3UMX
Crystal structure of Pim1 kinase in complex with inhibitor (Z)-2-[(1H-indol-3-yl)methylene]-7-(azepan-1-ylmethyl)-6-hydroxybenzofuran-3(2H)-one
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Proto-oncogene serine/threonine-protein kinase pim-1 | polymer | 298 | 34187.7 | 1 | UniProt (P11309) Pfam (PF00069) | Homo sapiens | |
| 2 | B (A) | (2Z)-7-(azepan-1-ylmethyl)-6-hydroxy-2-(1H-indol-3-ylmethylidene)-1-benzofuran-3(2H)-one | non-polymer | 388.5 | 1 | Chemie (Q18) | |||
| 3 | C (A) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 4 | D (A) | water | water | 18.0 | 112 | Chemie (HOH) |
Sequence modifications
A: 29 - 313 (UniProt: P11309)
| PDB | External Database | Details |
|---|---|---|
| Met 28 | - | expression tag |
| Ser 314 | - | expression tag |
| Gly 315 | - | expression tag |
| Pro 316 | - | expression tag |
| Ser 317 | - | expression tag |
| Ser 318 | - | expression tag |
| Gly 319 | - | expression tag |
| Glu 320 | - | expression tag |
| Asn 321 | - | expression tag |
| Leu 322 | - | expression tag |
| Tyr 323 | - | expression tag |
| Phe 324 | - | expression tag |
| Gln 325 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 34187.7 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 484.5 | |
| All* | Total formula weight | 34672.2 |
