MolNFT v1 · #180702 · protein
EV68 3C protease (3CPRO) in complex with rupintrivir
7L8H: “EV68 3C protease (3CPRO) in complex with rupintrivir”. X-ray diffraction, 1 ligand (AG7). MolNFT v1 #180702 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7L8H
- Type
- protein
- Length
- 371 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- A0A2K8BQT2
- Ligands
- AG7
Structure
x-ray diffraction · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 185 | — | A0A2K8BQT2 |
| B | — | protein | 186 | — | A0A2K8BQT2 |
Ligands and binding sites
- AG7 · 4-{2-(4-fluoro-benzyl)-6-methyl-5-[(5-methyl-isoxazole-3-carbonyl)-amino]-4-oxo-heptanoylamino}-5-(2-oxo-pyrrolidin-3-yl)-pentanoic acid ethyl ester · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 7L8H · EV68 3C protease (3Cpro) in Complex with Rupintrivir · 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 A0A2K8BQT2
- Elsewhere: RCSB PDB 7L8H · PDBe 7L8H · UniProt A0A2K8BQT2
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