UniProt C1KIK8
NS3 protease (C1KIK8)
NS3 protease (UniProt C1KIK8): 18 experimental structures on GenesisL1, 8 ligands bound, 12 pockets. Binding sites, pockets, druggability and 3D structures in GL1X.
- UniProt
- C1KIK8
- Protein
- NS3 protease
- Experimental structures
- 18
- Predicted models
- 0
- Ligands
- 8
- Pockets
- 12 · 1 record with a druggable one
Structures
18 records of C1KIK8 in the MolNFT archive: 18 experimental, 0 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 5EPN | Crystal structure of HCV NS3/4A protease in complex with 5172-mcP1P3 (MK-5172 P1-P3 macrocyclic… | x-ray diffraction | A | ZN, SO4, 5R2 | — |
| 5EPN | Crystal structure of HCV NS3/4A protease in complex with 5172-MCP1P3 (mk-5172 P1-P3 macrocyclic… | x-ray diffraction | A | — | — |
| 5EPY | Crystal structure of HCV NS3/4A protease A156T variant in complex with 5172-mcP1P3 (MK-5172 P1-P3… | x-ray diffraction | A | ZN, SO4, 5R2 | — |
| 5EPY | Crystal structure of HCV NS3/4A protease A156T variant in complex with 5172-MCP1P3 (mk-5172 P1-P3… | x-ray diffraction | A | — | — |
| 5EQQ | Crystal structure of HCV NS3/4A WT protease in complex with 5172-Linear (MK-5172 linear analogue) | x-ray diffraction | A | SO4, ZN, 5RS | — |
| 5EQQ | Crystal structure of HCV NS3/4A wt protease in complex with 5172- linear (mk-5172 linear analogue) | x-ray diffraction | A | — | — |
| 5EQR | Crystal structure of a genotype 1a/3a chimeric HCV NS3/4A protease in complex with danoprevir | x-ray diffraction | A | TSV, ZN, SO4 | — |
| 5EQR | Crystal structure of a genotype 1A/3A chimeric HCV NS3/4A protease in complex with danoprevir | x-ray diffraction | A | — | — |
| 5EQS | Crystal structure of a genotype 1a/3a chimeric HCV NS3/4A protease in complex with Asunaprevir | x-ray diffraction | A | 2R9, ZN | — |
| 5EQS | Crystal structure of a genotype 1A/3A chimeric HCV NS3/4A protease in complex with asunaprevir | x-ray diffraction | A | — | — |
| 5ESB | Crystal structure of a genotype 1a/3a chimeric HCV NS3/4A protease in complex with Vaniprevir | x-ray diffraction | A | ZN, SO4 | — |
| 5ESB | Crystal structure of a genotype 1A/3A chimeric HCV NS3/4A protease in complex with vaniprevir | x-ray diffraction | A | — | — |
| 5ETX | Crystal structure of HCV NS3/4A protease A156T variant in complex with 5172-Linear (MK-5172 linear… | x-ray diffraction | A, B, C, D | ZN, 5RS, CL | — |
| 5ETX | Crystal structure of HCV NS3/4A protease A156T variant in complex with 5172-linear (mk-5172 linear… | x-ray diffraction | A, B, C, D | — | — |
| 6C2M | Crystal structure of HCV NS3/4A protease variant Y56H in complex with MK-5172 | x-ray diffraction | A, B, C, D | ZN, SUE, SO4 | 10 (best 0.77) |
| 6C2M | Crystal structure of HCV NS3/4A protease variant Y56H in complex with mk-5172 | x-ray diffraction | A, B, C, D | ZN, SO4 | — |
| 6C2O | Crystal structure of HCV NS3/4A protease variant Y56H in complex with danoprevir | x-ray diffraction | A | TSV, ZN | 2 (best 0.42) |
| 6C2O | Crystal structure of HCV NS3/4A protease variant Y56H in complex with danoprevir | x-ray diffraction | A | TSV, ZN | — |
Ligands
- ZN · Zinc ion · in 11 records
- SO4 · Sulfate ion · in 7 records
- TSV · (2R,6S,12Z,13aS,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8 ,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2H-isoindole-2-carboxylate · in 3 records
- 5R2 · 2-Methyl-2-propanyl {(2R,6S,12Z,13aS,14aR,16aS)-14a-[(cyclopropylsulfonyl)carbamoyl]-2-[(3-ethyl-7-methoxy-2-quinoxalinyl)oxy]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclop ropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate · in 2 records
- 5RS · ~{tert}-butyl ~{N}-[(2~{S})-1-[(2~{S},4~{R})-2-[[(1~{R},2~{R})-1-(cyclopropylsulfonylcarbamoyl)-2-ethyl-cyclopropyl]carbamoyl]-4-(3-ethyl-7-methoxy-quinoxalin-2-yl)oxy-pyrrolidin-1-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate · in 2 records
- 2R9 · N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-L-prolinamide · in 1 record
- CL · Chloride ion · in 1 record
- SUE · (1aR,5S,8S,10R,22aR)-5-tert-butyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-14-methoxy-3,6-di oxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadec ino[11,12-b]quinoxaline-8-carboxamide · in 1 record
Elsewhere
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.