1ZTJ
Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with 2-(5-Benzylamino-2-methylsulfanyl-6-oxo-6H-pyrimidin-1-yl)-N-[4-guanidino-1-(thiazole-2-carbonyl)-butyl]-acetamide
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 | 238 | 26752.4 | 1 | UniProt (P03951) Pfam (PF00089) In PDB | Homo sapiens (human) | Plasma thromboplastin antecedent, PTA, FXI |
2 | A | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
3 | A | BICARBONATE ION | non-polymer | 61.0 | 1 | Chemie (BCT) | |||
4 | A | 2-(5-BENZYLAMINO-2-METHYLSULFANYL-6-OXO-6H-PYRIMIDIN-1-YL)-N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYL]-ACETAMIDE | non-polymer | 528.6 | 1 | Chemie (632) | |||
5 | water | water | 18.0 | 210 | Chemie (HOH) |
Sequence modifications
A: 16 - 244 (UniProt: P03951)
PDB | External Database | Details |
---|---|---|
Ala 75 | Ser 452 | engineered mutation |
Ala 78 | Lys 455 | engineered mutation |
Ala 115 | Thr 493 | engineered mutation |
Ser 123 | Cys 500 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 1 |
Total formula weight | 26752.4 | |
Non-Polymers* | Number of molecules | 4 |
Total formula weight | 781.8 | |
All* | Total formula weight | 27534.2 |