MolNFT v1 · #114436 · protein
Crystal structure of EV71 3CPRO in complex with a potent and selective inhibitor
5BPE: “Crystal structure of EV71 3CPRO in complex with a potent and selective inhibitor”. X-ray diffraction, 1 ligand (E22). MolNFT v1 #114436 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5BPE
- Type
- protein
- Length
- 180 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- EV71 3CPRO
- Ligands
- E22
Structure
x-ray diffraction · 1 distinct chain · 13% helix, 55% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | EV71 3CPRO | protein | 180 | 13% helix, 55% strand | — |
Ligands and binding sites
- E22 · (2~{S})-~{N}-[(1~{R},2~{S})-1-cyano-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-3-phenyl-2-[[(~{E})-3-phenylprop-2-enoyl]amino]propanamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Elsewhere: RCSB PDB 5BPE · PDBe 5BPE
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