MolNFT v1 · #63698 · protein
Crystal structure of a complex between the catalytic and regulatory (RI{ALPHA}) subunits of PKA
3FHI · Camp-dependent protein kinase catalytic subunit alpha: “Crystal structure of a complex between the catalytic and regulatory (RI{ALPHA}) subunits of PKA”. X-ray diffraction, 2 ligands (ANP, MN), 7 pockets (best druggability 0.78).…
- PDB
- 3FHI
- Type
- protein
- Length
- 488 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 type…
- EC
- 2.7.11.11
- UniProt
- P05132, P00514
- Ligands
- ANP, MN
- Pockets
- 7 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Camp-dependent protein kinase catalytic subunit alpha (EC 2.7.11.11) | protein | 338 | 38% helix, 16% strand | P05132 |
| B | Camp-dependent protein kinase type I-alpha regulatory subunit | protein | 150 | 28% helix, 29% strand | P00514 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · chains A, B
- MN · Manganese (II) ion · metal · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 150 | 0.78 | 0.95 | 33 | ANP, MN |
| 2 | 337 | 0.58 | 0.76 | 44 | empty |
| 3 | 90 | 0.47 | 0.80 | 12 | empty |
| 4 | 93 | 0.35 | 0.75 | 21 | empty |
| 5 | 64 | 0.29 | 0.74 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 1547 Ų buried · 32 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (phosphorylation).
Compared structures
- 3FHI · Crystal structure of a complex between the catalytic and regulatory (RI{alpha}) subunits… · the same entry in another collection · chain A against A, TM-score 1.00
- P00514 · AlphaFold monomer V2.0 prediction for camp-dependent protein kinase type I-alpha… · a predicted model of the same protein · chain B against A, TM-score 0.97
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 P00514
- Elsewhere: RCSB PDB 3FHI · PDBe 3FHI · UniProt P05132 · UniProt P00514
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