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Crystal structure of SARS coronavirus main proteinase (3CLPRO)

Analyse Crystal structure of SARS coronavirus main proteinase (3CLPRO) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1UJ1
Type: protein
Length: 603 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 3C-like proteinase
EC: 3.4.24.-
UniProt: P59641
Pockets: 6 · best druggability 0.74

Structure

x-ray diffraction · 2 distinct chains · 27% helix, 30% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	3C-like proteinase (EC 3.4.24.-)	protein	301	27% helix, 30% strand	P59641
B	3C-like proteinase (EC 3.4.24.-)	protein	302	26% helix, 29% strand	P59641

Pockets

6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	912	0.74	0.78	64	empty
2	525	0.64	0.76	81	empty
3	269	0.59	0.79	36	empty
4	120	0.44	0.77	26	empty
5	137	0.39	0.74	22	empty

Interfaces

1 interface between chains.

A–B · 1171 Å² buried · 27 hydrogen bonds · protein-protein

Compared structures

1UJ1 · Crystal structure of SARS Coronavirus Main Proteinase (3CLpro) · 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 P59641
Elsewhere: RCSB PDB 1UJ1 · PDBe 1UJ1 · UniProt P59641

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