MolNFT v1 · #84925 · protein
Crystal structure of 3C protease mutant (T68A and N126Y) of coxsackievirus B3 complexed with alpha, beta-unsaturated ethyl ester inhibitor 85
3ZZD · 3C proteinase: “Crystal structure of 3C protease mutant (T68A and N126Y) of coxsackievirus B3 complexed with alpha…”. X-ray diffraction, 1 ligand (G85). MolNFT v1 #84925 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3ZZD
- Type
- protein
- Length
- 180 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3C proteinase
- EC
- 3.4.22.28
- UniProt
- Q90092
- Ligands
- G85
Structure
x-ray diffraction · 1 distinct chain · 12% helix, 55% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3C proteinase (EC 3.4.22.28) | protein | 180 | 12% helix, 55% strand | Q90092 |
Ligands and binding sites
- G85 · N-[(benzyloxy)carbonyl]-O-tert-butyl-L-seryl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide · 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
- 3ZZD · Crystal structure of 3C protease mutant (T68A and N126Y) of coxsackievirus B3 complexed… · 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 Q90092
- Elsewhere: RCSB PDB 3ZZD · PDBe 3ZZD · UniProt Q90092
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