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Structure of SARS 3CL protease auto-proteolysis resistant mutant in the absent of inhibitor

Analyse Structure of SARS 3CL protease auto-proteolysis resistant mutant in the absent… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3AW1
Type: protein
Length: 601 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 3C-like proteinase
EC: 3.4.22.69
UniProt: P0C6U8
Pockets: 7 · best druggability 0.77

Structure

x-ray diffraction · 2 distinct chains · 26% helix, 29% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	3C-like proteinase (EC 3.4.22.69)	protein	301	26% helix, 29% strand	P0C6U8
B	3C-like proteinase (EC 3.4.22.69)	protein	300	26% helix, 29% strand	P0C6U8

Pockets

7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1033	0.77	0.79	82	empty
2	325	0.52	0.74	50	empty
3	195	0.46	0.75	26	empty
4	144	0.45	0.77	21	empty
5	150	0.43	0.75	24	empty

Interfaces

1 interface between chains.

A–B · 1236 Å² buried · 38 hydrogen bonds · protein-protein

Compared structures

3AW1 · Structure of SARS 3CL protease auto-proteolysis resistant mutant in the absent of… · 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 P0C6U8
Elsewhere: RCSB PDB 3AW1 · PDBe 3AW1 · UniProt P0C6U8

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