9C76
LRRK2 Roc domain RP (Ras-pocket) complexed to Divarasib
This is a non-PDB format compatible entry.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Leucine-rich repeat serine/threonine-protein kinase 2 | polymer | 189 | 21453.8 | 2 | UniProt (Q5S007) Pfam (PF08477) | Homo sapiens (human) | Dardarin |
| 2 | C, J (A, B) | GUANOSINE-5'-DIPHOSPHATE | non-polymer | 443.2 | 2 | Chemie (GDP) | |||
| 3 | D, E, F (A) | BROMIDE ION | non-polymer | 79.9 | 3 | Chemie (BR) | |||
| 4 | G, L (A, B) | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
| 5 | H (A) | FLUORIDE ION | non-polymer | 19.0 | 1 | Chemie (F) | |||
| 6 | I, M (A, B) | 1-{(3S)-4-[(7M)-7-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-8-fluoro-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}quinazolin-4-yl]-3-methylpiperazin-1-yl}propan-1-one | non-polymer | 624.1 | 2 | Chemie (A1AWR) | |||
| 7 | K (B) | IODIDE ION | non-polymer | 126.9 | 1 | Chemie (IOD) | |||
| 8 | N, O (A, B) | water | water | 18.0 | 96 | Chemie (HOH) |
Sequence modifications
A, B: 2 - 189 (UniProt: Q5S007)
| PDB | External Database | Details |
|---|---|---|
| Ser 1 | - | expression tag |
| Ala 15 | Asn 1342 | engineered mutation |
| Cys 16 | Thr 1343 | engineered mutation |
| His 106 | Pro 1433 | engineered mutation |
| Tyr 107 | Trp 1434 | engineered mutation |
| Gln 110 | Asn 1437 | engineered mutation |
| Ala 133 | Lys 1460 | engineered mutation |
| Ala 136 | Lys 1463 | engineered mutation |
| Ala 138 | Cys 1465 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 42907.6 | |
| Non-Polymers* | Number of molecules | 11 |
| Total formula weight | 2568.8 | |
| All* | Total formula weight | 45476.4 |
