MolNFT v1 · #180842 · protein

N-terminal finger stabilizes feline drug GC376 in coronavirus 3CL protease

7LCP · 3C-like proteinase: “N-terminal finger stabilizes feline drug GC376 in coronavirus 3CL protease”. X-ray diffraction, 2 ligands (UED, CA), 2 pockets (best druggability 0.54). MolNFT v1 #180842 on GenesisL1: 3D structure, binding…

PDB: 7LCP
Type: protein
Length: 304 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: P0C6X7
Ligands: UED, CA
Pockets: 2 · best druggability 0.54

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	304	25% helix, 28% strand	P0C6X7

Ligands and binding sites

UED · N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide · ligand · chains A
CA · Calcium ion · metal · 3 copies · chains A
EDO · 1,2-ethanediol · additive · 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	200	0.54	0.78	28	UED
2	128	0.41	0.75	24	empty

Modifications

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

Compared structures

7LCP · N-terminal finger stabilizes feline drug GC376 in coronavirus 3CL protease · 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 P0C6X7
Elsewhere: RCSB PDB 7LCP · PDBe 7LCP · UniProt P0C6X7

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