5BVW
Fragment-based discovery of potent and selective DDR1/2 inhibitors
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Epithelial discoidin domain-containing receptor 1 | polymer | 324 | 36435.8 | 1 | UniProt (Q08345) Pfam (PF07714) | Homo sapiens (Human) | Epithelial discoidin domain receptor 1,CD167 antigen-like family member A,Cell adhesion kinase,Discoidin receptor tyrosine kinase,HGK2,Mammary carcinoma kinase 10,MCK-10,Protein-tyrosine kinase 3A,Protein-tyrosine kinase RTK-6,TRK E,Tyrosine kinase DDR,Tyrosine-protein kinase CAK |
| 2 | B, C, D, E, F... (A) | IODIDE ION | non-polymer | 126.9 | 8 | Chemie (IOD) | |||
| 3 | J (A) | N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE | non-polymer | 488.0 | 1 | Chemie (1N1) | |||
| 4 | K (A) | water | water | 18.0 | 287 | Chemie (HOH) |
Sequence modifications
A: 595 - 913 (UniProt: Q08345)
| PDB | External Database | Details |
|---|---|---|
| Gly 590 | - | expression tag |
| Ala 591 | - | expression tag |
| Met 592 | - | expression tag |
| Gly 593 | - | expression tag |
| Ser 594 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 36435.8 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 1503.2 | |
| All* | Total formula weight | 37939.0 |
