MolNFT v1 · #146482 · protein
Crystal structure of HCV NS3/4A D168A protease in complex with P4-1 (aj-71)
6DIW: “Crystal structure of HCV NS3/4A D168A protease in complex with P4-1 (aj-71)”. X-ray diffraction, 3 ligands (GKG, ZN, SO4). MolNFT v1 #146482 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6DIW
- Type
- protein
- Length
- 199 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- A0A0B4WYC6
- Ligands
- GKG, ZN, SO4
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 199 | — | A0A0B4WYC6 |
Ligands and binding sites
- GKG · 1,1,1-trifluoro-2-methylpropan-2-yl [(2r,6s,12z,13as, 14ar,16as)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14A-{[(1-methylcyclopropyl)sulfonyl]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-6-yl]carbamate · ligand · chains A
- ZN · Zinc ion · metal · chains A
- SO4 · Sulfate ion · ion · 4 copies · chains A
- GOL · Glycerol · additive · 5 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6DIW · Crystal structure of HCV NS3/4A D168A protease in complex with P4-1 (AJ-71) · 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 6DIW · PDBe 6DIW · UniProt A0A0B4WYC6
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