6X5P
Discovery of Hydroxy Pyrimidine Factor IXa Inhibitors
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Coagulation factor IX | polymer | 235 | 26104.7 | 1 | UniProt (P00740) Pfam (PF00089) | Homo sapiens (Human) | Christmas factor,Plasma thromboplastin component,PTC |
| 2 | B (B) | Coagulation factor IX | polymer | 62 | 6841.8 | 1 | UniProt (P00740) Pfam (PF14670) | Homo sapiens (Human) | Christmas factor,Plasma thromboplastin component,PTC |
| 3 | C (A) | 3-chloro-4-{[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzene-1-carboximidamide | non-polymer | 353.8 | 1 | Chemie (UQD) | |||
| 4 | D, E, F, G (A) | CITRIC ACID | non-polymer | 192.1 | 4 | Chemie (CIT) | |||
| 5 | H, I (A) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
| 6 | J, K (A, B) | water | water | 18.0 | 177 | Chemie (HOH) |
Sequence modifications
A: 16 - 250 (UniProt: P00740)
B: 85 - 145 (UniProt: P00740)
| PDB | External Database | Details |
|---|---|---|
| Ala 153 | Arg 364 | engineered mutation |
| PDB | External Database | Details |
|---|---|---|
| Met 84 | - | initiating methionine |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 32946.5 | |
| Non-Polymers* | Number of molecules | 7 |
| Total formula weight | 1306.5 | |
| All* | Total formula weight | 34253.0 |
