4JLN
Human dCK C4S-S74E mutant in complex with UDP and the F2.4.1 inhibitor (2-[({2-[3-(2-FLUOROETHOXY)-4-METHOXYPHENYL]-5-PROPYL-1,3-THIAZOL-4-YL}METHYL)SULFANYL]PYRIMIDINE-4,6-DIAMINE)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Deoxycytidine kinase | polymer | 280 | 32701.6 | 2 | UniProt (P27707) Pfam (PF01712) | Homo sapiens (human) | dCK |
| 2 | C, E (A, B) | 2-[({2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-1,3-thiazol-4-yl}methyl)sulfanyl]pyrimidine-4,6-diamine | non-polymer | 449.6 | 2 | Chemie (18V) PubChem (60202621) | |||
| 3 | D, F (A, B) | URIDINE-5'-DIPHOSPHATE | non-polymer | 404.2 | 2 | Chemie (UDP) PubChem (1158) PubChem (6031) PubChem (25323044) PubChem (25323048) PubChem (44298965) PubChem (53486216) PubChem (3084486) PubChem (60098857) PubChem (57448939) PubChem (6101632) PubChem (6604175) PubChem (91746160) PubChem (92332560) PubChem (92332561) PubChem (92332562) PubChem (92332563) PubChem (11811538) PubChem (93088131) PubChem (93630083) PubChem (12049241) | |||
| 4 | G, H (A, B) | water | water | 18.0 | 110 | 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 | 1707.5 | |
| All* | Total formula weight | 67110.7 |
