7MBO
FACTOR XIA (PICHIA PASTORIS; C500S [C122S]) IN COMPLEX WITH THE INHIBITOR Milvexian (BMS-986177), IUPAC NAME:(6R,10S)-10-{4-[5-chloro-2-(4-chloro-1H-1,2,3-triazol-1-yl)phenyl]-6- oxopyrimidin-1(6H)-yl}-1-(difluoromethyl)-6-methyl-1,4,7,8,9,10-hexahydro-15,11- (metheno)pyrazolo[4,3-b][1,7]diazacyclotetradecin-5(6H)-one
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Coagulation factor XIa light chain | polymer | 238 | 26856.5 | 1 | UniProt (P03951) Pfam (PF00089) | Homo sapiens (Human) | FXI,Plasma thromboplastin antecedent,PTA |
| 2 | B (A) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 1 | Chemie (NAG) | |||
| 3 | C (A) | Milvexian | non-polymer | 626.4 | 1 | Chemie (YXG) | |||
| 4 | D (A) | water | water | 18.0 | 290 | Chemie (HOH) |
Sequence modifications
A: 16 - 245 (UniProt: P03951)
| PDB | External Database | Details |
|---|---|---|
| Ser 122 | Cys 500 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 26856.5 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 847.7 | |
| All* | Total formula weight | 27704.1 |
