Ligand ID: PNV


Drugbank ID:
DB00417
(Phenoxymethylpenicillin)


Indication:
For the treatment of mild to moderately severe infections (e.g. dental infection, infections in the heart, middle ear infections, rheumatic fever, scarlet fever, skin infections, upper and lower respiratory tract infections) due to microorganisms.

Get human targets for PNV in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'PNV' 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.
2Z71_A_PNVA903_1
(PENICILLIN ACYLASE)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 10
THR C 887
TYR C 789
PRO C 792
GLU B1072
GLN C 895
1.66A15.44
None
None
None
None
NAG  B1320 ( 4.8A)
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.
2Z71_A_PNVA903_1
(PENICILLIN ACYLASE)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 10
THR A 887
TYR A 789
PRO A 792
GLU C1072
GLN A 895
1.67A15.52
None
None
None
None
NAG  C1316 ( 4.8A)
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.
2Z71_C_PNVC904_1
(PENICILLIN ACYLASE)		6w02 NSP3
(SARS-CoV-2)		5 / 10
THR B 146
ASN B 117
GLU B 114
LYS B 110
ASP B 145
1.42A23.24
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.
2Z71_C_PNVC904_1
(PENICILLIN ACYLASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 10
THR B 146
ASN B 117
GLU B 114
LYS B 110
ASP B 145
1.57A20.71
None