MolNFT v1 · #3482 · protein
Structure of the mammalian catalytic subunit of camp-dependent protein kinase and an inhibitor peptide displays an open conformation
1CTP: “Structure of the mammalian catalytic subunit of camp-dependent protein kinase and an inhibitor peptide…”. X-ray diffraction, 1 ligand (MYR), 5 pockets (best druggability 0.69). MolNFT v1 #3482 on GenesisL1: 3D structure, binding…
- PDB
- 1CTP
- Type
- protein
- Length
- 351 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Camp-dependent protein kinase; Camp-dependent protein kinase inhibitor, alpha form
- EC
- 2.7.1.37
- UniProt
- P36887, P61925
- Ligands
- MYR
- Pockets
- 5 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| E | Camp-dependent protein kinase (EC 2.7.1.37) | protein | 333 | 39% helix, 15% strand | P36887 |
| I | Camp-dependent protein kinase inhibitor, alpha form | protein | 18 | 22% helix, 0% strand | P61925 |
Ligands and binding sites
- MYR · Myristic acid · ligand · chains E
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 | 590 | 0.69 | 0.78 | 43 | empty |
| 2 | 96 | 0.48 | 0.80 | 17 | MYR |
| 3 | 68 | 0.33 | 0.76 | 22 | empty |
| 4 | 57 | 0.33 | 0.77 | 19 | empty |
| 5 | 75 | 0.32 | 0.75 | 17 | empty |
Interfaces
1 interface between chains.
- E–I · 841 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (nonstandard, phosphorylation).
Compared structures
- 1CTP · Structure of the mammalian catalytic subunit of camp-dependent protein kinase and an… · the same entry in another collection · chain E against E, TM-score 1.00
- P36887 · AlphaFold monomer V2.0 prediction for camp-dependent protein kinase catalytic subunit… · a predicted model of the same protein · chain E against A, TM-score 0.96
- P61925 · 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 0.38
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 P36887
- Every structure of UniProt P61925
- Elsewhere: RCSB PDB 1CTP · PDBe 1CTP · UniProt P36887 · UniProt P61925
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