Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants. Determined by X-ray diffraction at 1.64 Å resolution. Released 17 Sept 2005.
Explore 1XH9 in 3D Show helices and sheets RCSB PDB PDBe
1XH9 contains 20 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 | 15-31 | 17 | |
| 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 | 243-252 | 10 | |
| α-helix | 263-272 | 10 | |
| α-helix | 289-292 | 4 | |
| α-helix | 295-297 | 3 | |
| α-helix | 302-306 | 5 | |
| α-helix | 311-312 | 2 | |
| α-helix | 334-336 | 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, alpha-catalytic subunit | A | protein | 350 | Bos taurus | P00517 (AlphaFold model) |
| cAMP-dependent protein kinase inhibitor, alpha form | B | protein | 20 | synthetic construct | P61925 (AlphaFold model) |
>1XH9_1 cAMP-dependent protein kinase, alpha-catalytic subunit (chains A) GNAAAAKKGSEQESVKEFLAKAKEDFLKKWENPAQNTAHLDQFERIKTLGTGSFGRVMLV KHMETGNHYAMKILDKQKVVKLKEIEHTLNEKRILQAVNFPFLVKLEFSFKDNSNLYMVM EYAPGGEMFSHLRRIGRFSEPHARFYAAQIVLTFEYLHSLDLIYRDLKPENLMIDQQGYI KVTDFGLAKRVKGRTWTLCGTPEYLAPEIILSKGYNKAVDWWALGVLIYEMAAGYPPFFA DQPIQIYEKIVSGKVRFPSHFSSDLKDLLRNLLQVDLTKRFGNLKNGVNDIKNHKWFATT DWIAIYQRKVEAPFIPKFKGPGDTSNFDDYEEEEIRVSINEKCGKEFSEF
>1XH9_2 cAMP-dependent protein kinase inhibitor, alpha form (chains B) TTYADFIASGRTGRRNAIHD
| ID | Name | Formula | Copies |
|---|---|---|---|
| R69 | N-[4-({4-[5-(dimethylamino)-2-hydroxybenzoyl]benzoyl}amino)azepan-3-yl]isonicot… | C28 H31 N5 O4 | 1 |
| BU3 | (r,r)-2,3-butanediol | C4 H10 O2 | 3 |
Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants. Breitenlechner, C.B., Friebe, W.-G., Brunet, E. et al. J Med Chem (2005) 48:163-170. DOI 10.1021/jm049701n · PubMed
Other PDB entries of the same protein (UniProt P00517 (AlphaFold model), which also has an AlphaFold model), best resolution first:
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