3KL6
Discovery of Tetrahydropyrimidin-2(1H)-one derivative TAK-442: A potent, selective and orally active factor Xa inhibitor
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | Coagulation Factor X heavy chain | polymer | 241 | 27201.1 | 1 | UniProt (P00742) Pfam (PF00089) In PDB | Homo sapiens (human) | Stuart-Prower factor heavy chain |
| 2 | B | Coagulation Factor X light chain | polymer | 57 | 6188.9 | 1 | UniProt (P00742) Pfam (PF14670) In PDB | Homo sapiens (human) | Stuart-Prower factor light chain |
| 3 | A | 1-(1-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}piperidin-4-yl)tetrahydropyrimidin-2(1H)-one | non-polymer | 480.0 | 1 | Chemie (443) | |||
| 4 | A, B | 1,2-ETHANEDIOL | non-polymer | 62.1 | 4 | Chemie (EDO) | |||
| 5 | A | CALCIUM ION | non-polymer | 40.1 | 3 | Chemie (CA) | |||
| 6 | water | water | 18.0 | 204 | Chemie (HOH) |
Sequence modifications
B: -2 - 51 (UniProt: P00742)
| PDB | External Database | Details |
|---|---|---|
| Gly -5 | - | expression tag |
| Arg -4 | - | expression tag |
| Ala -3 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 33390.0 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 848.5 | |
| All* | Total formula weight | 34238.5 |
