4Y8Z
Factor XIa in complex with the inhibitor (2E)-N-[(1S)-1-[5-chloro-4-(4-hydroxy-2-oxo-1,2-dihydroquinolin-6-yl)-1H-imidazol-2-yl]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enamide
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 XIa | polymer | 244 | 27600.3 | 1 | UniProt (P03951) Pfam (PF00089) | Homo sapiens (Human) | FXI, Plasma thromboplastin antecedent, PTA |
| 2 | B (A) | (2E)-N-[(1S)-1-[5-chloro-4-(4-hydroxy-2-oxo-1,2-dihydroquinolin-6-yl)-1H-imidazol-2-yl]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enamide | non-polymer | 663.5 | 1 | Chemie (4CE) | |||
| 3 | C (A) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 4 | D, E, F, G, H (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 5 | Chemie (EDO) | |||
| 5 | I (A) | water | water | 18.0 | 66 | Chemie (HOH) |
Sequence modifications
A: 16 - 245 (UniProt: P03951)
| PDB | External Database | Details |
|---|---|---|
| Gly 113 | Asn 491 | engineered mutation |
| Gly 115 | Thr 493 | engineered mutation |
| His 246 | - | expression tag |
| His 247 | - | expression tag |
| His 248 | - | expression tag |
| His 249 | - | expression tag |
| His 250 | - | expression tag |
| His 251 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 27600.3 | |
| Non-Polymers* | Number of molecules | 7 |
| Total formula weight | 1069.9 | |
| All* | Total formula weight | 28670.3 |
