MolNFT v1 · #103667 · protein
Bovine G protein-coupled receptor kinase 1 in complex with GSK2163632A
4PNI · Rhodopsin kinase: “Bovine G protein-coupled receptor kinase 1 in complex with GSK2163632A”. X-ray diffraction, 2 ligands (KQQ, CL), 6 pockets (best druggability 0.66). MolNFT v1 #103667 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4PNI
- Type
- protein
- Length
- 492 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Rhodopsin kinase
- EC
- 2.7.11.14
- UniProt
- P28327
- Ligands
- KQQ, CL
- Pockets
- 6 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 49% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Rhodopsin kinase (EC 2.7.11.14) | protein | 492 | 49% helix, 12% strand | P28327 |
Ligands and binding sites
- KQQ · 3-[(2-{[1-(N,N-dimethylglycyl)-6-methoxy-4,4-dimethyl-1,2,3,4-tetrahydroquinolin-7-yl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]thiophene-2-carboxamide · ligand · chains A
- CL · Chloride ion · ion · 6 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 328 | 0.66 | 0.81 | 29 | KQQ |
| 2 | 253 | 0.51 | 0.75 | 42 | empty |
| 3 | 106 | 0.50 | 0.81 | 24 | CL |
| 4 | 141 | 0.43 | 0.76 | 23 | empty |
| 5 | 104 | 0.33 | 0.72 | 20 | empty |
Compared structures
- 4PNI · Bovine G protein-coupled receptor kinase 1 in complex with GSK2163632A · the same entry in another collection · chain A against A, TM-score 1.00
- P28327 · AlphaFold monomer V2.0 prediction for rhodopsin kinase GRK1 (P28327) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 P28327
- Elsewhere: RCSB PDB 4PNI · PDBe 4PNI · UniProt P28327
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