4CR9
Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design
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) | FXI, PLASMA THROMBOPLASTIN ANTECEDENT, PTA, COAGULATION FACTOR XIA LIGHT CHAIN |
2 | A | 4-methylquinoline-2,6-diamine | non-polymer | 173.2 | 1 | Chemie (OTW) | |||
3 | A | SULFATE ION | non-polymer | 96.1 | 6 | Chemie (SO4) | |||
4 | water | water | 18.0 | 298 | 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 | conflict |
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 | 7 |
Total formula weight | 749.6 | |
All* | Total formula weight | 27502.0 |