8U8X
crystal structure of the receptor tyrosine kinase Human HER2 (ERBB2) YVMA mutant kinase domain in complex with inhibitor compound 27
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Receptor tyrosine-protein kinase erbB-2 | polymer | 348 | 39523.6 | 1 | UniProt (P04626) Pfam (PF07714) | Homo sapiens (human) | |
| 2 | B (A) | 1-{(1R,3r,5S)-3-[(3M)-4-methyl-3-{3-methyl-4-[(1-methyl-1H-benzimidazol-5-yl)oxy]phenyl}-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl}propan-1-one | non-polymer | 535.6 | 1 | Chemie (W9N) | |||
| 3 | C (A) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) | |||
| 4 | D (A) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 5 | E (A) | water | water | 18.0 | 261 | Chemie (HOH) |
Sequence modifications
A: 694 - 1033 (UniProt: P04626)
| PDB | External Database | Details |
|---|---|---|
| Met 692 | - | initiating methionine |
| Gly 693 | - | cloning artifact |
| Tyr 776 | - | insertion |
| Val 777 | - | insertion |
| Met 778 | - | insertion |
| Ala 779 | - | insertion |
| His 1034 | - | expression tag |
| His 1035 | - | expression tag |
| His 1036 | - | expression tag |
| His 1037 | - | expression tag |
| His 1038 | - | expression tag |
| His 1039 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 39523.6 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 677.2 | |
| All* | Total formula weight | 40200.8 |
