MolNFT v1 · #175914 · protein
Discovery of bms-986144, a third generation, pan genotype NS3/4A protease inhibitor for the treatment of hepatitis C virus infection
7D5L: “Discovery of bms-986144, a third generation, pan genotype NS3/4A protease inhibitor for the treatment of…”. X-ray diffraction, 2 ligands (GXO, ZN). MolNFT v1 #175914 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7D5L
- Type
- protein
- Length
- 772 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Ligands
- GXO, ZN
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, D, E | — | protein | 193 | — | — |
Ligands and binding sites
- GXO · [1,1,1-tris(fluoranyl)-2-methyl-propan-2-yl] ~{N}-[(1~{S},4~{R},6~{S},7~{Z},11~{R},13~{R},14~{S}, 18~{R})-13-ethyl-18-(7-fluoranyl-6-methoxy-isoquinolin-1-yl)oxy-11-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-bis(oxidanylidene)-3,16-diazatricyclo[14.3.0.0^{4, 6}]nonadec-7-en-14-yl]carbamate · ligand · 4 copies · chains A, E, B, D
- ZN · Zinc ion · metal · 4 copies · chains A, B, D, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 7D5L · Discovery of BMS-986144, a Third Generation, Pan Genotype NS3/4A Protease Inhibitor for… · 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
- Elsewhere: RCSB PDB 7D5L · PDBe 7D5L
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