MolNFT v1 · #189489 · protein

The crystal structure of SARS-cov-2 3C-like protease in complex with a traditional chinese medicine inhibitors

7VIC · 3C-like proteinase: “The crystal structure of SARS-cov-2 3C-like protease in complex with a traditional chinese medicine inhibitors”. X-ray diffraction, 1 ligand (ODN), 2 pockets (best druggability 0.42). MolNFT v1 #189489 on…

PDB: 7VIC
Type: protein
Length: 301 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: P0DTC1
Ligands: ODN
Pockets: 2 · best druggability 0.42

Structure

x-ray diffraction · 1 distinct chain · 26% helix, 29% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	3C-like proteinase (EC 3.4.22.69)	protein	301	26% helix, 29% strand	P0DTC1

Ligands and binding sites

ODN · (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14r, 16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one · 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, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	143	0.42	0.74	17	ODN
2	63	0.29	0.74	14	empty

Modifications

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

Compared structures

7VIC · The crystal structure of SARS-CoV-2 3C-like protease in complex with a traditional… · 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 P0DTC1
Elsewhere: RCSB PDB 7VIC · PDBe 7VIC · UniProt P0DTC1

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