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Type 2 rhinovirus 3C protease with AG7088 inhibitor

Analyse Type 2 rhinovirus 3C protease with AG7088 inhibitor in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1CQQ
Type
protein
Length
180 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Type 2 rhinovirus 3C protease
UniProt
P04936
Ligands
AG7

Structure

x-ray diffraction · 1 distinct chain · 13% helix, 52% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AType 2 rhinovirus 3C proteaseprotein18013% helix, 52% strandP04936

Ligands and binding sites

  • AG7 · 4-{2-(4-fluoro-benzyl)-6-methyl-5-[(5-methyl-isoxazole-3-carbonyl)-amino]-4-oxo-heptanoylamino}-5-(2-oxo-pyrrolidin-3-yl)-pentanoic acid ethyl ester · 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

  • 1CQQ · Type 2 rhinovirus 3C protease with AG7088 inhibitor · the same entry in another collection · chain A against A, TM-score 1.00

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