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Semet labeled derivative of cavally virus 3CL protease

Analyse Semet labeled derivative of cavally virus 3CL protease in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 5LAC
Type: protein
Length: 599 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 3CL protease
UniProt: F8RL29
Pockets: 8 · best druggability 0.83

Structure

x-ray diffraction · 2 distinct chains · 25% helix, 28% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	3CL protease	protein	298	24% helix, 29% strand	F8RL29
B	3CL protease	protein	301	27% helix, 28% strand	F8RL29

Ligands and binding sites

GOL · Glycerol · additive · 2 copies · chains A, B

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

Pockets

8 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	207	0.83	0.97	36	empty
2	532	0.63	0.75	71	GOL
3	103	0.45	0.79	15	GOL
4	97	0.34	0.73	23	empty
5	71	0.34	0.75	15	empty

Interfaces

1 interface between chains.

A–B · 1753 Å² buried · 27 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 modified (engineered).

Compared structures

5LAC · SeMet Labeled Derivative of Cavally Virus 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 F8RL29
Elsewhere: RCSB PDB 5LAC · PDBe 5LAC · UniProt F8RL29

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