3L9M
Crystal structure of PKAB3 (pka triple mutant V123A, L173M, Q181K) with compound 18
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | cAMP-dependent protein kinase catalytic subunit alpha | polymer | 351 | 40799.6 | 2 | UniProt (P17612) Pfam (PF00069) In PDB | Homo sapiens (human) | PKA C-alpha |
| 2 | C, D | cAMP-dependent protein kinase inhibitor alpha | polymer | 20 | 2226.4 | 2 | UniProt (P61925) In PDB | Homo sapiens (human) | cAMP-dependent protein kinase inhibitor, muscle/brain isoform, PKI-alpha |
| 3 | A, B | (2S)-N~1~-[5-(3-methyl-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine | non-polymer | 378.5 | 2 | Chemie (L9M) | |||
| 4 | water | water | 18.0 | 779 | Chemie (HOH) |
Sequence modifications
A, B: 0 - 350 (UniProt: P17612)
| PDB | External Database | Details |
|---|---|---|
| Ala 123 | Val 124 | engineered mutation |
| Met 173 | Leu 174 | engineered mutation |
| Lys 181 | Gln 182 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 86052.0 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 757.0 | |
| All* | Total formula weight | 86809.0 |
