MolNFT v1 · #122749 · protein
Complex structure of ev-B93 main protease 3C with N-ethyl 4-((1- cycloheptyl-1,2-dihydropyrazol-3-one-5-yl)-amino)-4-oxo-2Z-butenamide
5IYT: “Complex structure of ev-B93 main protease 3C with N-ethyl 4-((1…”. X-ray diffraction, 1 ligand (NZN). MolNFT v1 #122749 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5IYT
- Type
- protein
- Length
- 364 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ev-B93 main protease 3C
- EC
- 3.4.22.29, 3.6.1.15, 3.4.22.28
- UniProt
- O91734
- Ligands
- NZN
Structure
x-ray diffraction · 1 distinct chain · 13% helix, 56% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Ev-B93 main protease 3C (EC 3.4.22.29, 3.6.1.15, 3.4.22.28) | protein | 182 | 13% helix, 56% strand | O91734 |
Ligands and binding sites
- NZN · N-Ethyl 4-((1-cycloheptyl-1,2-dihydropyrazol-3-one-5-yl)-amino)-4-oxo-butanamide · ligand · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Interfaces
1 interface between chains.
- A–B · 879 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 5IYT · Complex structure of EV-B93 main protease 3C with N-Ethyl… · the same entry in another collection · chain B against B, 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 O91734
- Elsewhere: RCSB PDB 5IYT · PDBe 5IYT · UniProt O91734
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