4X6N
FACTOR XIA IN COMPLEX WITH THE INHIBITOR 1-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1H-tetrazol-1-yl)benzyl]urea
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 XI, light chain | polymer | 244 | 27600.3 | 1 | UniProt (P03951) Pfam (PF00089) | Homo sapiens (Human) | FXI,Plasma thromboplastin antecedent,PTA |
| 2 | B (H) | cleaved peptide | polymer | 18 | 2159.4 | 1 | UniProt (by SIFTS) (P03951) | Homo sapiens (HUMAN) | |
| 3 | C (A) | 1-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1H-tetrazol-1-yl)benzyl]urea | non-polymer | 588.5 | 1 | Chemie (3Y5) | |||
| 4 | D (A) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 5 | E, F, G, H, I... (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 11 | Chemie (EDO) | |||
| 6 | P, Q (A, H) | water | water | 18.0 | 177 | 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 | 2 |
| Total formula weight | 29759.8 | |
| Non-Polymers* | Number of molecules | 13 |
| Total formula weight | 1367.3 | |
| All* | Total formula weight | 31127.0 |
