MolNFT v1 · #160393 · protein
Crystal structure of HCV NS3/4A D168A protease in complex with P4-P5-4 (aj-65)
6PJ2: “Crystal structure of HCV NS3/4A D168A protease in complex with P4-P5-4 (aj-65)”. X-ray diffraction, 3 ligands (OM7, ZN, SO4). MolNFT v1 #160393 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6PJ2
- Type
- protein
- Length
- 197 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- A0A0B4WYC6
- Ligands
- OM7, ZN, SO4
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 197 | — | A0A0B4WYC6 |
Ligands and binding sites
- OM7 · (2r,6s,12z,13as,14ar,16as)-6-[(N-acetyl-L-isoleucyl) amino]-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-N-[(1-methylcyclo propyl)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]diazacycl opentadecine-14A(5H)-carboxamide · ligand · chains A
- ZN · Zinc ion · metal · chains A
- SO4 · Sulfate ion · ion · chains A
- EDO · 1,2-ethanediol · additive · 4 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6PJ2 · Crystal structure of HCV NS3/4A D168A protease in complex with P4-P5-4 (AJ-65) · 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 6PJ2 · PDBe 6PJ2 · UniProt A0A0B4WYC6
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