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 | Coagulation factor XI | polymer | 244 | 27600.3 | 1 | UniProt (P03951) Pfam (PF00089) In PDB | Homo sapiens (Human) | FXI,Plasma thromboplastin antecedent,PTA |
2 | 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) In PDB | Homo sapiens | |
3 | 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 | A | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
5 | A | 1,2-ETHANEDIOL | non-polymer | 62.1 | 12 | Chemie (EDO) | |||
6 | 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 |