POTENTIAL TARGETS FROM HUMAN (RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES)
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		 Interface HETATM RMSD Seq.
Identity (%)		 View 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.
4XE0_A_40LA1101_0
(PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT DELTA
ISOFORM)		1jxk ALPHA-AMYLASE,
SALIVARY
(Homo
sapiens)		5 / 12ILE A 196
VAL A  98
ASP A 167
ASN A 137
ILE A 179
None
None
CA  A 492 (-2.3A)
None
None
1.31A18.40
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.
4XE0_A_40LA1101_0
(PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT DELTA
ISOFORM)		1o6u SEC14-LIKE PROTEIN 2
(Homo
sapiens)		5 / 12ILE A 258
VAL A 237
ASP A  92
THR A 150
ILE A 152
None
1.44A18.67
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.
4XE0_A_40LA1101_0
(PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT DELTA
ISOFORM)		1o6u SEC14-LIKE PROTEIN 2
(Homo
sapiens)		5 / 12TYR A 241
VAL A 237
ASP A  92
THR A 150
ILE A 152
None
1.40A18.67
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.
4XE0_A_40LA1101_0
(PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT DELTA
ISOFORM)		3jbz SERINE/THREONINE-PRO
TEIN KINASE MTOR
(Homo
sapiens)		5 / 12ILE A2237
VAL A2240
THR A2245
MET A2345
ILE A2356
ADP  A2601 (-4.8A)
ADP  A2601 (-4.1A)
ADP  A2601 (-4.1A)
ADP  A2601 ( 4.1A)
ADP  A2601 (-4.0A)
1.07A22.33
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.
4XE0_A_40LA1101_0
(PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT DELTA
ISOFORM)		3jbz SERINE/THREONINE-PRO
TEIN KINASE MTOR
(Homo
sapiens)		6 / 12PRO A2169
TYR A2225
VAL A2240
ASP A2244
MET A2345
ILE A2356
None
ADP  A2601 ( 3.8A)
ADP  A2601 (-4.1A)
None
ADP  A2601 ( 4.1A)
ADP  A2601 (-4.0A)
0.90A22.33
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.
4XE0_A_40LA1101_0
(PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT DELTA
ISOFORM)		3jbz SERINE/THREONINE-PRO
TEIN KINASE MTOR
(Homo
sapiens)		6 / 12PRO A2169
TYR A2225
VAL A2240
THR A2245
MET A2345
ILE A2356
None
ADP  A2601 ( 3.8A)
ADP  A2601 (-4.1A)
ADP  A2601 (-4.1A)
ADP  A2601 ( 4.1A)
ADP  A2601 (-4.0A)
0.54A22.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XE0_A_40LA1101_0
(PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT DELTA
ISOFORM)		3nzu PHOSPHATIDYLINOSITOL
-4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT GAMMA
ISOFORM
(Homo
sapiens)		5 / 12ILE A 879
VAL A 882
THR A 887
MET A 953
ILE A 963
NZU  A   1 (-4.2A)
NZU  A   1 (-3.9A)
NZU  A   1 (-3.8A)
NZU  A   1 (-3.5A)
NZU  A   1 (-3.7A)
0.98A35.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XE0_A_40LA1101_0
(PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT DELTA
ISOFORM)		3nzu PHOSPHATIDYLINOSITOL
-4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT GAMMA
ISOFORM
(Homo
sapiens)		6 / 12MET A 804
PRO A 810
TYR A 867
VAL A 882
MET A 953
ILE A 963
NZU  A   1 (-4.7A)
None
NZU  A   1 (-3.5A)
NZU  A   1 (-3.9A)
NZU  A   1 (-3.5A)
NZU  A   1 (-3.7A)
1.29A35.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XE0_A_40LA1101_0
(PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT DELTA
ISOFORM)		3nzu PHOSPHATIDYLINOSITOL
-4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT GAMMA
ISOFORM
(Homo
sapiens)		5 / 12PRO A 810
ILE A 831
THR A 887
ILE A 963
ASP A 964
None
NZU  A   1 (-4.9A)
NZU  A   1 (-3.8A)
NZU  A   1 (-3.7A)
NZU  A   1 (-4.1A)
0.87A35.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XE0_A_40LA1101_0
(PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT DELTA
ISOFORM)		3nzu PHOSPHATIDYLINOSITOL
-4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT GAMMA
ISOFORM
(Homo
sapiens)		8 / 12PRO A 810
TRP A 812
ILE A 831
TYR A 867
VAL A 882
THR A 887
MET A 953
ILE A 963
None
None
NZU  A   1 (-4.9A)
NZU  A   1 (-3.5A)
NZU  A   1 (-3.9A)
NZU  A   1 (-3.8A)
NZU  A   1 (-3.5A)
NZU  A   1 (-3.7A)
0.46A35.86
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.
