MolNFT v1 · #30886 · protein
Crystal structure of G protein coupled receptor kinase 6 bound to amppnp
2ACX · G protein-coupled receptor kinase 6: “Crystal structure of G protein coupled receptor kinase 6 bound to amppnp”. X-ray diffraction, 3 ligands (ANP, MG, PO4), 18 pockets (best druggability 0.64). MolNFT v1 #30886 on GenesisL1: 3D…
- PDB
- 2ACX
- Type
- protein
- Length
- 987 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- G protein-coupled receptor kinase 6
- EC
- 2.7.1.-
- UniProt
- P43250
- Ligands
- ANP, MG, PO4
- Pockets
- 18 · best druggability 0.64
Structure
x-ray diffraction · 2 distinct chains · 49% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | G protein-coupled receptor kinase 6 (EC 2.7.1.-) | protein | 495 | 49% helix, 12% strand | P43250 |
| B | G protein-coupled receptor kinase 6 (EC 2.7.1.-) | protein | 492 | 49% helix, 12% strand | P43250 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies
- PO4 · Phosphate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
18 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 332 | 0.64 | 0.80 | 42 | MG, ANP |
| 2 | 138 | 0.64 | 0.87 | 24 | empty |
| 3 | 168 | 0.64 | 0.85 | 29 | empty |
| 4 | 348 | 0.61 | 0.77 | 41 | MG, ANP |
| 5 | 367 | 0.55 | 0.74 | 48 | empty |
Interfaces
1 interface between chains.
- A–B · 1438 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 2ACX · Crystal Structure of G protein coupled receptor kinase 6 bound to AMPPNP · the same entry in another collection · chain A against A, TM-score 1.00
- P43250 · AlphaFold monomer V2.0 prediction for G protein-coupled receptor kinase 6 (P43250) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 P43250
- Elsewhere: RCSB PDB 2ACX · PDBe 2ACX · UniProt P43250
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