2HXL
crystal structure of Chek1 in complex with inhibitor 1
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 | 322 | 36791.0 | 1 | UniProt (O14757) Pfam (PF00069) In PDB | Homo sapiens (human) | |
| 2 | A | 3-(5-{[4-(AMINOMETHYL)PIPERIDIN-1-YL]METHYL}-1H-INDOL-2-YL)-1H-INDAZOLE-6-CARBONITRILE | non-polymer | 384.5 | 1 | Chemie (422) | |||
| 3 | water | water | 18.0 | 115 | Chemie (HOH) |
Sequence modifications
A: 2 - 307 (UniProt: O14757)
| PDB | External Database | Details |
|---|---|---|
| Arg 308 | - | cloning artifact |
| Thr 309 | - | cloning artifact |
| Pro 310 | - | cloning artifact |
| Gly 311 | - | cloning artifact |
| Ser 312 | - | cloning artifact |
| Gly 313 | - | cloning artifact |
| Trp 314 | - | cloning artifact |
| Ser 315 | - | cloning artifact |
| Lys 316 | - | cloning artifact |
| Glu 317 | - | cloning artifact |
| His 318 | - | expression tag |
| His 319 | - | expression tag |
| His 320 | - | expression tag |
| His 321 | - | expression tag |
| His 322 | - | expression tag |
| His 323 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 36791.0 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 384.5 | |
| All* | Total formula weight | 37175.4 |
