SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'PGA'


List of Similar Pattern of Amino Acids


Hit pattern: 3D amino acid arrangements similar to known drug binding site

Query pattern: Residues from known binding site for annotated drug that match the hit pattern


(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID
Hit
Macromolecule
Res.
Matches
Interface HETATM RMSD Dali
Z-score
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.
1H7X_A_URFA1033_1
(DIHYDROPYRIMIDINE
DEHYDROGENASE)
5y2w RUBISCO OPERON
TRANSCRIPTIONAL
REGULATOR

(Synechocystis
sp.
PCC
6803)
4 / 6 ASN A 225
ASN A 164
SER A 148
THR A 201
None
PGA  A 401 (-3.1A)
PGA  A 401 (-3.5A)
PGA  A 401 (-3.6A)
1.14A 1h7xA-5y2wA:
undetectable
1h7xA-5y2wA:
5.76
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.
1H7X_B_URFB1033_1
(DIHYDROPYRIMIDINE
DEHYDROGENASE)
5y2w RUBISCO OPERON
TRANSCRIPTIONAL
REGULATOR

(Synechocystis
sp.
PCC
6803)
4 / 6 ASN A 225
ASN A 164
SER A 148
THR A 201
None
PGA  A 401 (-3.1A)
PGA  A 401 (-3.5A)
PGA  A 401 (-3.6A)
1.12A 1h7xB-5y2wA:
undetectable
1h7xB-5y2wA:
5.76
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.
1H7X_C_URFC1033_1
(DIHYDROPYRIMIDINE
DEHYDROGENASE)
5y2w RUBISCO OPERON
TRANSCRIPTIONAL
REGULATOR

(Synechocystis
sp.
PCC
6803)
4 / 6 ASN A 225
ASN A 164
SER A 148
THR A 201
None
PGA  A 401 (-3.1A)
PGA  A 401 (-3.5A)
PGA  A 401 (-3.6A)
1.14A 1h7xC-5y2wA:
undetectable
1h7xC-5y2wA:
5.76
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.
1H7X_D_URFD1033_1
(DIHYDROPYRIMIDINE
DEHYDROGENASE)
5y2w RUBISCO OPERON
TRANSCRIPTIONAL
REGULATOR

(Synechocystis
sp.
PCC
6803)
4 / 6 ASN A 225
ASN A 164
SER A 148
THR A 201
None
PGA  A 401 (-3.1A)
PGA  A 401 (-3.5A)
PGA  A 401 (-3.6A)
1.13A 1h7xD-5y2wA:
undetectable
1h7xD-5y2wA:
5.76
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.
1LIK_A_ADNA799_1
(ADENOSINE KINASE)
1aw1 TRIOSEPHOSPHATE
ISOMERASE

(Moritella
marina)
5 / 10 GLY A 212
VAL A 215
ALA A 185
ASN A 219
ILE A 229
PGA  A 290 ( 4.6A)
None
None
None
None
0.98A 1likA-1aw1A:
undetectable
1likA-1aw1A:
23.10
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.
1P7L_C_SAMC685_1
(S-ADENOSYLMETHIONINE
SYNTHETASE)
1a3x PYRUVATE KINASE
(Saccharomyces
cerevisiae)
4 / 8 ALA A 263
GLU A 242
ASP A 220
ILE A 237
PGA  A1005 (-2.1A)
MN  A1001 ( 2.9A)
None
None
0.71A 1p7lD-1a3xA:
undetectable
1p7lD-1a3xA:
23.68
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.
1P7L_C_SAMC885_0
(S-ADENOSYLMETHIONINE
SYNTHETASE)
1a3x PYRUVATE KINASE
(Saccharomyces
cerevisiae)
4 / 8 ALA A 263
GLU A 242
ASP A 220
ILE A 237
PGA  A1005 (-2.1A)
MN  A1001 ( 2.9A)
None
None
0.72A 1p7lC-1a3xA:
undetectable
1p7lC-1a3xA:
23.68
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.
1PG2_A_ADNA552_1
(METHIONYL-TRNA
SYNTHETASE)
2btm PROTEIN
(TRIOSEPHOSPHATE
ISOMERASE)

