MolNFT v1 · #155845 · protein
Crystal structure of EV71-3C protease with a novel macrocyclic compounds
6LKA · 3C proteinase: “Crystal structure of EV71-3C protease with a novel macrocyclic compounds”. X-ray diffraction, 1 ligand (EGF). MolNFT v1 #155845 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6LKA
- Type
- protein
- Length
- 181 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3C proteinase
- EC
- 3.4.22.29, 3.6.1.15, 3.4.22.28, 2.7.7.48
- UniProt
- A9XG43
- Ligands
- EGF
Structure
x-ray diffraction · 1 distinct chain · 12% helix, 49% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3C proteinase (EC 3.4.22.29, 3.6.1.15, 3.4.22.28, 2.7.7.48) | protein | 181 | 12% helix, 49% strand | A9XG43 |
Ligands and binding sites
- EGF · ~{N}-[(2~{S})-1-[[(2~{S},3~{S},6~{S},7~{Z},12~{E})-4,9-bis(oxidanylidene)-6-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]-2-phenyl-1,10-dioxa-5-azacyclopentadeca-7,12-dien-3-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide · 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
- 6LKA · Crystal Structure of EV71-3C protease with a Novel Macrocyclic Compounds · 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 6LKA · PDBe 6LKA · UniProt A9XG43
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