1O5G
Dissecting and Designing Inhibitor Selectivity Determinants at the S1 site Using an Artificial Ala190 Protease (Ala190 uPA)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (L) | Prothrombin | polymer | 36 | 4096.5 | 1 | UniProt (P00734) Pfam (PF09396) | Homo sapiens (human) | Coagulation factor II |
| 2 | B (H) | Prothrombin | polymer | 259 | 29780.2 | 1 | UniProt (P00734) Pfam (PF00089) | Homo sapiens (human) | Coagulation factor II |
| 3 | C (I) | Hirudin IIIB' | polymer | 11 | 1491.5 | 1 | UniProt (P28511) UniProt (by SIFTS) (P28504) | Hirudo medicinalis | |
| 4 | D (H) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) PubChem (923) | |||
| 5 | E (H) | CALCIUM ION | non-polymer | 40.1 | 1 | Chemie (CA) PubChem (271) | |||
| 6 | F (H) | 2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE | non-polymer | 382.4 | 1 | Chemie (CR9) | |||
| 7 | G, H, I (L, H, I) | water | water | 18.0 | 118 | Chemie (HOH) |
Sequence modifications
I: 55 - 65 (UniProt: P28511)
| PDB | External Database | Details |
|---|---|---|
| Tys 63 | Tyr 63 | modified residue |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 35368.3 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 445.5 | |
| All* | Total formula weight | 35813.8 |
