Oxytocin receptor (OTR) bound to oxytocin in complex with a heterotrimeric Gq protein · 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 C against A, TM-score 0.98
- P30559 · AlphaFold monomer V2.0 prediction for oxytocin receptor (P30559) · a predicted model of the same protein · chain O against A, TM-score 0.86
- P01178 · AlphaFold monomer V2.0 prediction for oxytocin-neurophysin 1 (P01178) · a predicted model of the same protein · chain L against A, TM-score 0.43
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 P01178
- Every structure of UniProt P30559
- Every structure of UniProt P62873
- Elsewhere: RCSB PDB 7RYC · PDBe 7RYC · UniProt P01178 · UniProt P30559 · UniProt P62873
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