(Geobacillus
stearothermophil
us)
5 / 11 ALA A 164
GLY A 233
GLU A 166
ILE A 123
HIS A  94
None
PGA  A 301 (-3.2A)
PGA  A 301 (-2.9A)
None
PGA  A 301 (-3.8A)
1.18A 1pg2A-2btmA:
undetectable
1pg2A-2btmA:
18.69
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.
1PG2_A_ADNA552_1
(METHIONYL-TRNA
SYNTHETASE)
5eyw TRIOSEPHOSPHATE
ISOMERASE

(Litopenaeus
vannamei)
5 / 11 ALA A 164
GLY A 233
GLU A 166
ILE A 125
HIS A  96
None
PGA  A 301 (-3.3A)
PGA  A 301 (-2.6A)
None
PGA  A 301 (-4.2A)
1.12A 1pg2A-5eywA:
undetectable
1pg2A-5eywA:
19.14
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.
1RG9_B_SAMB485_0
(S-ADENOSYLMETHIONINE
SYNTHETASE)
1a3x PYRUVATE KINASE
(Saccharomyces
cerevisiae)
4 / 8 ALA A 263
GLU A 242
ASP A 220
ILE A 237
PGA  A1005 (-2.1A)
MN  A1001 ( 2.9A)
None
None
0.72A 1rg9A-1a3xA:
undetectable
1rg9A-1a3xA:
23.68
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.
1RG9_C_SAMC585_1
(S-ADENOSYLMETHIONINE
SYNTHETASE)
1a3x PYRUVATE KINASE
(Saccharomyces
cerevisiae)
4 / 8 ALA A 263
GLU A 242
ASP A 220
ILE A 237
PGA  A1005 (-2.1A)
MN  A1001 ( 2.9A)
None
None
0.72A 1rg9D-1a3xA:
undetectable
1rg9D-1a3xA:
23.68
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.
1RG9_C_SAMC685_0
(S-ADENOSYLMETHIONINE
SYNTHETASE)
1a3x PYRUVATE KINASE
(Saccharomyces
cerevisiae)
4 / 8 ALA A 263
GLU A 242
ASP A 220
ILE A 237
PGA  A1005 (-2.1A)
MN  A1001 ( 2.9A)
None
None
0.73A 1rg9C-1a3xA:
undetectable
1rg9C-1a3xA:
23.68
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.
1RXC_C_URFC2081_1
(URIDINE
PHOSPHORYLASE)
1aw1 TRIOSEPHOSPHATE
ISOMERASE

(Moritella
marina)
4 / 7 GLY A 212
GLN A 210
MET A   7
ILE A 174
PGA  A 290 ( 4.6A)
None
None
PGA  A 290 (-4.0A)
0.95A 1rxcC-1aw1A:
undetectable
1rxcC-1aw1A:
22.18
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.
1RXC_D_URFD2021_1
(URIDINE
PHOSPHORYLASE)
1aw1 TRIOSEPHOSPHATE
ISOMERASE

(Moritella
marina)
4 / 7 GLY A 212
GLN A 210
MET A   7
ILE A 174
PGA  A 290 ( 4.6A)
None
None
PGA  A 290 (-4.0A)
0.93A 1rxcD-1aw1A:
undetectable
1rxcD-1aw1A:
22.18
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.
1RXC_I_URFI2041_1
(URIDINE
PHOSPHORYLASE)
1aw1 TRIOSEPHOSPHATE
ISOMERASE

(Moritella
marina)
4 / 8 GLY A 212
GLN A 210
MET A   7
ILE A 174
PGA  A 290 ( 4.6A)
None
None
PGA  A 290 (-4.0A)
0.96A 1rxcI-1aw1A:
undetectable
1rxcI-1aw1A:
22.18
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.
1SBR_B_VIBB503_1
(YKOF)
5y2w RUBISCO OPERON
TRANSCRIPTIONAL
REGULATOR

(Synechocystis
sp.
PCC
6803)
4 / 7 SER A 224
ILE A 169
THR A 102
THR A 101
None
None
PGA  A 401 (-2.7A)
PGA  A 401 (-2.8A)
0.97A 1sbrB-5y2wA:
undetectable
1sbrB-5y2wA:
17.09
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.
1XR2_B_C2FB1201_0
(5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE)
5eyw TRIOSEPHOSPHATE
ISOMERASE

