Research workbench
Bovine G protein coupled receptor kinase 1 in complex with amlexanox
Analyse Bovine G protein coupled receptor kinase 1 in complex with amlexanox in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4WBO
- Type
- protein
- Length
- 1,964 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Rhodopsin kinase
- EC
- 2.7.11.14
- UniProt
- P28327
- Ligands
- ANW, CL
- Pockets
- 20 · best druggability 0.76
Structure
x-ray diffraction · 4 distinct chains · 46% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Rhodopsin kinase (EC 2.7.11.14) | protein | 497 | 46% helix, 11% strand | P28327 |
| B | Rhodopsin kinase (EC 2.7.11.14) | protein | 495 | 46% helix, 11% strand | P28327 |
| C | Rhodopsin kinase (EC 2.7.11.14) | protein | 481 | 47% helix, 12% strand | P28327 |
| D | Rhodopsin kinase (EC 2.7.11.14) | protein | 491 | 46% helix, 11% strand | P28327 |
Ligands and binding sites
- ANW · 2-amino-7-(1-methylethyl)-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid · ligand · 4 copies · chains A, B, C, D
- CL · Chloride ion · ion · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 761 | 0.76 | 0.81 | 72 | ANW |
| 2 | 1081 | 0.76 | 0.79 | 92 | empty |
| 3 | 614 | 0.73 | 0.80 | 61 | ANW |
| 4 | 555 | 0.73 | 0.81 | 53 | ANW |
| 5 | 270 | 0.61 | 0.79 | 30 | ANW |
Interfaces
5 interfaces between chains.
- B–D · 692 Ų buried · 6 hydrogen bonds · protein-protein
- A–C · 489 Ų buried · 3 hydrogen bonds · protein-protein
- A–D · 139 Ų buried · 1 hydrogen bond · protein-protein
- C–D · 121 Ų buried · 1 hydrogen bond · protein-protein
- B–C · 13 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4WBO · Bovine G Protein Coupled Receptor Kinase 1 in Complex with Amlexanox · the same entry in another collection · chain D against D, TM-score 1.00
- P28327 · AlphaFold monomer V2.0 prediction for rhodopsin kinase GRK1 (P28327) · a predicted model of the same protein · chain D 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 4WBO · PDBe 4WBO · UniProt P28327
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