4TY6
Factor XIa in complex with the inhibitor 4-{2-[(1S)-1-({[trans-4-(aminomethyl)cyclohexyl]carbonyl}amino)-2-phenylethyl]-1H-imidazol-4-yl}benzamide
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 | CYS-THR-THR-LYS-ILE-LYS-PRO | polymer | 18 | 2159.4 | 1 | UniProt (P03951) In PDB | Homo sapiens (Human) | FXI,Plasma thromboplastin antecedent,PTA |
3 | A | 4-{2-[(1S)-1-({[trans-4-(aminomethyl)cyclohexyl]carbonyl}amino)-2-phenylethyl]-1H-imidazol-4-yl}benzamide | non-polymer | 445.6 | 1 | Chemie (39D) | |||
4 | A | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
5 | A | 1,2-ETHANEDIOL | non-polymer | 62.1 | 8 | Chemie (EDO) | |||
6 | water | water | 18.0 | 242 | Chemie (HOH) |
Sequence modifications
A: 16 - 245 (UniProt: P03951)
H: 357 - 369 (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 |
PDB | External Database | Details |
---|---|---|
Met 352 | - | initiating methionine |
Asp 353 | - | expression tag |
Asp 354 | - | expression tag |
Asp 355 | - | expression tag |
Asp 356 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 29759.8 | |
Non-Polymers* | Number of molecules | 10 |
Total formula weight | 1038.2 | |
All* | Total formula weight | 30797.9 |