5W4W
Identification and Profiling of a Selective and Brain Penetrant Radioligand for In Vivo Target Occupancy Measurement of Casein Kinase 1 (CK1) Inhibitors
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B, C, D | Casein kinase I isoform delta | polymer | 331 | 38537.2 | 4 | UniProt (P48730) Pfam (PF00069) In PDB | Homo sapiens (Human) | CKId,Tau-protein kinase CSNK1D |
2 | A, B, C, D | 4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-6-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one | non-polymer | 322.3 | 4 | Chemie (9WG) | |||
3 | A, B, C, D | SULFATE ION | non-polymer | 96.1 | 15 | Chemie (SO4) | |||
4 | water | water | 18.0 | 519 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 3 - 317 (UniProt: P48730)
PDB | External Database | Details |
---|---|---|
Met -13 | - | expression tag |
His -12 | - | expression tag |
His -11 | - | expression tag |
His -10 | - | expression tag |
His -9 | - | expression tag |
His -8 | - | expression tag |
His -7 | - | expression tag |
Ser -6 | - | expression tag |
Ser -5 | - | expression tag |
Gly -4 | - | expression tag |
Leu -3 | - | expression tag |
Val -2 | - | expression tag |
Pro -1 | - | expression tag |
Arg 0 | - | expression tag |
Gly 1 | - | expression tag |
Ser 2 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 4 |
Total formula weight | 154148.9 | |
Non-Polymers* | Number of molecules | 19 |
Total formula weight | 2730.3 | |
All* | Total formula weight | 156879.2 |