MolNFT v1 · #190639 · protein
Structural insights into human brain gut peptide cholecystokinin receptors
7XOU · Cck-8: “Structural insights into human brain gut peptide cholecystokinin receptors”. Electron microscopy, 1 ligand (NH2), 11 pockets (best druggability 0.85). MolNFT v1 #190639 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 7XOU
- Type
- protein
- Length
- 1,043 residues
- Chains
- 6
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cck-8; Isoform gnas-2 of guanine nucleotide-binding protein G(S) subunit alpha isoforms…
- UniProt
- P62873, P59768, P32238
- Ligands
- NH2
- Pockets
- 11 · best druggability 0.85
Structure
electron microscopy · 6 distinct chains · 35% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| L | Cck-8 | protein | 8 | 0% helix, 0% strand | — |
| A | Isoform gnas-2 of guanine nucleotide-binding protein G(S) subunit alpha isoforms short | protein | 227 | 43% helix, 15% strand | — |
| B | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1 | protein | 338 | 8% helix, 47% strand | P62873 |
| G | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2 | protein | 57 | 54% helix, 0% strand | P59768 |
| N | Nanobody 35 | protein | 126 | 5% helix, 43% strand | — |
| R | Cholecystokinin receptor type a | protein | 287 | 72% helix, 3% strand | P32238 |
Ligands and binding sites
- NH2 · Amino group · ion · chains L, R
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 953 | 0.85 | 0.86 | 77 | empty |
| 2 | 761 | 0.74 | 0.79 | 48 | empty |
| 3 | 1112 | 0.74 | 0.77 | 71 | empty |
| 4 | 374 | 0.71 | 0.83 | 46 | empty |
| 5 | 55 | 0.67 | 0.95 | 12 | empty |
Interfaces
7 interfaces between chains.
- B–G · 2095 Ų buried · 12 hydrogen bonds · protein-protein
- A–B · 1403 Ų buried · 23 hydrogen bonds · protein-protein
- A–R · 1245 Ų buried · 7 hydrogen bonds · protein-protein
- L–R · 981 Ų buried · 3 hydrogen bonds · protein-protein
- A–N · 918 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide, 1 modified (disulfide, sulfation).
Compared structures
- 7XOU · 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
- 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
- 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 0.89
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 7XOU · PDBe 7XOU · UniProt P62873 · UniProt P59768 · UniProt P32238
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