8SIW
Structure of Compound 5 bound to the CHK1 10-point mutant
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B | Serine/threonine-protein kinase Chk1 | polymer | 297 | 34094.2 | 2 | UniProt (O14757) Pfam (PF00069) In PDB | Homo sapiens (human) | CHK1 checkpoint homolog,Cell cycle checkpoint kinase,Checkpoint kinase-1 |
2 | A, B | (1S,2S)-N-(7-chloro-6-{1-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperidin-4-yl}isoquinolin-3-yl)-2-(1-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide | non-polymer | 510.0 | 2 | Chemie (ZXL) | |||
3 | water | water | 18.0 | 205 | Chemie (HOH) |
Sequence modifications
A, B: 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 |
Tyr 149 | Phe 149 | engineered mutation |
Ser 150 | Gly 150 | 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 | 2 |
Total formula weight | 68188.4 | |
Non-Polymers* | Number of molecules | 2 |
Total formula weight | 1020.1 | |
All* | Total formula weight | 69208.5 |