3ZH8
A novel small molecule aPKC inhibitor
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C (A, B, C) | PROTEIN KINASE C IOTA TYPE | polymer | 349 | 40317.3 | 3 | UniProt (P41743) Pfam (PF00069) Pfam (PF00433) | HOMO SAPIENS (HUMAN) | PKC IOTA, ATYPICAL PROTEIN KINASE C-LAMBDA/IOTA, PRKC-LAMBDA/IOTA, APKC-LAMBDA/IOTA, NPKC-IOTA |
| 2 | D, E, F, G, M... (A, B, C) | IODIDE ION | non-polymer | 126.9 | 12 | Chemie (IOD) | |||
| 3 | AA, H, Q (C, A, B) | CHLORIDE ION | non-polymer | 35.5 | 3 | Chemie (CL) | |||
| 4 | BA, I, R (C, A, B) | (2S)-3-phenyl-N~1~-[2-(pyridin-4-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]propane-1,2-diamine | non-polymer | 415.6 | 3 | Chemie (C58) | |||
| 5 | CA, DA, EA, J, K... (C, A, B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 10 | Chemie (EDO) | |||
| 6 | FA, GA, HA (A, B, C) | water | water | 18.0 | 73 | Chemie (HOH) |
Sequence modifications
A, B, C: 239 - 587 (UniProt: P41743)
| PDB | External Database | Details |
|---|---|---|
| Ser 586 | Cys 595 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 120952.0 | |
| Non-Polymers* | Number of molecules | 28 |
| Total formula weight | 3496.5 | |
| All* | Total formula weight | 124448.5 |
