Crystal structure of the cAMP-dependent protein kinase A in complex with aminofasudil and PKI (5-24). Determined by X-ray diffraction at 1.52 Å resolution. Released 14 Oct 2020.
Explore 6YNT in 3D Show helices and sheets RCSB PDB PDBe
6YNT contains 21 α-helices and 15 β-strands across 2 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.
| Element | Residues | Length | Sheet |
|---|---|---|---|
| α-helix | 10-31 | 22 | |
| α-helix | 40-42 | 3 | |
| β-strand | 43-52 | 10 | 1 |
| β-strand | 55-62 | 8 | 1 |
| β-strand | 68-75 | 8 | 1 |
| α-helix | 76-81 | 6 | |
| α-helix | 85-97 | 13 | |
| β-strand | 103 | 1 | 2 |
| α-helix | 104-105 | 2 | |
| β-strand | 106-111 | 6 | 1 |
| β-strand | 115-121 | 7 | 1 |
| β-strand | 127 | 1 | 2 |
| α-helix | 128-135 | 8 | |
| α-helix | 140-159 | 20 | |
| β-strand | 162-163 | 2 | 3 |
| α-helix | 169-171 | 3 | |
| β-strand | 172-174 | 3 | 2 |
| β-strand | 180-182 | 3 | 2 |
| β-strand | 189-190 | 2 | 3 |
| β-strand | 195 | 1 | 4 |
| β-strand | 200 | 1 | 5 |
| α-helix | 202-204 | 3 | |
| α-helix | 207-210 | 4 | |
| β-strand | 215 | 1 | 4 |
| α-helix | 218-233 | 16 | |
| α-helix | 243-251 | 9 | |
| α-helix | 263-272 | 10 | |
| α-helix | 277-279 | 3 | |
| α-helix | 289-292 | 4 | |
| α-helix | 295-297 | 3 | |
| α-helix | 302-306 | 5 | |
| α-helix | 311-312 | 2 | |
| α-helix | 315-317 | 3 |
| Element | Residues | Length | Sheet |
|---|---|---|---|
| α-helix | 6-11 | 6 | |
| α-helix | 18-21 | 4 | |
| β-strand | 22 | 1 | 5 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| cAMP-dependent protein kinase catalytic subunit alpha | A | protein | 353 | Cricetulus griseus | P25321 (AlphaFold model) |
| cAMP-dependent protein kinase inhibitor alpha | B | protein | 20 | Mus musculus | P63248 (AlphaFold model) |
>6YNT_1 cAMP-dependent protein kinase catalytic subunit alpha (chains A) GHMGNAAAAKKGSEQESVKEFLAKAKEEFLKKWESPSQNTAQLDHFDRIKTLGTGSFGRV MLVKHKETGNHYAMKILDKQKVVKLKQIEHTLNEKRILQAVNFPFLVKLEFSFKDNSNLY MVMEYVPGGEMFSHLRRIGRFSEPHARFYAAQIVLTFEYLHSLDLIYRDLKPENLLIDQQ GYIQVTDFGFAKRVKGRTWTLCGTPEYLAPEIILSKGYNKAVDWWALGVLIYEMAAGYPP FFADQPIQIYEKIVSGKVRFPSHFSSDLKDLLRNLLQVDLTKRFGNLKNGVNDIKNHKWF ATTDWIAIYQRKVEAPFIPKFKGPGDTSNFDDYEEEEIRVSINEKCGKEFTEF
>6YNT_2 cAMP-dependent protein kinase inhibitor alpha (chains B) TTYADFIASGRTGRRNAIHD
| ID | Name | Formula | Copies |
|---|---|---|---|
| MRD | (4R)-2-methylpentane-2,4-diol | C6 H14 O2 | 1 |
| LRT | 5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-1-amine | C14 H18 N4 O2 S | 1 |
Water and common crystallization additives (DMS, MPD) are not listed.
Two Methods, One Goal: Structural Differences between Cocrystallization and Crystal Soaking to Discover Ligand Binding Poses. Wienen-Schmidt, B., Oebbeke, M., Ngo, K. et al. ChemMedChem (2021) 16:292-300. DOI 10.1002/cmdc.202000565 · PubMed
Other PDB entries of the same protein (UniProt P25321 (AlphaFold model), which also has an AlphaFold model), best resolution first:
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