MolNFT v1 · #94214 · protein
Crystal structure of the catalytic subunit of camp-dependent protein kinase displaying complete phosphoryl transfer of AMP-pnp onto a substrate peptide
4HPT · Camp-dependent protein kinase catalytic subunit alpha: “Crystal structure of the catalytic subunit of camp-dependent protein kinase displaying complete phosphoryl…”. X-ray diffraction, 2 ligands (ANP, MG), 4 pockets (best…
- PDB
- 4HPT
- Type
- protein
- Length
- 356 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…
- EC
- 2.7.11.11
- UniProt
- P05132, P63248
- Ligands
- ANP, MG
- Pockets
- 4 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| E | Camp-dependent protein kinase catalytic subunit alpha (EC 2.7.11.11) | protein | 337 | 36% helix, 16% strand | P05132 |
| I | Camp-dependent protein kinase inhibitor alpha | protein | 19 | 37% helix, 5% strand | P63248 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · chains E, I
- MG · Magnesium ion · metal · 2 copies · chains E, I
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 191 | 0.80 | 0.95 | 40 | ANP, MG |
| 2 | 79 | 0.45 | 0.80 | 12 | empty |
| 3 | 100 | 0.39 | 0.76 | 16 | empty |
| 4 | 82 | 0.31 | 0.73 | 13 | empty |
Interfaces
1 interface between chains.
- E–I · 1077 Ų buried · 24 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 modified (phosphorylation).
Compared structures
- 4HPT · Crystal structure of the catalytic subunit of cAMP-dependent protein kinase displaying… · the same entry in another collection · chain E against E, TM-score 1.00
- P63248 · AlphaFold monomer V2.0 prediction for camp-dependent protein kinase inhibitor alpha… · a predicted model of the same protein · chain I against A, TM-score 0.41
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
- Every structure of UniProt P63248
- Elsewhere: RCSB PDB 4HPT · PDBe 4HPT · UniProt P05132 · UniProt P63248
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