5EXM
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl ~{N}-[4-[2-[(1~{S})-1-[[4-(aminomethyl)cyclohexyl]carbonylamino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate
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 XIa light chain | polymer | 244 | 27600.3 | 1 | UniProt (P03951) Pfam (PF00089) In PDB | Homo sapiens (Human) | FXI,Plasma thromboplastin antecedent,PTA |
2 | A | methyl ~{N}-[4-[2-[(1~{S})-1-[[4-(aminomethyl)cyclohexyl]carbonylamino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate | non-polymer | 486.6 | 1 | Chemie (5ST) | |||
3 | A | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
4 | A | 1,2-ETHANEDIOL | non-polymer | 62.1 | 5 | Chemie (EDO) | |||
5 | water | water | 18.0 | 206 | Chemie (HOH) |
Sequence modifications
A: 16 - 245 (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 |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 1 |
Total formula weight | 27600.3 | |
Non-Polymers* | Number of molecules | 8 |
Total formula weight | 989.1 | |
All* | Total formula weight | 28589.4 |