2GQG
X-ray Crystal Structure of Dasatinib (BMS-354825) Bound to Activated ABL Kinase Domain
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | Proto-oncogene tyrosine-protein kinase ABL1 | polymer | 278 | 32217.7 | 2 | UniProt (P00519) Pfam (PF07714) In PDB | Homo sapiens (human) | p150, c- ABL, Abelson murine leukemia viral oncogene homolog 1 |
| 2 | A, B | 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 | 2 | Chemie (1N1) | P150, C-ABL | ||
| 3 | B | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 4 | water | water | 18.0 | 310 | Chemie (HOH) |
Sequence modifications
A, B: 229 - 500 (UniProt: P00519)
| PDB | External Database | Details |
|---|---|---|
| Gly 223 | - | CLONING ARTIFACT |
| Ala 224 | - | CLONING ARTIFACT |
| Met 225 | - | CLONING ARTIFACT |
| Asp 226 | - | CLONING ARTIFACT |
| Pro 227 | - | CLONING ARTIFACT |
| Ser 228 | - | CLONING ARTIFACT |
| Ptr 393 | Tyr 393 | MODIFIED RESIDUE |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 64435.5 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 1068.1 | |
| All* | Total formula weight | 65503.6 |
