MolNFT v1 · #114846 · protein
Crystal structure of EV71 3C proteinase in complex with compound 1
5C1Y: “Crystal structure of EV71 3C proteinase in complex with compound 1”. X-ray diffraction, 1 ligand (GHY). MolNFT v1 #114846 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5C1Y
- Type
- protein
- Length
- 181 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3C proteinase
- EC
- 3.4.22.28
- UniProt
- A9XG43
- Ligands
- GHY
Structure
x-ray diffraction · 1 distinct chain · 12% helix, 54% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3C proteinase (EC 3.4.22.28) | protein | 181 | 12% helix, 54% strand | A9XG43 |
Ligands and binding sites
- GHY · propan-2-yl N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 5C1Y · Crystal structure of EV71 3C Proteinase in complex with Compound 1 · 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 A9XG43
- Elsewhere: RCSB PDB 5C1Y · PDBe 5C1Y · UniProt A9XG43
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