MolNFT v1 · #84924 · protein
Crystal structure of 3C protease mutant (T68A and N126Y) of coxsackievirus B3 complexed with alpha, beta-unsaturated ethyl ester inhibitor 83
3ZZC · 3C proteinase: “Crystal structure of 3C protease mutant (T68A and N126Y) of coxsackievirus B3 complexed with alpha…”. X-ray diffraction, 1 ligand (G83). MolNFT v1 #84924 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3ZZC
- 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
- G83
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 | 180 | 12% helix, 54% strand | Q90092 |
Ligands and binding sites
- G83 · Ethyl (5S,8S,11R)-8-benzyl-5-(2-tert-butoxy-2-oxoethyl)-3,6,9-trioxo-11-{[(3S)-2-oxopyrrolidin-3-yl]methyl}-1-phenyl-2-oxa-4,7,10-triazatetradecan-14-oate · 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
- 3ZZC · 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 3ZZC · PDBe 3ZZC · UniProt Q90092
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