Research workbench
Crystal structure of a polyhistidine-tagged recombinant catalytic subunit of camp-dependent protein kinase complexed with the peptide inhibitor PKI(5-24) and adenosine
Analyse Crystal structure of a polyhistidine-tagged recombinant catalytic subunit of… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1FMO
- Type
- protein
- Length
- 358 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Camp-dependent protein kinase; Heat stable rabbit skeletal muscle inhibitor protein
- EC
- 2.7.1.37
- UniProt
- P05132, P61926
- Ligands
- ADN
- Pockets
- 7 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| E | Camp-dependent protein kinase (EC 2.7.1.37) | protein | 338 | 36% helix, 16% strand | P05132 |
| I | Heat stable rabbit skeletal muscle inhibitor protein | protein | 20 | 35% helix, 5% strand | P61926 |
Ligands and binding sites
- ADN · Adenosine · ligand · chains E, I
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 192 | 0.80 | 0.95 | 37 | ADN |
| 2 | 68 | 0.41 | 0.79 | 12 | empty |
| 3 | 115 | 0.39 | 0.75 | 20 | empty |
| 4 | 56 | 0.34 | 0.78 | 12 | empty |
| 5 | 79 | 0.33 | 0.74 | 17 | empty |
Interfaces
1 interface between chains.
- E–I · 1113 Ų buried · 27 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (phosphorylation).
Compared structures
- 1FMO · Crystal structure of a polyhistidine-tagged recombinant catalytic subunit of… · the same entry in another collection · chain E against E, TM-score 1.00
- P05132 · 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 0.99
- P61926 · 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 0.32
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 P61926
- Elsewhere: RCSB PDB 1FMO · PDBe 1FMO · UniProt P05132 · UniProt P61926
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