Research workbench
Crystal structure of G protein-coupled receptor kinase 5 (GRK5) in complex with calmodulin (cam)
Analyse Crystal structure of G protein-coupled receptor kinase 5 (GRK5) in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6PJX
- Type
- protein
- Length
- 612 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- G protein-coupled receptor kinase 5; Calmodulin
- EC
- 2.7.11.16
- UniProt
- P34947, A0A094NJQ6
- Ligands
- ACE, SGV, CA
- Pockets
- 8 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 50% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | G protein-coupled receptor kinase 5 (EC 2.7.11.16) | protein | 542 | 49% helix, 10% strand | P34947 |
| B | Calmodulin | protein | 70 | 59% helix, 6% strand | A0A094NJQ6 |
Ligands and binding sites
- ACE · Acetyl group · ligand · chains A, B
- SGV · Sangivamycin · ligand · chains A
- CA · Calcium ion · metal · 2 copies · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 424 | 0.77 | 0.86 | 53 | SGV |
| 2 | 590 | 0.66 | 0.77 | 52 | empty |
| 3 | 254 | 0.52 | 0.75 | 36 | empty |
| 4 | 102 | 0.51 | 0.82 | 21 | empty |
| 5 | 89 | 0.39 | 0.77 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 816 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 6PJX · Crystal Structure of G Protein-Coupled Receptor Kinase 5 (GRK5) in Complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- P34947 · AlphaFold monomer V2.0 prediction for G protein-coupled receptor kinase 5 (P34947) · a predicted model of the same protein · chain A against A, TM-score 0.89
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 P34947
- Every structure of UniProt A0A094NJQ6
- Elsewhere: RCSB PDB 6PJX · PDBe 6PJX · UniProt P34947 · UniProt A0A094NJQ6
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