3R21
Design, synthesis, and biological evaluation of pyrazolopyridine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (Part I)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | Serine/threonine-protein kinase 6 | polymer | 271 | 31346.9 | 1 | UniProt (O14965) Pfam (PF00069) In PDB | Homo sapiens (human) | Aurora kinase A, Aurora/IPL1-related kinase 1, ARK-1, Aurora-related kinase 1, hARK1, Breast tumor-amplified kinase, Serine/threonine-protein kinase 15, Serine/threonine-protein kinase aurora-A |
| 2 | A | N-(2-aminoethyl)-N-{5-[(1-cycloheptyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]pyridin-2-yl}methanesulfonamide | non-polymer | 444.6 | 1 | Chemie (D36) | |||
| 3 | A | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) |
Sequence modifications
A: 126 - 391 (UniProt: O14965)
| PDB | External Database | Details |
|---|---|---|
| Gly 121 | - | expression tag |
| Pro 122 | - | expression tag |
| Leu 123 | - | expression tag |
| Gly 124 | - | expression tag |
| Ser 125 | - | expression tag |
| Asp 287 | Thr 287 | engineered mutation |
| Asp 288 | Thr 288 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 31346.9 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 468.9 | |
| All* | Total formula weight | 31815.8 |
