Crystal structure of hepatis C virus protease (NS3) complexed with tripeptidic acyl sulfonamide inhibitor (compound 18). Determined by X-ray diffraction at 1.97 Å resolution. Released 21 Mar 2018.
Explore 6BQK in 3D Show helices and sheets RCSB PDB PDBe
6BQK contains 24 α-helices and 44 β-strands across 2 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.
| Element | Residues | Length | Sheet |
|---|---|---|---|
| β-strand | -8 | 1 | 1 |
| β-strand | -7--1 | 7 | 2 |
| β-strand | 6-9 | 4 | 2 |
| α-helix | 13-22 | 10 | |
| β-strand | 24 | 1 | 3 |
| α-helix | 27-29 | 3 | |
| β-strand | 31 | 1 | 4 |
| β-strand | 33-37 | 5 | 2 |
| β-strand | 42-48 | 7 | 2 |
| β-strand | 51-55 | 5 | 2 |
| α-helix | 56-59 | 4 | |
| β-strand | 64 | 1 | 1 |
| β-strand | 66 | 1 | 3 |
| α-helix | 70 | 1 | |
| β-strand | 71 | 1 | 1 |
| α-helix | 72-73 | 2 | |
| β-strand | 75-77 | 3 | 2 |
| β-strand | 82-86 | 5 | 2 |
| α-helix | 87-88 | 2 | |
| β-strand | 91 | 1 | 4 |
| α-helix | 92-93 | 2 | |
| β-strand | 94 | 1 | 2 |
| α-helix | 95 | 1 | |
| β-strand | 96 | 1 | 5 |
| α-helix | 97 | 1 | |
| β-strand | 103-107 | 5 | 5 |
| α-helix | 108 | 1 | |
| β-strand | 113-118 | 6 | 5 |
| β-strand | 123-131 | 9 | 5 |
| α-helix | 132-135 | 4 | |
| α-helix | 141 | 1 | |
| β-strand | 142-144 | 3 | 5 |
| β-strand | 150-160 | 11 | 5 |
| β-strand | 163-171 | 9 | 5 |
| α-helix | 172-180 | 9 |
| Element | Residues | Length | Sheet |
|---|---|---|---|
| β-strand | -8 | 1 | 6 |
| β-strand | -7--1 | 7 | 7 |
| β-strand | 6-9 | 4 | 7 |
| α-helix | 16-22 | 7 | |
| β-strand | 24 | 1 | 8 |
| β-strand | 31 | 1 | 9 |
| β-strand | 33-37 | 5 | 7 |
| β-strand | 42-48 | 7 | 7 |
| β-strand | 51-55 | 5 | 7 |
| α-helix | 56-59 | 4 | |
| β-strand | 64 | 1 | 6 |
| β-strand | 66 | 1 | 8 |
| α-helix | 70 | 1 | |
| β-strand | 71 | 1 | 6 |
| α-helix | 72-73 | 2 | |
| β-strand | 75-77 | 3 | 7 |
| β-strand | 82-86 | 5 | 7 |
| α-helix | 87-88 | 2 | |
| β-strand | 91 | 1 | 9 |
| α-helix | 92-93 | 2 | |
| β-strand | 94 | 1 | 7 |
| α-helix | 95 | 1 | |
| β-strand | 96 | 1 | 10 |
| α-helix | 97 | 1 | |
| β-strand | 103-107 | 5 | 10 |
| β-strand | 113-118 | 6 | 10 |
| β-strand | 123-131 | 9 | 10 |
| α-helix | 132-135 | 4 | |
| α-helix | 141 | 1 | |
| β-strand | 142-144 | 3 | 10 |
| β-strand | 150-160 | 11 | 10 |
| β-strand | 163-171 | 9 | 10 |
| α-helix | 172-180 | 9 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| NS3 protease | A, B | protein | 219 | Hepatitis C virus | P27958 (AlphaFold model) |
>6BQK_1 NS3 protease (chains A, B) MKKKGSVVIVGRINLSGDTAYAQQTRGEEGCQETSQTGRDKNQVEGEVQIVSTATQTFLA TSINGVLWTVYHGAGTRTIASPKGPVTQMYTNVDKDLVGWQAPQGSRSLTPCTCGSSDLY LVTRHADVIPVRRRGDSRGSLLSPRPISYLKGSSGGPLLCPAGHAVGIFRAAVCTRGVAK AVDFIPVESLETTMRSPAIRAPSTSLRPHSSTTTTTTEI
| ID | Name | Formula | Copies |
|---|---|---|---|
| ZN | Zinc ion | Zn | 2 |
| Z1E | N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin… | C34 H44 Cl F2 N5 O9 S | 2 |
Potent Inhibitors of Hepatitis C Virus NS3 Protease: Employment of a Difluoromethyl Group as a Hydrogen-Bond Donor. Zheng, B., D'Andrea, S.V., Sun, L.Q. et al. ACS Med Chem Lett (2018) 9:143-148. DOI 10.1021/acsmedchemlett.7b00503 · PubMed
Other PDB entries of the same protein (UniProt P27958 (AlphaFold model), which also has an AlphaFold model), best resolution first:
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