MolNFT v1 · #144674 · protein
Crystal structure of camp-dependent protein kinase calpha subunit bound with N46
6C0U · Camp-dependent protein kinase catalytic subunit alpha: “Crystal structure of camp-dependent protein kinase calpha subunit bound with N46”. X-ray diffraction, 2 ligands (EE4, PO4), 3 pockets (best druggability 0.71). MolNFT v1…
- PDB
- 6C0U
- Type
- protein
- Length
- 340 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Camp-dependent protein kinase catalytic subunit alpha
- EC
- 2.7.11.11
- UniProt
- P17612
- Ligands
- EE4, PO4
- Pockets
- 3 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Camp-dependent protein kinase catalytic subunit alpha (EC 2.7.11.11) | protein | 340 | 38% helix, 15% strand | P17612 |
Ligands and binding sites
- EE4 · N-[(3R,4R)-4-{[4-(2-fluoro-3-methoxy-6-propoxybenzene-1-carbonyl)benzene-1-carbonyl]amino}pyrrolidin-3-yl]-1H-indazole-5-carboxamide · ligand · chains A
- PO4 · Phosphate ion · ion · chains A
- DMS · Dimethyl sulfoxide · additive · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 340 | 0.71 | 0.83 | 34 | EE4, DMS |
| 2 | 362 | 0.58 | 0.76 | 37 | empty |
| 3 | 84 | 0.37 | 0.77 | 15 | empty |
Modifications
Observed in the structure: 2 modified (phosphorylation).
Compared structures
- 6C0U · Crystal structure of cAMP-dependent protein kinase Calpha subunit bound with N46 · the same entry in another collection · chain A against A, TM-score 1.00
- P17612 · AlphaFold monomer V2.0 prediction for camp-dependent protein kinase catalytic subunit… · a predicted model of the same protein · chain A against A, TM-score 0.92
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 P17612
- Elsewhere: RCSB PDB 6C0U · PDBe 6C0U · UniProt P17612
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.