MolNFT v1 · #81887 · protein
Human G protein-coupled receptor kinase 2 in complex with soluble gbetagamma subunits and paroxetine
3V5W · G-protein coupled receptor kinase 2: “Human G protein-coupled receptor kinase 2 in complex with soluble gbetagamma subunits and paroxetine”. X-ray diffraction, 2 ligands (8PR, MG), 12 pockets (best druggability 0.79). MolNFT v1…
- PDB
- 3V5W
- Type
- protein
- Length
- 1,019 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- G-protein coupled receptor kinase 2; Guanine nucleotide-binding protein G(I)/G(S)/G(T)…
- EC
- 2.7.11.15
- UniProt
- P25098, P62871, P63212
- Ligands
- 8PR, MG
- Pockets
- 12 · best druggability 0.79
Structure
x-ray diffraction · 3 distinct chains · 34% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | G-protein coupled receptor kinase 2 (EC 2.7.11.15) | protein | 623 | 45% helix, 16% strand | P25098 |
| B | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1 | protein | 339 | 8% helix, 47% strand | P62871 |
| G | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2 | protein | 57 | 61% helix, 0% strand | P63212 |
Ligands and binding sites
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 | 635 | 0.79 | 0.84 | 59 | empty |
| 2 | 517 | 0.72 | 0.81 | 57 | 8PR |
| 3 | 359 | 0.59 | 0.76 | 41 | empty |
| 4 | 207 | 0.53 | 0.77 | 28 | empty |
| 5 | 129 | 0.47 | 0.79 | 26 | empty |
Interfaces
2 interfaces between chains.
- B–G · 2222 Ų buried · 19 hydrogen bonds · protein-protein
- A–B · 1123 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 3V5W · Human G Protein-Coupled Receptor Kinase 2 in Complex with Soluble Gbetagamma Subunits and… · the same entry in another collection · chain A against A, TM-score 1.00
- P62871 · 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
- P25098 · AlphaFold monomer V2.0 prediction for beta-adrenergic receptor kinase 1 (P25098) · a predicted model of the same protein · chain A against A, TM-score 0.98
- P63212 · 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 0.66
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 P25098
- Every structure of UniProt P62871
- Every structure of UniProt P63212
- Elsewhere: RCSB PDB 3V5W · PDBe 3V5W · UniProt P25098 · UniProt P62871 · UniProt P63212
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.