MolNFT v2 · #185851 · protein

1.50 A resolution structure of SARS-CoV-2 3CL protease in complex with inhibitor 2k

7LKT: “1.50 A resolution structure of SARS-CoV-2 3CL protease in complex with inhibitor 2k”. X-ray diffraction at 1.5, 2 ligands (Y7M, Y4V). MolNFT v2 #185851 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7LKT
Type: protein
Length: 597 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v2 / PDB Bank
Contract: 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner: 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution: 1.5
Source: Severe acute respiratory syndrome coronavirus 2
UniProt: P0DTD1
Ligands: Y7M, Y4V

Structure

x-ray diffraction · resolution 1.5 · 2 distinct chains.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	—	protein	297	—	P0DTD1
B	—	protein	300	—	P0DTD1

Ligands and binding sites

Y7M · (1S,2S)-2-((S)-2-(((adamantan-1-ylmethoxy)carbonyl) amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid · ligand · 2 copies · chains A, B
Y4V · (1R,2S)-2-((S)-2-(((adamantan-1-ylmethoxy)carbonyl) amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid · ligand · 2 copies · chains A, B
PG4 · Tetraethylene glycol · additive · 2 copies · chains B
FLC · Citrate anion · additive · chains B

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

Compared structures

7LKT · 1.50 a resolution structure of SARS-cov-2 3CL protease in complex with inhibitor 2K · 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 7LKT · PDBe 7LKT · UniProt P0DTD1

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