MolNFT v1 · #180363 · protein

Crystal structure of the SARS-cov-2 (COVID-19) main protease in complex with noncovalent inhibitor JUN8-76-3A

7KX5 · 3C-like proteinase: “Crystal structure of the SARS-cov-2 (COVID-19) main protease in complex with noncovalent inhibitor JUN8-76-3A”. X-ray diffraction, 1 ligand (X7V), 2 pockets (best druggability 0.55). MolNFT v1 #180363 on…

PDB: 7KX5
Type: protein
Length: 303 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 3C-like proteinase
EC: 3.4.22.69
UniProt: P0DTD1
Ligands: X7V
Pockets: 2 · best druggability 0.55

Structure

x-ray diffraction · 1 distinct chain · 24% helix, 28% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	3C-like proteinase (EC 3.4.22.69)	protein	303	24% helix, 28% strand	P0DTD1

Ligands and binding sites

X7V · N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]furan-2-carboxamide · ligand · chains A
GOL · Glycerol · additive · 2 copies · 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	247	0.55	0.77	30	X7V
2	52	0.28	0.75	12	empty

Compared structures

7KX5 · Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with noncovalent… · 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 P0DTD1
Elsewhere: RCSB PDB 7KX5 · PDBe 7KX5 · UniProt P0DTD1

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