5QQO
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(5E,8S)-8-[(6R)-6-(3-chlorophenyl)-2-oxo-1,3-oxazinan-3-yl]-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate
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 | polymer | 244 | 27600.3 | 1 | UniProt (P03951) Pfam (PF00089) | Homo sapiens (Human) | FXI,Plasma thromboplastin antecedent,PTA |
| 2 | B (H) | MET-ASP-ASP-ASP-ASP-LYS-MET-ASP-ASN-GLU-CYS-THR-THR-LYS-ILE-LYS-PRO-ARG | polymer | 18 | 2159.4 | 1 | UniProt (by SIFTS) (P03951) | Homo sapiens | |
| 3 | C (A) | methyl [(5E,8S)-8-[(6R)-6-(3-chlorophenyl)-2-oxo-1,3-oxazinan-3-yl]-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate | non-polymer | 550.0 | 1 | Chemie (NRJ) | |||
| 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 | 12 | Chemie (EDO) | |||
| 6 | Q, R (A, H) | water | water | 18.0 | 221 | Chemie (HOH) |
Sequence modifications
A: 16 - 245 (UniProt: P03951)
| PDB | External Database | Details |
|---|---|---|
| Gly 113 | Asn 491 | conflict |
| Gly 115 | Thr 493 | conflict |
| 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 | 14 |
| Total formula weight | 1390.9 | |
| All* | Total formula weight | 31150.6 |
