MolNFT v1 · #190640 · protein
Structural insights into human brain gut peptide cholecystokinin receptors
7XOV · Isoform gnas-2 of guanine nucleotide-binding protein G(S)…: “Structural insights into human brain gut peptide cholecystokinin receptors”. Electron microscopy, 1 ligand (IA1), 12 pockets (best druggability 0.82). MolNFT v1 #190640 on…
- PDB
- 7XOV
- Type
- protein
- Length
- 1,036 residues
- Chains
- 5
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Isoform gnas-2 of guanine nucleotide-binding protein G(S) subunit alpha isoforms short…
- UniProt
- P62873, P59768, P32238
- Ligands
- IA1
- Pockets
- 12 · best druggability 0.82
Structure
electron microscopy · 5 distinct chains · 38% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Isoform gnas-2 of guanine nucleotide-binding protein G(S) subunit alpha isoforms short | protein | 227 | 44% helix, 19% strand | — |
| B | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1 | protein | 338 | 7% helix, 49% strand | P62873 |
| G | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2 | protein | 57 | 60% helix, 0% strand | P59768 |
| N | Nanobody 35 | protein | 126 | 5% helix, 45% strand | — |
| R | Cholecystokinin receptor type a | protein | 288 | 78% helix, 3% strand | P32238 |
Ligands and binding sites
- IA1 · 2-[2-[[4-(4-chloranyl-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]-5,7-dimethyl-indol-1-yl]ethanoic acid · ligand · chains R
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 806 | 0.82 | 0.85 | 61 | empty |
| 2 | 587 | 0.81 | 0.86 | 53 | IA1 |
| 3 | 877 | 0.74 | 0.78 | 72 | empty |
| 4 | 728 | 0.71 | 0.77 | 59 | empty |
| 5 | 163 | 0.67 | 0.87 | 28 | empty |
Interfaces
6 interfaces between chains.
- B–G · 2242 Ų buried · 20 hydrogen bonds · protein-protein
- A–R · 1422 Ų buried · 22 hydrogen bonds · protein-protein
- A–B · 1331 Ų buried · 18 hydrogen bonds · protein-protein
- A–N · 804 Ų buried · 4 hydrogen bonds · protein-protein
- B–N · 504 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 7XOV · Structural insights into human brain gut peptide cholecystokinin receptors · the same entry in another collection · chain R against R, 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 B against A, TM-score 0.99
- 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 G against A, TM-score 0.93
- P32238 · AlphaFold monomer V2.0 prediction for cholecystokinin receptor type a (P32238) · a predicted model of the same protein · chain R against A, TM-score 0.92
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 P62873
- Every structure of UniProt P59768
- Every structure of UniProt P32238
- Elsewhere: RCSB PDB 7XOV · PDBe 7XOV · UniProt P62873 · UniProt P59768 · UniProt P32238
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