MolNFT v1 · #146481 · protein
Crystal structure of HCV NS3/4A D168A protease in complex with P4-P5-2 (aj-67)
6DIV: “Crystal structure of HCV NS3/4A D168A protease in complex with P4-P5-2 (aj-67)”. X-ray diffraction, 3 ligands (GKA, ZN, SO4). MolNFT v1 #146481 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6DIV
- Type
- protein
- Length
- 198 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- A0A0B4WYC6
- Ligands
- GKA, ZN, SO4
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 198 | — | A0A0B4WYC6 |
Ligands and binding sites
- GKA · (2r,6s,12z,13as,14ar,16as)-6-[(N-acetyl-3-methyl-L-valyl)amino]-2-[(7-methoxy-3-methylquinoxalin-2-yl) oxy]-N-[(1-methylcyclopropyl)sulfonyl]-5,16-dioxo-1,2, 3,6,7,8,9,10,11,13A,14,15,16,16A-tetradecahydrocyclopropa[e]pyrrolo[1,2-A][1, 4]diazacyclopentadecine-14A(5H)-carboxamide · ligand · chains A
- ZN · Zinc ion · metal · chains A
- SO4 · Sulfate ion · ion · 4 copies · chains A
- GOL · Glycerol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6DIV · Crystal structure of HCV NS3/4A D168A protease in complex with P4-P5-2 (AJ-67) · 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 6DIV · PDBe 6DIV · UniProt A0A0B4WYC6
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