MolNFT v1 · #85493 · protein
Structure and function of the human sperm-specific isoform of protein kinase a (PKA) catalytic subunit calpha 2
4AE6 · Camp-dependent protein kinase catalytic subunit alpha 2: “Structure and function of the human sperm-specific isoform of protein kinase a (PKA) catalytic subunit calpha…”. X-ray diffraction, 8 pockets (best druggability 0.79). MolNFT…
- PDB
- 4AE6
- Type
- protein
- Length
- 644 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Camp-dependent protein kinase catalytic subunit alpha 2
- EC
- 2.7.11.11
- UniProt
- P17612
- Pockets
- 8 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Camp-dependent protein kinase catalytic subunit alpha 2 (EC 2.7.11.11) | protein | 321 | 39% helix, 16% strand | P17612 |
| B | Camp-dependent protein kinase catalytic subunit alpha 2 (EC 2.7.11.11) | protein | 323 | 36% helix, 17% strand | P17612 |
Ligands and binding sites
- ACT · Acetate ion · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 933 | 0.79 | 0.81 | 83 | empty |
| 2 | 412 | 0.62 | 0.77 | 46 | empty |
| 3 | 89 | 0.47 | 0.80 | 12 | empty |
| 4 | 74 | 0.38 | 0.77 | 11 | empty |
| 5 | 52 | 0.34 | 0.78 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 726 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (phosphorylation).
Compared structures
- 4AE6 · Structure and Function of the Human Sperm-Specific Isoform of Protein Kinase A (PKA)… · 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 0.97
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 P17612
- Elsewhere: RCSB PDB 4AE6 · PDBe 4AE6 · UniProt P17612
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