2GVF
HCV NS3-4A protease domain complexed with a macrocyclic ketoamide inhibitor, SCH419021
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, C | polyprotein | polymer | 199 | 21102.0 | 2 | GenBank (22129793) Pfam (PF02907) UniProt (by SIFTS) (P26664) In PDB | Hepatitis C virus | |
2 | B, D | Polyprotein | polymer | 23 | 2394.0 | 2 | GenBank (22129793) Pfam (PF01006) UniProt (by SIFTS) (P26664) In PDB | ||
3 | A, C | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
4 | A | (6R,8S,11S)-11-CYCLOHEXYL-N-(1-{[(2-{[(1S)-2-(DIMETHYLAMINO)-2-OXO-1-PHENYLETHYL]AMINO}-2-OXOETHYL)AMINO](OXO)ACETYL}BUTYL)-10,13-DIOXO-2,5-DIOXA-9,12-DIAZATRICYCLO[14.3.1.1~6,9~]HENICOSA-1(20),16,18-TRIENE-8-CARBOXAMIDE | non-polymer | 788.9 | 1 | Chemie (NHN) | |||
5 | water | water | 18.0 | 128 | Chemie (HOH) |
Sequence modifications
A, C: 1 - 181 (GenBank: 22129793)
B, D: 23 - 39 (GenBank: 22129793)
PDB | External Database | Details |
---|---|---|
Ala -9 | - | CLONING ARTIFACT |
Ser -8 | - | CLONING ARTIFACT |
Met -7 | - | CLONING ARTIFACT |
Thr -6 | - | CLONING ARTIFACT |
Gly -5 | - | CLONING ARTIFACT |
Gly -4 | - | CLONING ARTIFACT |
Gln -3 | - | CLONING ARTIFACT |
Gln -2 | - | CLONING ARTIFACT |
Met -1 | - | CLONING ARTIFACT |
Gly 0 | - | CLONING ARTIFACT |
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 |
PDB | External Database | Details |
---|---|---|
Lys 19 | - | INSERTION |
Lys 20 | - | INSERTION |
Gly 21 | - | INSERTION |
Ser 22 | - | INSERTION |
Lys 40 | - | INSERTION |
Lys 41 | - | INSERTION |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 4 |
Total formula weight | 46992.1 | |
Non-Polymers* | Number of molecules | 3 |
Total formula weight | 919.7 | |
All* | Total formula weight | 47911.9 |