2FM2
HCV NS3-4A protease domain complexed with a ketoamide inhibitor, SCH446211
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, C (A, C) | NS3 protease/helicase | polymer | 200 | 21233.2 | 2 | GenBank (28921568) Pfam (PF02907) UniProt (by SIFTS) (Q9ELS8) | Hepatitis C virus | |
| 2 | B, D (B, D) | NS4a protein | polymer | 23 | 2394.0 | 2 | Pfam (PF01006) UniProt (by SIFTS) (Q9ELS8) | ||
| 3 | E, H (A, C) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 4 | F (A) | BETA-MERCAPTOETHANOL | non-polymer | 78.1 | 1 | Chemie (BME) | |||
| 5 | G (A) | TERT-BUTYL [(1S)-1-({(1R,2S,5S)-2-[(3S,10S)-3-(CYCLOPROPYLMETHYL)-12-METHYL-4,5,8,11-TETRAOXO-10-PHENYL-2,6,9,12-TETRAAZATRIDECAN-1 -OYL]-6,6-DIMETHYL-3-AZABICYCLO[3.1.0]HEX-3-YL}CARBONYL)-2,2-DIMETHYLPROPYL]CARBAMATE | non-polymer | 724.9 | 1 | Chemie (3BC) | |||
| 6 | I, J, K, L (A, B, C, D) | water | water | 18.0 | 154 | Chemie (HOH) |
Sequence modifications
A, C: 1 - 181 (GenBank: 28921568)
| PDB | External Database | Details |
|---|---|---|
| Met -10 | - | expression tag |
| Ala -9 | - | expression tag |
| Ser -8 | - | expression tag |
| Met -7 | - | expression tag |
| Thr -6 | - | expression tag |
| Gly -5 | - | expression tag |
| Gly -4 | - | expression tag |
| Gln -3 | - | expression tag |
| Gln -2 | - | expression tag |
| Met -1 | - | expression tag |
| Gly 0 | - | expression tag |
| Gly 182 | - | cloning artifact |
| Ser 183 | - | cloning artifact |
| His 184 | - | expression tag |
| His 185 | - | expression tag |
| His 186 | - | expression tag |
| His 187 | - | expression tag |
| His 188 | - | expression tag |
| His 189 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 47254.5 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 933.8 | |
| All* | Total formula weight | 48188.4 |
