MolNFT v1 · #168862 · protein

Feline coronavirus drug inhibits the main protease of SARS-cov-2 and blocks virus replication

6WTJ · 3C-like proteinase: “Feline coronavirus drug inhibits the main protease of SARS-cov-2 and blocks virus replication”. X-ray diffraction, 1 ligand (K36), 2 pockets (best druggability 0.52). MolNFT v1 #168862 on GenesisL1: 3D…

PDB: 6WTJ
Type: protein
Length: 306 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: K36
Pockets: 2 · best druggability 0.52

Structure

x-ray diffraction · 1 distinct chain · 25% helix, 28% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	3C-like proteinase (EC 3.4.22.69)	protein	306	25% helix, 28% strand	P0DTD1

Ligands and binding sites

K36 · (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid · 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	206	0.52	0.77	26	K36
2	94	0.36	0.75	15	empty

Modifications

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

Compared structures

6WTJ · Feline coronavirus drug inhibits the main protease of SARS-CoV-2 and blocks virus… · 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 6WTJ · PDBe 6WTJ · UniProt P0DTD1

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