Ligand ID: GA2


Drugbank ID:
DB01004
(Ganciclovir)


Indication:
For induction and maintenance in the treatment of cytomegalovirus (CMV) retinitis in immunocompromised patients, including patients with acquired immunodeficiency syndrome (AIDS). Also used in the treatment of severe cytomegalovirus (CMV) disease, including CMV pneumonia, CMV gastrointestinal disease, and disseminated CMV infections, in immunocompromised patients.

Get human targets for GA2 in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'GA2'

Click here for results that match SARS-Cov-2 / COVID-19 structures only
Click here for results that match SARS-related structures only


1) User may click on the DrReposER ID (the second 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 through 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.
4DA6_A_GA2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		3bgf F26G19 FAB
(Mus
musculus)		5 / 9
SER H 162
GLY H 164
VAL H 183
SER H 163
VAL H 185
1.79A22.35
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.
1KI2_A_GA2A1_1
(THYMIDINE KINASE)		3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 11
HIS A 505
GLU A 457
ARG A 514
TYR A 515
ARG A 460
1.77A20.10
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.
1KI2_B_GA2B2_1
(THYMIDINE KINASE)		3d0h ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
HIS A 505
TRP A 203
TYR A 515
TYR A 510
ARG A 460
1.80A20.10
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.
4DA6_A_GA2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		3mj5 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 9
GLY A 202
VAL A 203
GLU B 162
SER B  79
ASP B  77
1.33A23.15
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.
1KI2_A_GA2A1_1
(THYMIDINE KINASE)		3scj ACE2
(Homo
sapiens)		5 / 11
HIS A 505
GLU A 457
ARG A 514
TYR A 515
ARG A 460
1.79A19.01
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.
1KI2_A_GA2A1_1
(THYMIDINE KINASE)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 11
ILE A 226
GLN A 112
ARG C 444
ARG C 453
ARG C 449
1.74A13.83
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.
4DA6_A_GA2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 9
SER B 303
GLY B 580
VAL B 581
GLU B 285
ASP A 719
1.62A13.25
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.
4DA6_A_GA2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		6m71 NSP12
(SARS-CoV-2)		5 / 9
MET A 666
SER A 343
GLY A 345
VAL A 535
VAL A 354
1.58A13.84
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.
4DA6_A_GA2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		6nur NSP12
(SARSr)		5 / 9
MET A 666
SER A 343
GLY A 345
VAL A 535
VAL A 354
1.50A14.50
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.
4DA6_A_GA2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		6nus NSP12
(SARSr-CoV)		5 / 9
MET A 666
SER A 343
GLY A 345
VAL A 535
VAL A 354
1.30A14.50
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.
4DA6_A_GA2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 9
SER A  31
GLY A 268
VAL A 267
GLU A 191
SER A  60
1.69A11.94
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.
4DA6_A_GA2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		7btf NSP12
(SARS-CoV-2)		5 / 9
MET A 666
SER A 343
GLY A 345
VAL A 535
VAL A 354
1.57A13.84
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.
4DA6_A_GA2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		7bv1 NSP12
(SARS-CoV-2)		5 / 9
MET A 666
SER A 343
GLY A 345
VAL A 535
VAL A 354
1.57A13.93
None