5OQ5
Structure of CHK1 8-pt. mutant complex with aminopyrimido-benzodiazepinone LRRK2 inhibitor
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A | Serine/threonine-protein kinase Chk1 | polymer | 297 | 34048.2 | 1 | UniProt (O14757) Pfam (PF00069) In PDB | Homo sapiens (Human) | CHK1 checkpoint homolog,Cell cycle checkpoint kinase,Checkpoint kinase-1 |
2 | A | 2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one | non-polymer | 570.7 | 1 | Chemie (4K4) | |||
3 | A | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID | non-polymer | 195.2 | 1 | Chemie (MES) | |||
4 | water | water | 18.0 | 287 | Chemie (HOH) |
Sequence modifications
A: 1 - 289 (UniProt: O14757)
PDB | External Database | Details |
---|---|---|
Leu 59 | Asn 59 | engineered mutation |
Ile 68 | Val 68 | engineered mutation |
Met 84 | Leu 84 | engineered mutation |
Leu 86 | Tyr 86 | engineered mutation |
Ala 87 | Cys 87 | engineered mutation |
Ser 91 | Glu 91 | engineered mutation |
His 134 | Glu 134 | engineered mutation |
Ala 147 | Ser 147 | engineered mutation |
His 290 | - | expression tag |
His 291 | - | expression tag |
His 292 | - | expression tag |
His 293 | - | expression tag |
His 294 | - | expression tag |
His 295 | - | expression tag |
His 296 | - | expression tag |
His 297 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 1 |
Total formula weight | 34048.2 | |
Non-Polymers* | Number of molecules | 2 |
Total formula weight | 765.9 | |
All* | Total formula weight | 34814.1 |