MolNFT v2 · #146610 · protein
Crystal structure of HCV NS3/4A WT protease in complex with AJ-50 (MK-5172 linear analogue)
6CVX · NS3 protease: “Crystal structure of HCV NS3/4A WT protease in complex with AJ-50 (MK-5172 linear analogue)”. X-ray diffraction at 1.779, 3 ligands (FH4, ZN, SO4). MolNFT v2 #146610 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6CVX
- Type
- protein
- Length
- 200 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.779
- Source
- Hepacivirus C
- Molecule
- NS3 protease
- UniProt
- A0A0B4WYC6
- Ligands
- FH4, ZN, SO4
Structure
x-ray diffraction · resolution 1.779 · 1 distinct chain · 16% helix, 44% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | NS3 protease | protein | 200 | 16% helix, 44% strand | A0A0B4WYC6 |
Ligands and binding sites
- FH4 · N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-[(1R,2S)-2-ethenyl-1-{[(1-methylcyclopropyl) sulfonyl]carbamoyl}cyclopropyl]-4-{[7-methoxy-3-(propan-2-yl)quinoxalin-2-yl]oxy}-L-prolinamide · ligand · chains A
- ZN · Zinc ion · metal · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6CVX · Crystal structure of HCV NS3/4A wt protease in complex with aj-50 (mk- 5172 linear… · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt A0A0B4WYC6
- Elsewhere: RCSB PDB 6CVX · PDBe 6CVX · UniProt A0A0B4WYC6
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