4YZU
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 (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) | N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-4-(4H-1,2,4-triazol-4-yl)benzamide | non-polymer | 360.4 | 1 | Chemie (4K6) | |||
| 4 | D (A) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 5 | E (A) | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID | non-polymer | 207.3 | 1 | Chemie (NHE) | |||
| 6 | F (B) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 7 | G, H (A, B) | water | water | 18.0 | 335 | 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 | 626.1 | |
| All* | Total formula weight | 33572.7 |
