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Room temperature X-ray structure of SARS-cov-2 main protease in complex with compound Z1530718726

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PDB: 7S3K
Type: protein
Length: 306 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: P0DTD1
Ligands: Z26
Pockets: 2 · best druggability 0.51

Structure

x-ray diffraction · 1 distinct chain · 26% helix, 28% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	3C-like proteinase (EC 3.4.22.69)	protein	306	26% helix, 28% strand	P0DTD1

Ligands and binding sites

Z26 · 2-(5-chloro-2-methoxyphenyl)-N-(isoquinolin-4-yl) acetamide · 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	210	0.51	0.76	31	empty
2	209	0.48	0.75	28	Z26

Compared structures

7S3K · Room temperature X-ray structure of SARS-CoV-2 main protease in complex with compound… · 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 7S3K · PDBe 7S3K · UniProt P0DTD1

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