3F9N
Crystal structure of chk1 kinase in complex with inhibitor 38
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 | |
2 | A | 3-(3-chlorophenyl)-2-({(1S)-1-[(6S)-2,8-diazaspiro[5.5]undec-2-ylcarbonyl]pentyl}sulfanyl)quinazolin-4(3H)-one | non-polymer | 539.1 | 1 | Chemie (38M) | |||
3 | A | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
4 | water | water | 18.0 | 257 | Chemie (HOH) |
Sequence modifications
A: 2 - 307 (UniProt: O14757)
PDB | External Database | Details |
---|---|---|
Arg 308 | - | expression tag |
Thr 309 | - | expression tag |
Pro 310 | - | expression tag |
Gly 311 | - | expression tag |
Ser 312 | - | expression tag |
Gly 313 | - | expression tag |
Trp 314 | - | expression tag |
Ser 315 | - | expression tag |
Lys 316 | - | expression tag |
Glu 317 | - | expression tag |
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 | 3 |
Total formula weight | 731.3 | |
All* | Total formula weight | 37522.2 |