Research workbench
Crystal structure of the cholecystokinin receptor cckar in complex with devazepide
Analyse Crystal structure of the cholecystokinin receptor cckar in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7F8Y
- Type
- protein
- Length
- 438 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fusion protein of cholecystokinin receptor type a and endolysin
- EC
- 3.2.1.17
- UniProt
- P32238, P00720
- Ligands
- 1OZ
- Pockets
- 5 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 75% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fusion protein of cholecystokinin receptor type a and endolysin (EC 3.2.1.17) | protein | 438 | 75% helix, 7% strand | P32238, P00720 |
Ligands and binding sites
- 1OZ · N-[(3S)-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 558 | 0.80 | 0.86 | 56 | 1OZ |
| 2 | 257 | 0.54 | 0.76 | 32 | empty |
| 3 | 161 | 0.50 | 0.78 | 17 | empty |
| 4 | 181 | 0.46 | 0.74 | 23 | empty |
| 5 | 68 | 0.32 | 0.74 | 13 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 7F8Y · Crystal structure of the cholecystokinin receptor CCKAR in complex with devazepide · the same entry in another collection · chain A against A, TM-score 1.00
- P32238 · AlphaFold monomer V2.0 prediction for cholecystokinin receptor type a (P32238) · a predicted model of the same protein · chain A against A, TM-score 0.67
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 P32238
- Every structure of UniProt P00720
- Elsewhere: RCSB PDB 7F8Y · PDBe 7F8Y · UniProt P32238 · UniProt P00720
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