MolNFT v1 · #98437 · protein
Bovine G protein coupled receptor kinase 1 in complex with paroxetine
4L9I · Rhodopsin kinase: “Bovine G protein coupled receptor kinase 1 in complex with paroxetine”. X-ray diffraction, 2 ligands (8PR, CL), 12 pockets (best druggability 0.69). MolNFT v1 #98437 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4L9I
- Type
- protein
- Length
- 997 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Rhodopsin kinase
- EC
- 2.7.11.14
- UniProt
- P28327
- Ligands
- 8PR, CL
- Pockets
- 12 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Rhodopsin kinase (EC 2.7.11.14) | protein | 504 | 47% helix, 11% strand | P28327 |
| B | Rhodopsin kinase (EC 2.7.11.14) | protein | 493 | 47% helix, 11% strand | P28327 |
Ligands and binding sites
- 8PR · Paroxetine · ligand · 2 copies · chains A, B
- CL · Chloride ion · ion · 2 copies · chains A, B
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 467 | 0.69 | 0.80 | 52 | 8PR |
| 2 | 408 | 0.67 | 0.80 | 47 | 8PR |
| 3 | 192 | 0.57 | 0.80 | 30 | CL |
| 4 | 214 | 0.57 | 0.79 | 27 | CL |
| 5 | 232 | 0.49 | 0.75 | 40 | empty |
Interfaces
1 interface between chains.
- A–B · 1104 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
- 4L9I · Bovine G Protein Coupled Receptor Kinase 1 in Complex with Paroxetine · 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 0.99
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 4L9I · PDBe 4L9I · UniProt P28327
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