MolNFT v1 · #108576 · protein
Crystal structure of human camp-dependent protein kinase a (catalytic alpha subunit)
4WB5 · Camp-dependent protein kinase catalytic subunit alpha: “Crystal structure of human camp-dependent protein kinase a (catalytic alpha subunit)”. X-ray diffraction, 2 ligands (ATP, MG), 6 pockets (best druggability 0.83). MolNFT v1…
- PDB
- 4WB5
- Type
- protein
- Length
- 358 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Camp-dependent protein kinase catalytic subunit alpha; Pki (5-24)
- EC
- 2.7.11.11
- UniProt
- P17612
- Ligands
- ATP, MG
- Pockets
- 6 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 36% 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 | 338 | 37% helix, 15% strand | P17612 |
| I | Pki (5-24) | protein | 20 | 30% helix, 5% strand | — |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · chains A, I
- MG · Magnesium ion · metal · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 187 | 0.83 | 0.97 | 40 | ATP, MG |
| 2 | 82 | 0.45 | 0.80 | 12 | empty |
| 3 | 106 | 0.43 | 0.78 | 20 | empty |
| 4 | 118 | 0.37 | 0.74 | 28 | empty |
| 5 | 102 | 0.32 | 0.72 | 18 | empty |
Interfaces
1 interface between chains.
- A–I · 1141 Ų buried · 24 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 modified (phosphorylation).
Compared structures
- 4WB5 · Crystal structure of human cAMP-dependent protein kinase A (catalytic alpha subunit) · 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 0.99
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 4WB5 · PDBe 4WB5 · UniProt P17612
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