(Litopenaeus
vannamei)
4 / 8 LYS A  14
THR A 176
SER A  97
GLU A 133
PGA  A 301 (-2.7A)
None
None
None
1.30A 1xr2B-5eywA:
3.6
1xr2B-5eywA:
15.65
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.
2BR4_B_SAMB301_1
(CEPHALOSPORIN
HYDROXYLASE CMCI)
1te2 2-DEOXYGLUCOSE-6-P
PHOSPHATASE

(Escherichia
coli)
4 / 4 LEU A 113
SER A 147
ASP A  15
ASP A  20
None
PGA  A 711 ( 4.8A)
PGA  A 711 ( 3.6A)
None
1.47A 2br4B-1te2A:
3.3
2br4B-1te2A:
25.87
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.
2FT9_A_CHDA130_0
(FATTY ACID-BINDING
PROTEIN 2, LIVER)
2btm PROTEIN
(TRIOSEPHOSPHATE
ISOMERASE)

(Geobacillus
stearothermophil
us)
5 / 12 VAL A  77
ASN A   8
ILE A  91
VAL A  38
LEU A  46
None
PGA  A 301 (-4.6A)
None
None
None
1.28A 2ft9A-2btmA:
undetectable
2ft9A-2btmA:
22.27
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.
2NNH_B_9CRB502_1
(CYTOCHROME P450 2C8)
5eyw TRIOSEPHOSPHATE
ISOMERASE

(Litopenaeus
vannamei)
5 / 10 ILE A  62
ILE A  60
ASN A  12
VAL A   9
ILE A  93
None
None
PGA  A 301 (-4.1A)
None
None
1.18A 2nnhB-5eywA:
undetectable
2nnhB-5eywA:
20.84
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.
2X1L_A_ADNA601_1
(METHIONYL-TRNA
SYNTHETASE)
1amk TRIOSE PHOSPHATE
ISOMERASE

(Leishmania
mexicana)
5 / 11 ALA A 165
GLY A 234
GLU A 167
ILE A 124
HIS A  95
None
PGA  A 600 (-3.3A)
PGA  A 600 (-2.4A)
None
PGA  A 600 (-4.0A)
1.09A 2x1lA-1amkA:
undetectable
2x1lA-1amkA:
18.04
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.
2X1L_A_ADNA601_1
(METHIONYL-TRNA
SYNTHETASE)
1aw1 TRIOSEPHOSPHATE
ISOMERASE

(Moritella
marina)
5 / 11 ALA A 167
ALA A 232
GLY A 235
GLU A 169
HIS A  97
None
None
PGA  A 290 (-3.4A)
PGA  A 290 (-2.8A)
PGA  A 290 (-4.0A)
1.17A 2x1lA-1aw1A:
undetectable
2x1lA-1aw1A:
19.61
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.
2X1L_A_ADNA601_1
(METHIONYL-TRNA
SYNTHETASE)
2btm PROTEIN
(TRIOSEPHOSPHATE
ISOMERASE)

(Geobacillus
stearothermophil
us)
6 / 11 ALA A 164
ALA A 230
GLY A 233
GLU A 166
ILE A 123
HIS A  94
None
None
PGA  A 301 (-3.2A)
PGA  A 301 (-2.9A)
None
PGA  A 301 (-3.8A)
1.07A 2x1lA-2btmA:
undetectable
2x1lA-2btmA:
18.61
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.
2X1L_A_ADNA601_1
(METHIONYL-TRNA
SYNTHETASE)
5eyw TRIOSEPHOSPHATE
ISOMERASE

(Litopenaeus
vannamei)
5 / 11 ALA A 164
GLY A 233
GLU A 166
ILE A 125
HIS A  96
None
PGA  A 301 (-3.3A)
PGA  A 301 (-2.6A)
None
PGA  A 301 (-4.2A)
1.04A 2x1lA-5eywA:
2.5
2x1lA-5eywA:
21.00
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.
2X1L_B_ADNB601_1
(METHIONYL-TRNA
SYNTHETASE)
2btm PROTEIN
(TRIOSEPHOSPHATE
ISOMERASE)

(Geobacillus
stearothermophil
us)
6 / 12 ALA A 164
ALA A 230
GLY A 233
GLU A 166
ILE A 123
HIS A  94
None
None
PGA  A 301 (-3.2A)
PGA  A 301 (-2.9A)
None
PGA  A 301 (-3.8A)
1.05A 2x1lB-2btmA:
undetectable
2x1lB-2btmA:
18.61
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.
2X1L_B_ADNB601_1
(METHIONYL-TRNA
SYNTHETASE)
5eyw TRIOSEPHOSPHATE
ISOMERASE

