Research workbench

Structure of the EV71 3CPRO with 338 inhibitor

Analyse Structure of the EV71 3CPRO with 338 inhibitor in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7WYO
Type: protein
Length: 352 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 3C protein
UniProt: E7E815
Ligands: G7F
Pockets: 2 · best druggability 0.60

Structure

x-ray diffraction · 2 distinct chains · 13% helix, 54% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	3C protein	protein	180	13% helix, 56% strand	E7E815
B	3C protein	protein	172	12% helix, 52% strand	E7E815

Ligands and binding sites

G7F · N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)prop-2-enamide · ligand · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	469	0.60	0.75	44	empty
2	76	0.43	0.80	14	empty

Interfaces

1 interface between chains.

A–B · 175 Å² buried · 4 hydrogen bonds · protein-protein

Modifications

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

Compared structures

7WYO · Structure of the EV71 3Cpro with 338 inhibitor · 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 E7E815
Elsewhere: RCSB PDB 7WYO · PDBe 7WYO · UniProt E7E815

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.