2FDA
Crystal Structure of the Catalytic Domain of Human Coagulation Factor XIa in Complex with alpha-Ketothiazole Arginine Derived Ligand
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) | |
| 2 | A | BICARBONATE ION | non-polymer | 61.0 | 2 | Chemie (BCT) | |||
| 3 | A | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 4 | A | N~2~-(AMINOCARBONYL)-N~1~-{4-{[AMINO(IMINO)METHYL]AMINO}-1-[HYDROXY(1,3-THIAZOL-2-YL)METHYL]BUTYL}VALINAMIDE | non-polymer | 385.5 | 1 | Chemie (682) | |||
| 5 | water | water | 18.0 | 255 | Chemie (HOH) |
Sequence modifications
A: 16 - 245 (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 | 603.6 | |
| All* | Total formula weight | 27356.0 |
