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Structure of SARS-cov-2 papain-like protease plpro in complex with 4- (2-HYDROXYETHYL)PHENOL

Analyse Structure of SARS-cov-2 papain-like protease plpro in complex with 4… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7OFS
Type: protein
Length: 315 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Papain-like protease NSP3
EC: 3.4.19.12, 3.4.22.-
UniProt: P0DTC1
Ligands: YRL, ZN, CL, PO4
Pockets: 3 · best druggability 0.58

Structure

x-ray diffraction · 1 distinct chain · 26% helix, 37% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Papain-like protease NSP3 (EC 3.4.19.12, 3.4.22.-)	protein	315	26% helix, 37% strand	P0DTC1

Ligands and binding sites

YRL · 4-(2-hydroxyethyl)phenol · ligand · chains A
ZN · Zinc ion · metal · chains A
CL · Chloride ion · ion · 3 copies · chains A
PO4 · Phosphate ion · ion · chains A
GOL · Glycerol · additive · chains A

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

Pockets

3 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	92	0.58	0.86	17	YRL
2	57	0.37	0.79	17	empty
3	88	0.37	0.76	17	empty

Compared structures

7OFS · Structure of SARS-CoV-2 Papain-like protease PLpro in complex with… · the same entry in another collection · chain A against A, TM-score 1.00

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Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P0DTC1
Elsewhere: RCSB PDB 7OFS · PDBe 7OFS · UniProt P0DTC1

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