4BDG
Fragment-based screening identifies a new area for inhibitor binding to checkpoint kinase 2 (CHK2)
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 CHK2 | polymer | 329 | 37111.8 | 1 | UniProt (O96017) Pfam (PF00069) In PDB | HOMO SAPIENS (HUMAN) | CHK2 CHECKPOINT HOMOLOG, CDS1 HOMOLOG, HUCDS1, HCDS1, CHECKPOINT KINASE 2 |
2 | A | 3-(PYRIDIN-3-YL)-1H-PYRAZOL-5-AMINE | non-polymer | 160.2 | 1 | Chemie (P3J) | |||
3 | A | NITRATE ION | non-polymer | 62.0 | 1 | Chemie (NO3) | |||
4 | A | 1,2-ETHANEDIOL | non-polymer | 62.1 | 1 | Chemie (EDO) | |||
5 | A | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
6 | water | water | 18.0 | 34 | Chemie (HOH) |
Sequence modifications
A: 210 - 531 (UniProt: O96017)
PDB | External Database | Details |
---|---|---|
Gly 203 | - | expression tag |
Pro 204 | - | expression tag |
Leu 205 | - | expression tag |
Gly 206 | - | expression tag |
Ser 207 | - | expression tag |
His 208 | - | expression tag |
Met 209 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 1 |
Total formula weight | 37111.8 | |
Non-Polymers* | Number of molecules | 4 |
Total formula weight | 319.7 | |
All* | Total formula weight | 37431.5 |