5BVK
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 | 6 | Chemie (IOD) | |||
| 3 | H (A) | 1-(2-chlorophenyl)-3-(pyridin-3-ylmethyl)urea | non-polymer | 261.7 | 1 | Chemie (4VC) | |||
| 4 | I (A) | water | water | 18.0 | 113 | 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 | 7 |
| Total formula weight | 1023.1 | |
| All* | Total formula weight | 37458.9 |
