4Z0K
Rapid development of two Factor IXa inhibitors from Hit to Lead
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 IX | polymer | 235 | 26104.7 | 1 | UniProt (P00740) Pfam (PF00089) In PDB | Homo sapiens (Human) | Christmas factor,Plasma thromboplastin component,PTC |
| 2 | B | Coagulation factor IX | polymer | 62 | 6841.8 | 1 | UniProt (P00740) Pfam (PF14670) In PDB | Homo sapiens (Human) | Christmas factor,Plasma thromboplastin component,PTC |
| 3 | A | N-[(2R)-10-hydroxy-2,7-dimethyl-1,2,3,4-tetrahydropyrido[1,2-b]indazol-2-yl]-4-(4H-1,2,4-triazol-4-yl)benzamide | non-polymer | 402.4 | 1 | Chemie (4LN) | |||
| 4 | A | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 5 | A | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID | non-polymer | 207.3 | 1 | Chemie (NHE) | |||
| 6 | B | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 7 | water | water | 18.0 | 345 | Chemie (HOH) |
Sequence modifications
A: 16 - 245 (UniProt: P00740)
B: 85 - 145 (UniProt: P00740)
| PDB | External Database | Details |
|---|---|---|
| Ala 150 | 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 | 4 |
| Total formula weight | 668.2 | |
| All* | Total formula weight | 33614.7 |