(Litopenaeus
vannamei)
5 / 12 ALA A 164
GLY A 233
GLU A 166
ILE A 125
HIS A  96
None
PGA  A 301 (-3.3A)
PGA  A 301 (-2.6A)
None
PGA  A 301 (-4.2A)
1.03A 2x1lB-5eywA:
undetectable
2x1lB-5eywA:
21.00
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.
2X1L_C_ADNC601_1
(METHIONYL-TRNA
SYNTHETASE)
1amk TRIOSE PHOSPHATE
ISOMERASE

(Leishmania
mexicana)
5 / 11 ALA A 165
GLY A 234
GLU A 167
ILE A 124
HIS A  95
None
PGA  A 600 (-3.3A)
PGA  A 600 (-2.4A)
None
PGA  A 600 (-4.0A)
1.12A 2x1lC-1amkA:
undetectable
2x1lC-1amkA:
18.04
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.
2X1L_C_ADNC601_1
(METHIONYL-TRNA
SYNTHETASE)
2btm PROTEIN
(TRIOSEPHOSPHATE
ISOMERASE)

(Geobacillus
stearothermophil
us)
6 / 11 ALA A 164
ALA A 230
GLY A 233
GLU A 166
ILE A 123
HIS A  94
None
None
PGA  A 301 (-3.2A)
PGA  A 301 (-2.9A)
None
PGA  A 301 (-3.8A)
1.06A 2x1lC-2btmA:
undetectable
2x1lC-2btmA:
18.61
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.
2X1L_C_ADNC601_1
(METHIONYL-TRNA
SYNTHETASE)
5eyw TRIOSEPHOSPHATE
ISOMERASE

(Litopenaeus
vannamei)
5 / 11 ALA A 164
GLY A 233
GLU A 166
ILE A 125
HIS A  96
None
PGA  A 301 (-3.3A)
PGA  A 301 (-2.6A)
None
PGA  A 301 (-4.2A)
1.07A 2x1lC-5eywA:
undetectable
2x1lC-5eywA:
21.00
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.
3FL9_B_TOPB200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))
5y2w RUBISCO OPERON
TRANSCRIPTIONAL
REGULATOR

(Synechocystis
sp.
PCC
6803)
6 / 12 ALA A 204
VAL A 240
ILE A 184
LEU A 187
PHE A 209
THR A 201
None
None
None
None
None
PGA  A 401 (-3.6A)
1.36A 3fl9B-5y2wA:
undetectable
3fl9B-5y2wA:
22.09
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.
3FL9_C_TOPC200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))
5y2w RUBISCO OPERON
TRANSCRIPTIONAL
REGULATOR

(Synechocystis
sp.
PCC
6803)
6 / 11 ALA A 204
VAL A 240
ILE A 184
LEU A 187
PHE A 209
THR A 201
None
None
None
None
None
PGA  A 401 (-3.6A)
1.42A 3fl9C-5y2wA:
undetectable
3fl9C-5y2wA:
22.09
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.
3FL9_E_TOPE200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))
5y2w RUBISCO OPERON
TRANSCRIPTIONAL
REGULATOR

(Synechocystis
sp.
PCC
6803)
6 / 10 ALA A 204
VAL A 240
ILE A 184
LEU A 187
PHE A 209
THR A 201
None
None
None
None
None
PGA  A 401 (-3.6A)
1.31A 3fl9E-5y2wA:
undetectable
3fl9E-5y2wA:
22.09
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.
3FL9_G_TOPG200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))
5y2w RUBISCO OPERON
TRANSCRIPTIONAL
REGULATOR

(Synechocystis
sp.
PCC
6803)
6 / 12 ALA A 204
VAL A 240
ILE A 184
LEU A 187
PHE A 209
THR A 201
None
None
None
None
None
PGA  A 401 (-3.6A)
1.45A 3fl9G-5y2wA:
undetectable
3fl9G-5y2wA:
22.09
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.
3FL9_H_TOPH200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))
5y2w RUBISCO OPERON
TRANSCRIPTIONAL
REGULATOR

