MolNFT v1 · #109726 · protein

1.60 a resolution structure of norovirus 3CL protease complex with a covalently bound dipeptidyl inhibitor (1R,2S)-2-({N-[(benzyloxy) carbonyl]-3-cyclohexyl-L-ALANYL}AMINO)-1-hydroxy-3-[(3S)-2- oxopyrrolidin-3-YL]PROPANE-1-sulfonic acid (hexagonal form)

4XBC · 3C-like protease: “1.60 a resolution structure of norovirus 3CL protease complex with a covalently bound dipeptidyl inhibitor…”. X-ray diffraction, 1 ligand (M40). MolNFT v1 #109726 on GenesisL1: 3D structure, binding sites and…

PDB: 4XBC
Type: protein
Length: 174 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 3C-like protease
EC: 3.4.22.66
UniProt: Q83883
Ligands: M40

Structure

x-ray diffraction · 1 distinct chain · 6% helix, 50% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	3C-like protease (EC 3.4.22.66)	protein	174	6% helix, 50% strand	Q83883

Ligands and binding sites

M40 · (1R,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid · ligand · chains A
PG4 · Tetraethylene glycol · additive · chains A

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

Modifications

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

Compared structures

4XBC · 1.60 A resolution structure of Norovirus 3CL protease complex with a covalently bound… · 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 Q83883
Elsewhere: RCSB PDB 4XBC · PDBe 4XBC · UniProt Q83883

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