MolNFT v1 · #155934 · protein

The co-crystal structure of SARS-cov 3C like protease with aldehyde inhibitor M7

6LNQ · Severe acute respiratory syndrome coronavirus 3C like…: “The co-crystal structure of SARS-cov 3C like protease with aldehyde inhibitor M7”. X-ray diffraction, 1 ligand (EJF), 2 pockets (best druggability 0.50). MolNFT v1 #155934 on…

PDB: 6LNQ
Type: protein
Length: 306 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Severe acute respiratory syndrome coronavirus 3C like protease
Ligands: EJF
Pockets: 2 · best druggability 0.50

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Severe acute respiratory syndrome coronavirus 3C like protease	protein	306	25% helix, 28% strand	—

Ligands and binding sites

EJF · N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-1H-indole-2-carboxamide · 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	195	0.50	0.77	25	EJF
2	101	0.38	0.75	23	empty

Modifications

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

Compared structures

6LNQ · The co-crystal structure of SARS-CoV 3C Like Protease with aldehyde inhibitor M7 · 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
Elsewhere: RCSB PDB 6LNQ · PDBe 6LNQ

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