Ligand ID: 3QB


Drugbank ID:
DB01627
(Lincomycin)


Indication:
Lincomycin is an antibiotic used in the treatment of staphylococcal, streptococcal, and Bacteroides fragilis infections.

Get human targets for 3QB in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '3QB' AND SARS-COV-2 / COVID-19 STRUCTURES

1) User may click on the DrReposER ID (the first column) to get information on the binding sites and drug molecule.
2) Click View (the second last column) to view matched residues and superposition in the NGL viewer (upper right part).
3) User may also click on the Dock (the last column) to get script for molecular docking in UCSF Chimera throuh AutoDock Vina.

DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 View Interface RMSD Seq.
Identity (%)		 HETATM Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WH5_A_3QBA204_1
(LINCOSAMIDE
RESISTANCE PROTEIN)		6m3m NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
GLY A 130
ASP A 129
ASP A  64
PHE A 172
ILE A 132
1.51A20.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WH5_A_3QBA204_1
(LINCOSAMIDE
RESISTANCE PROTEIN)		6m71 NSP12
(SARS-CoV-2)		5 / 12
GLY A 712
ASP A 711
PHE A  45
GLN A 724
HIS A 725
1.54A11.81
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WH5_A_3QBA204_1
(LINCOSAMIDE
RESISTANCE PROTEIN)		6vyo NUCLEOPROTEIN
(SARS-CoV-2)		5 / 12
GLY D 129
ASP D 128
ASP D  63
PHE D 171
ILE D 131
1.65A23.23
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WH5_A_3QBA204_1
(LINCOSAMIDE
RESISTANCE PROTEIN)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
ASP B 179
PHE B 241
GLN B 174
PHE B 173
HIS B 175
1.74A19.81
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WH5_A_3QBA204_1
(LINCOSAMIDE
RESISTANCE PROTEIN)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
ASP A 303
ASP A 304
ILE A 307
ALA A 311
HIS A 295
1.78A11.81
None
None
None
None
ZN  A1001 (-3.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WH5_A_3QBA204_1
(LINCOSAMIDE
RESISTANCE PROTEIN)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
ASP A 221
PHE A 192
ILE A 201
GLN A 224
PHE A 219
1.67A11.81
None