4XE0_A_40LA1101_0
(PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT DELTA
ISOFORM)		4mzv EPITHELIAL CELL
ADHESION MOLECULE
(Homo
sapiens)		5 / 12ILE A 146
ASP A 253
THR A 141
ASN A 120
ILE A 209
DMU  A 301 (-4.6A)
None
None
None
None
0.96A14.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XE0_A_40LA1101_0
(PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT DELTA
ISOFORM)		4ykn PHOSPHATIDYLINOSITOL
3-KINASE REGULATORY
SUBUNIT
ALPHA,PHOSPHATIDYLIN
OSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT ALPHA
ISOFORM FUSION
PROTEIN
(Homo
sapiens)		5 / 12ILE A1848
VAL A1851
THR A1856
MET A1922
ILE A1932
4EL  A2101 (-3.9A)
4EL  A2101 (-4.0A)
4EL  A2101 ( 4.3A)
4EL  A2101 (-3.7A)
4EL  A2101 (-3.8A)
1.19A32.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XE0_A_40LA1101_0
(PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT DELTA
ISOFORM)		4ykn PHOSPHATIDYLINOSITOL
3-KINASE REGULATORY
SUBUNIT
ALPHA,PHOSPHATIDYLIN
OSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT ALPHA
ISOFORM FUSION
PROTEIN
(Homo
sapiens)		7 / 12MET A1772
PRO A1778
TYR A1836
VAL A1851
THR A1856
MET A1922
ILE A1932
4EL  A2101 (-4.6A)
4EL  A2101 (-4.2A)
4EL  A2101 (-4.1A)
4EL  A2101 (-4.0A)
4EL  A2101 ( 4.3A)
4EL  A2101 (-3.7A)
4EL  A2101 (-3.8A)
1.06A32.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XE0_A_40LA1101_0
(PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT DELTA
ISOFORM)		4ykn PHOSPHATIDYLINOSITOL
3-KINASE REGULATORY
SUBUNIT
ALPHA,PHOSPHATIDYLIN
OSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT ALPHA
ISOFORM FUSION
PROTEIN
(Homo
sapiens)		8 / 12PRO A1778
TRP A1780
ILE A1800
TYR A1836
VAL A1851
THR A1856
MET A1922
ILE A1932
4EL  A2101 (-4.2A)
None
4EL  A2101 ( 4.4A)
4EL  A2101 (-4.1A)
4EL  A2101 (-4.0A)
4EL  A2101 ( 4.3A)
4EL  A2101 (-3.7A)
4EL  A2101 (-3.8A)
0.44A32.46
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.
4XE0_A_40LA1101_0
(PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT DELTA
ISOFORM)		5c4g PHOSPHATIDYLINOSITOL
4-KINASE BETA
(Homo
sapiens)		5 / 12PRO E 381
ILE E 547
TYR E 583
VAL E 598
ILE E 673
BQR  E 803 ( 4.7A)
BQR  E 803 ( 4.7A)
BQR  E 803 ( 3.0A)
BQR  E 803 (-3.8A)
BQR  E 803 ( 3.9A)
0.63A21.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XE0_A_40LA1101_0
(PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT DELTA
ISOFORM)		5m6u PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT DELTA
ISOFORM
(Homo
sapiens)		9 / 12MET A 752
PRO A 758
TRP A 760
TYR A 813
VAL A 828
ASP A 832
THR A 833
MET A 900
ILE A 910
7KA  A1101 ( 4.5A)
7KA  A1101 (-4.3A)
None
7KA  A1101 (-3.5A)
7KA  A1101 (-4.1A)
7KA  A1101 (-3.7A)
7KA  A1101 ( 4.4A)
7KA  A1101 (-3.6A)
7KA  A1101 (-3.7A)
0.36A94.47
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.
4XE0_A_40LA1101_0
(PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT DELTA
ISOFORM)		5xgj PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT ALPHA
ISOFORM
(Homo
sapiens)		5 / 12ILE A 848
VAL A 851
THR A 856
MET A 922
ILE A 932
84X  A1101 ( 4.3A)
84X  A1101 (-3.7A)
None
84X  A1101 ( 4.3A)
84X  A1101 ( 3.8A)
1.13Aundetectable
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.
4XE0_A_40LA1101_0
(PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT DELTA
ISOFORM)		5xgj PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT ALPHA
ISOFORM
(Homo
sapiens)		5 / 12PRO A 778
TRP A 780
ILE A 800
TYR A 836
ILE A 932
84X  A1101 (-4.3A)
None
None
84X  A1101 (-4.4A)
84X  A1101 ( 3.8A)
0.81Aundetectable
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.
4XE0_A_40LA1101_0
(PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT DELTA
ISOFORM)		5xgj PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT ALPHA
ISOFORM
(Homo
sapiens)		7 / 12TRP A 780
ILE A 800
TYR A 836
VAL A 851
THR A 856
MET A 922
ILE A 932
None
None
84X  A1101 (-4.4A)
84X  A1101 (-3.7A)
None
84X  A1101 ( 4.3A)
84X  A1101 ( 3.8A)
0.63Aundetectable
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.
4XE0_A_40LA1101_0
(PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT DELTA
ISOFORM)		5y3r DNA-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
(Homo
sapiens)		5 / 12PRO C3735
ASP C3814
THR C3811
MET C3929
ASP C3941
None
1.42A12.11
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.
4XE0_A_40LA1101_0
(PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT DELTA
ISOFORM)		5y3r DNA-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
(Homo
sapiens)		5 / 12PRO C3735
ILE C3803
THR C3809
ILE C3940
ASP C3941
None
1.41A12.11