3VC4
Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design
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 pim-1 | polymer | 299 | 34481.1 | 1 | UniProt (P11309) Pfam (PF00069) In PDB | Homo sapiens (human) | |
2 | A | IMIDAZOLE | non-polymer | 69.1 | 2 | Chemie (IMD) | |||
3 | A | (5Z)-5-[3-(trifluoromethyl)benzylidene]-1,3-thiazolidine-2,4-dione | non-polymer | 273.2 | 1 | Chemie (0FS) | |||
4 | water | water | 18.0 | 153 | Chemie (HOH) |
Sequence modifications
A: 29 - 313 (UniProt: P11309)
PDB | External Database | Details |
---|---|---|
Met 28 | - | initiating methionine |
Ala 314 | - | expression tag |
Ala 315 | - | expression tag |
Ala 316 | - | expression tag |
Leu 317 | - | expression tag |
Glu 318 | - | expression tag |
His 319 | - | expression tag |
His 320 | - | expression tag |
His 321 | - | expression tag |
His 322 | - | expression tag |
His 323 | - | expression tag |
His 324 | - | expression tag |
His 325 | - | expression tag |
His 326 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 1 |
Total formula weight | 34481.1 | |
Non-Polymers* | Number of molecules | 3 |
Total formula weight | 411.4 | |
All* | Total formula weight | 34892.5 |