MolNFT v1 · #147554 · protein
Crystal structure of the protein-kinase a catalytic subunit from criteculus griseus in complex with compounds RKP017 and RKP117
6EGW · Camp-dependent protein kinase catalytic subunit alpha: “Crystal structure of the protein-kinase a catalytic subunit from criteculus griseus in complex with compounds…”. X-ray diffraction, 2 ligands (9LQ, RIB), 3 pockets (best…
- PDB
- 6EGW
- Type
- protein
- Length
- 354 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Camp-dependent protein kinase catalytic subunit alpha; Camp-dependent protein kinase…
- UniProt
- P25321
- Ligands
- 9LQ, RIB
- Pockets
- 3 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Camp-dependent protein kinase catalytic subunit alpha | protein | 336 | 38% helix, 15% strand | P25321 |
| B | Camp-dependent protein kinase inhibitor | protein | 18 | 44% helix, 0% strand | — |
Ligands and binding sites
- 9LQ · [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl) methyl]phenyl]boronic acid · ligand · chains A
- RIB · alpha-D-ribofuranose · ligand · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 600 | 0.79 | 0.84 | 41 | 9LQ |
| 2 | 87 | 0.37 | 0.75 | 14 | empty |
| 3 | 74 | 0.31 | 0.74 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 806 Ų buried · 22 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 modified, 1 covalent (phosphorylation, covalent ligand).
Compared structures
- 6EGW · Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in… · the same entry in another collection · chain A against A, TM-score 1.00
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 P25321
- Elsewhere: RCSB PDB 6EGW · PDBe 6EGW · UniProt P25321
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