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-RELATED PROTEINS ONLY

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_C_PNVC904_1
(PENICILLIN ACYLASE)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 10
GLY A 257
GLN A 256
THR A 282
GLU A 281
LYS A 293
1.65A20.49
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)		3mj5 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 10
GLY B 257
GLN B 256
THR B 282
GLU B 281
LYS B 293
1.59A20.92
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)		3sci ACE2
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		5 / 10
TYR E 408
THR A  27
GLU A  23
LYS A  26
ASP A  30
1.75A21.80
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)		5x4r S PROTEIN
(MERS-CoV)		5 / 10
GLY A 262
GLN A 258
TYR A 184
THR A 289
LYS A 291
1.71A22.13
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)		5x59 S PROTEIN
(MERS-CoV)		5 / 10
GLY B 262
GLN B 258
TYR B 184
THR B 289
LYS B 291
1.74A13.44
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_A_PNVA903_1
(PENICILLIN ACYLASE)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 10
TYR C 352
ASN C 375
PRO C 513
ASN C 347
GLY C 512
1.63A14.96
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_A_PNVA903_1
(PENICILLIN ACYLASE)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 10
THR B 236
PRO B  79
ARG B 232
GLU B  93
GLY B  77
1.78A14.88
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)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 10
ASN C1101
ARG C1073
THR C 894
ASN C 896
GLU C 900
1.77A14.88
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)		6crz SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 10
GLY B  68
GLN B  32
TYR B  30
ASN B  29
ASN B  65
1.60A14.83
None
NAG  B1301 (-3.5A)
None
None
NAG  B1301 (-1.8A)
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)		6cs0 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 10
ARG B 395
ASN B 409
ASP B 392
GLY B 403
GLN B 396
1.71A14.83
None