MolNFT v1 · #190411 · protein
Structure of thyrotropin-releasing hormone receptor bound with taltirelin.
7X1T · Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit…: “Structure of thyrotropin-releasing hormone receptor bound with taltirelin.”. Electron microscopy, 2 ligands (RGI, NH2), 17 pockets (best druggability 0.80). MolNFT v1…
- PDB
- 7X1T
- Type
- protein
- Length
- 1,081 residues
- Chains
- 6
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2; Thyrotropin-releasing…
- UniProt
- P63212, P34981, P62871
- Ligands
- RGI, NH2
- Pockets
- 17 · best druggability 0.80
Structure
electron microscopy · 6 distinct chains · 19% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| F | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2 | protein | 49 | 29% helix, 0% strand | P63212 |
| A | Thyrotropin-releasing hormone receptor | protein | 272 | 49% helix, 0% strand | P34981 |
| B | Mini-G alpha Q protein | protein | 218 | 22% helix, 16% strand | — |
| C | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1 | protein | 330 | 2% helix, 44% strand | P62871 |
| D | SCFV16 | protein | 209 | 1% helix, 12% strand | — |
| E | Taltirelin | protein | 3 | 0% helix, 0% strand | — |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 596 | 0.80 | 0.86 | 53 | empty |
| 2 | 261 | 0.76 | 0.89 | 54 | empty |
| 3 | 955 | 0.75 | 0.78 | 71 | empty |
| 4 | 81 | 0.71 | 0.94 | 20 | empty |
| 5 | 399 | 0.70 | 0.82 | 67 | empty |
Interfaces
7 interfaces between chains.
- F–C · 1454 Ų buried · 3 hydrogen bonds · protein-protein
- B–C · 1282 Ų buried · 7 hydrogen bonds · protein-protein
- A–B · 1124 Ų buried · 7 hydrogen bonds · protein-protein
- B–D · 578 Ų buried · 5 hydrogen bonds · protein-protein
- C–D · 413 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide, 1 covalent (disulfide, covalent ligand).
Compared structures
- 7X1T · Structure of Thyrotropin-Releasing Hormone Receptor bound with Taltirelin. · the same entry in another collection · chain E against E, TM-score 1.00
- P62871 · 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
- P34981 · AlphaFold monomer V2.0 prediction for thyrotropin-releasing hormone receptor (P34981) · a predicted model of the same protein · chain A against A, TM-score 0.93
- P63212 · AlphaFold monomer V2.0 prediction for guanine nucleotide-binding protein G(I)/G(S)/G(O)… · a predicted model of the same protein · chain F against A, TM-score 0.62
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 P63212
- Every structure of UniProt P34981
- Every structure of UniProt P62871
- Elsewhere: RCSB PDB 7X1T · PDBe 7X1T · UniProt P63212 · UniProt P34981 · UniProt P62871
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