5QCL
FACTOR XIA IN COMPLEX WITH THE INHIBITOR 4-[[(1~{S})-2-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]benzoic acid
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 XI | polymer | 244 | 27600.3 | 1 | UniProt (P03951) Pfam (PF00089) | Homo sapiens (Human) | FXI,Plasma thromboplastin antecedent,PTA |
| 2 | B (A) | 4-[[(1~{S})-2-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]benzoic acid | non-polymer | 528.9 | 1 | Chemie (BUY) | |||
| 3 | C (A) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 4 | D, E, F, G, H... (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 10 | Chemie (EDO) | |||
| 5 | N (A) | water | water | 18.0 | 163 | Chemie (HOH) |
Sequence modifications
A: 16 - 245 (UniProt: P03951)
| PDB | External Database | Details |
|---|---|---|
| Gly 113 | Asn 491 | conflict |
| Gly 115 | Thr 493 | conflict |
| 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 | 12 |
| Total formula weight | 1245.7 | |
| All* | Total formula weight | 28846.0 |
