4Q1B
Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 7 {N-(2-(3-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)phenoxy)ethyl)methanesulfonamide}
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B | Deoxycytidine kinase | polymer | 280 | 32701.6 | 2 | UniProt (P27707) Pfam (PF01712) In PDB | Homo sapiens (human) | dCK |
2 | A, B | N-(2-(3-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)phenoxy)ethyl)methanesulfonamide | non-polymer | 494.7 | 2 | Chemie (2Y0) | |||
3 | A, B | URIDINE-5'-DIPHOSPHATE | non-polymer | 404.2 | 2 | Chemie (UDP) | |||
4 | water | water | 18.0 | 92 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 260 (UniProt: P27707)
PDB | External Database | Details |
---|---|---|
Met -19 | - | expression tag |
Gly -18 | - | expression tag |
Ser -17 | - | expression tag |
Ser -16 | - | expression tag |
His -15 | - | expression tag |
His -14 | - | expression tag |
His -13 | - | expression tag |
His -12 | - | expression tag |
His -11 | - | expression tag |
His -10 | - | expression tag |
Ser -9 | - | expression tag |
Ser -8 | - | expression tag |
Gly -7 | - | expression tag |
Leu -6 | - | expression tag |
Val -5 | - | expression tag |
Pro -4 | - | expression tag |
Arg -3 | - | expression tag |
Gly -2 | - | expression tag |
Ser -1 | - | expression tag |
His 0 | - | expression tag |
Ser 9 | Cys 9 | engineered mutation |
Ser 45 | Cys 45 | engineered mutation |
Ser 59 | Cys 59 | engineered mutation |
Glu 74 | Ser 74 | engineered mutation |
Ser 146 | Cys 146 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 65403.3 | |
Non-Polymers* | Number of molecules | 4 |
Total formula weight | 1797.6 | |
All* | Total formula weight | 67200.9 |