MolNFT v1 · #84788 · protein

3C protease of enterovirus 68 complexed with michael receptor inhibitor 82

3ZVC: “3C protease of enterovirus 68 complexed with michael receptor inhibitor 82”. X-ray diffraction, 1 ligand (G82), 1 pocket (best druggability 0.37). MolNFT v1 #84788 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3ZVC
Type: protein
Length: 188 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 3C protease
EC: 3.4.22.28
UniProt: A1E4A3
Ligands: G82
Pockets: 1 · best druggability 0.37

Structure

x-ray diffraction · 1 distinct chain · 11% helix, 52% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	3C protease (EC 3.4.22.28)	protein	188	11% helix, 52% strand	A1E4A3

Ligands and binding sites

G82 · Ethyl (5S,8S,11R)-8-benzyl-5-(3-tert-butoxy-3-oxopropyl)-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.

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	105	0.37	0.74	16	empty

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

3ZVC · 3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 82 · 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 A1E4A3
Elsewhere: RCSB PDB 3ZVC · PDBe 3ZVC · UniProt A1E4A3

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