MolNFT v1 · #84094 · protein
Michaelis complex of camp-dependent protein kinase catalytic subunit
3X2W · Camp-dependent protein kinase catalytic subunit alpha: “Michaelis complex of camp-dependent protein kinase catalytic subunit”. X-ray diffraction, 3 ligands (ATP, MG, CO3), 5 pockets (best druggability 0.80). MolNFT v1 #84094 on…
- PDB
- 3X2W
- Type
- protein
- Length
- 359 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Camp-dependent protein kinase catalytic subunit alpha; Substrate peptide
- EC
- 2.7.11.11
- UniProt
- P05132
- Ligands
- ATP, MG, CO3
- Pockets
- 5 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 37% 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 | 339 | 38% helix, 16% strand | P05132 |
| S | Substrate peptide | protein | 20 | 30% helix, 5% strand | — |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · chains A, S
- MG · Magnesium ion · metal · 2 copies · chains A, S
- CO3 · Carbonate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 328 | 0.80 | 0.90 | 42 | MG, ATP |
| 2 | 92 | 0.47 | 0.80 | 14 | empty |
| 3 | 101 | 0.39 | 0.76 | 19 | empty |
| 4 | 91 | 0.39 | 0.77 | 19 | empty |
| 5 | 81 | 0.32 | 0.73 | 14 | empty |
Interfaces
1 interface between chains.
- A–S · 1003 Ų buried · 23 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 modified (phosphorylation).
Compared structures
- 3X2W · Michaelis complex of cAMP-dependent Protein Kinase Catalytic Subunit · 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 P05132
- Elsewhere: RCSB PDB 3X2W · PDBe 3X2W · UniProt P05132
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