Ligand ID: PA1


Drugbank ID:
DB01296
(Glucosamine)


Indication:
Glucosamine is usually used in the treatment of osteoarthritis, although its efficacy is still in question.

Get human targets for PA1 in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'PA1' 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.
5W7B_B_PA1B204_1
(ACYLOXYACYL
HYDROLASE SMALL
SUBUNIT
ACYLOXYACYL
HYDROLASE LARGE
SUBUNIT)		6m2n 3CL PROTEASE
(SARS-CoV-2)		3 / 3
GLY B 275
ASN B 274
ARG B 279
1.34A20.19
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.
5W7B_B_PA1B204_1
(ACYLOXYACYL
HYDROLASE SMALL
SUBUNIT
ACYLOXYACYL
HYDROLASE LARGE
SUBUNIT)		6m2n 3CL PROTEASE
(SARS-CoV-2)		3 / 3
GLY D 109
ASN D 203
ARG D 131
1.22A20.19
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.
5W7B_B_PA1B204_1
(ACYLOXYACYL
HYDROLASE SMALL
SUBUNIT
ACYLOXYACYL
HYDROLASE LARGE
SUBUNIT)		6m2n 3CL PROTEASE
(SARS-CoV-2)		3 / 3
GLY A 275
ASN A 274
ARG A 279
1.41A20.19
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.
5W7B_A_PA1A206_1
(ACYLOXYACYL
HYDROLASE SMALL
SUBUNIT
ACYLOXYACYL
HYDROLASE LARGE
SUBUNIT)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 4
TYR C1047
GLY A 908
ASN A 907
ARG C1107
1.77A7.34
15.89
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.
5W7B_A_PA1A206_1
(ACYLOXYACYL
HYDROLASE SMALL
SUBUNIT
ACYLOXYACYL
HYDROLASE LARGE
SUBUNIT)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 4
TYR B1047
GLY C 908
ASN C 907
ARG B1107
1.68A7.34
15.65
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.
5W7B_B_PA1B204_1
(ACYLOXYACYL
HYDROLASE SMALL
SUBUNIT
ACYLOXYACYL
HYDROLASE LARGE
SUBUNIT)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		3 / 3
GLY A6962
ASN A7008
ARG A7053
1.28A
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.
5W7B_B_PA1B204_1
(ACYLOXYACYL
HYDROLASE SMALL
SUBUNIT
ACYLOXYACYL
HYDROLASE LARGE
SUBUNIT)		6w75 NSP16
(SARS-CoV-2)		3 / 3
GLY A6962
ASN A7008
ARG A7053
1.40A16.55
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.
6BPL_B_PA1B605_1
(LIPID A EXPORT
ATP-BINDING/PERMEASE
PROTEIN MSBA)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		3 / 3
ARG C 277
ARG C 259
ARG D 319
1.41A10.33
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.
6BPL_B_PA1B605_1
(LIPID A EXPORT
ATP-BINDING/PERMEASE
PROTEIN MSBA)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		3 / 3
ARG E 277
ARG E 259
ARG F 319
1.40A10.33
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.
6BPL_B_PA1B605_1
(LIPID A EXPORT
ATP-BINDING/PERMEASE
PROTEIN MSBA)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		3 / 3
ARG D 277
ARG D 259
ARG C 319
1.34A10.33
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.
5W7B_B_PA1B204_1
(ACYLOXYACYL
HYDROLASE SMALL
SUBUNIT
ACYLOXYACYL
HYDROLASE LARGE
SUBUNIT)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		3 / 3
GLY A6962
ASN A7008
ARG A7053
1.36A
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.
5W7B_B_PA1B204_1
(ACYLOXYACYL
HYDROLASE SMALL
SUBUNIT
ACYLOXYACYL
HYDROLASE LARGE
SUBUNIT)		6wkq NSP16
(SARS-CoV-2)		3 / 3
GLY A6962
ASN A7008
ARG A7053
1.39A
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.
5W7B_B_PA1B204_1
(ACYLOXYACYL
HYDROLASE SMALL
SUBUNIT
ACYLOXYACYL
HYDROLASE LARGE
SUBUNIT)		6wkq NSP16
(SARS-CoV-2)		3 / 3
GLY C6890
ASN A7096
ARG C6884
1.11A
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.
5W7B_B_PA1B204_1
(ACYLOXYACYL
HYDROLASE SMALL
SUBUNIT
ACYLOXYACYL
HYDROLASE LARGE
SUBUNIT)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		3 / 3
GLY A 275
ASN A 274
ARG A 279
1.42A
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.
5W7B_B_PA1B204_1
(ACYLOXYACYL
HYDROLASE SMALL
SUBUNIT
ACYLOXYACYL
HYDROLASE LARGE
SUBUNIT)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		3 / 3
GLY A6962
ASN A7008
ARG A7053
1.36A
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.
5W7B_B_PA1B204_1
(ACYLOXYACYL
HYDROLASE SMALL
SUBUNIT
ACYLOXYACYL
HYDROLASE LARGE
SUBUNIT)		6y2g REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		3 / 3
GLY B 109
ASN B 203
ARG B 131
1.15A20.19
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.
5W7B_A_PA1A206_1
(ACYLOXYACYL
HYDROLASE SMALL
SUBUNIT
ACYLOXYACYL
HYDROLASE LARGE
SUBUNIT)		6yla LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 4
TYR L  92
GLY L  63
ASN A 370
ARG L  67
1.70A22.27
18.88
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.
5W7B_B_PA1B204_1
(ACYLOXYACYL
HYDROLASE SMALL
SUBUNIT
ACYLOXYACYL
HYDROLASE LARGE
SUBUNIT)		7bqy MAIN PROTEASE
(SARS-CoV-2)		3 / 3
GLY A 275
ASN A 274
ARG A 279
1.34A
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.
5W7B_B_PA1B204_1
(ACYLOXYACYL
HYDROLASE SMALL
SUBUNIT
ACYLOXYACYL
HYDROLASE LARGE
SUBUNIT)		7btf NSP12
NSP8
(SARS-CoV-2)		3 / 3
GLY A 327
ASN B 118
ARG A 349
1.22A
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.
5W7B_B_PA1B204_1
(ACYLOXYACYL
HYDROLASE SMALL
SUBUNIT
ACYLOXYACYL
HYDROLASE LARGE
SUBUNIT)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		3 / 3
GLY A  79
ASN A  63
ARG A  76
1.29A
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.
5W7B_B_PA1B204_1
(ACYLOXYACYL
HYDROLASE SMALL
SUBUNIT
ACYLOXYACYL
HYDROLASE LARGE
SUBUNIT)		7bv1 NSP12
(SARS-CoV-2)		3 / 3
GLY A 345
ASN A 356
ARG A 331
0.95A
None