(Synechocystis
sp.
PCC
6803)
5 / 9 ALA A 204
VAL A 240
ILE A 184
PHE A 209
THR A 201
None
None
None
None
PGA  A 401 (-3.6A)
1.19A 3fl9H-5y2wA:
undetectable
3fl9H-5y2wA:
22.09
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.
3JW5_A_TOPA208_1
(DIHYDROFOLATE
REDUCTASE)
5y2w RUBISCO OPERON
TRANSCRIPTIONAL
REGULATOR

(Synechocystis
sp.
PCC
6803)
5 / 11 ALA A 204
VAL A 240
ILE A 184
PHE A 209
THR A 201
None
None
None
None
PGA  A 401 (-3.6A)
1.22A 3jw5A-5y2wA:
undetectable
3jw5A-5y2wA:
23.81
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.
3KO0_A_TFPA201_1
(PROTEIN S100-A4)
2btm PROTEIN
(TRIOSEPHOSPHATE
ISOMERASE)

(Geobacillus
stearothermophil
us)
5 / 9 GLY A 211
ILE A  91
CYH A  40
PHE A  21
GLY A 234
PGA  A 301 (-3.5A)
None
None
None
PGA  A 301 (-3.8A)
1.35A 3ko0A-2btmA:
undetectable
3ko0C-2btmA:
undetectable
3ko0A-2btmA:
16.05
3ko0C-2btmA:
16.05
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.
3KO0_R_TFPR201_1
(PROTEIN S100-A4)
2btm PROTEIN
(TRIOSEPHOSPHATE
ISOMERASE)

(Geobacillus
stearothermophil
us)
5 / 10 GLY A 211
ILE A  91
CYH A  40
PHE A  21
GLY A 234
PGA  A 301 (-3.5A)
None
None
None
PGA  A 301 (-3.8A)
1.29A 3ko0R-2btmA:
0.0
3ko0T-2btmA:
undetectable
3ko0R-2btmA:
16.05
3ko0T-2btmA:
16.05
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.
3KVV_B_URFB254_1
(URIDINE
PHOSPHORYLASE)
1aw1 TRIOSEPHOSPHATE
ISOMERASE

(Moritella
marina)
4 / 6 GLY A 212
GLN A 210
MET A   7
ILE A 174
PGA  A 290 ( 4.6A)
None
None
PGA  A 290 (-4.0A)
1.00A 3kvvB-1aw1A:
undetectable
3kvvB-1aw1A:
22.18
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.
3KVV_C_URFC254_1
(URIDINE
PHOSPHORYLASE)
1aw1 TRIOSEPHOSPHATE
ISOMERASE

(Moritella
marina)
4 / 6 GLY A 212
GLN A 210
MET A   7
ILE A 174
PGA  A 290 ( 4.6A)
None
None
PGA  A 290 (-4.0A)
1.00A 3kvvC-1aw1A:
undetectable
3kvvC-1aw1A:
22.18
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.
3KVV_D_URFD254_1
(URIDINE
PHOSPHORYLASE)
1aw1 TRIOSEPHOSPHATE
ISOMERASE

(Moritella
marina)
4 / 6 GLY A 212
GLN A 210
MET A   7
ILE A 174
PGA  A 290 ( 4.6A)
None
None
PGA  A 290 (-4.0A)
0.98A 3kvvD-1aw1A:
undetectable
3kvvD-1aw1A:
22.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PP7_B_SVRB499_1
(PYRUVATE KINASE)
1a3x PYRUVATE KINASE
(Saccharomyces
cerevisiae)
8 / 10 THR A  26
PRO A  29
ARG A  49
ASN A  51
HIS A  54
GLY A  55
GLY A 333
ALA A 336
None
None
PGA  A1005 (-3.4A)
K  A1002 (-3.6A)
None
None
None
None
0.44A 3pp7B-1a3xA:
59.8
3pp7B-1a3xA:
48.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PP7_B_SVRB499_1
(PYRUVATE KINASE)
2vgi PYRUVATE KINASE
ISOZYMES R/L

(Homo
sapiens)
7 / 10 THR A  93
ARG A 116
ASN A 118
HIS A 121
GLY A 406
ALA A 409
LYS A 410
None
PGA  A1575 (-3.7A)
K  A1576 (-4.0A)
None
None
None
None
0.77A 3pp7B-2vgiA:
58.5
3pp7B-2vgiA:
47.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PP7_B_SVRB499_1
(PYRUVATE KINASE)
2vgi PYRUVATE KINASE
ISOZYMES R/L

(Homo
sapiens)
9 / 10 THR A  93
PRO A  96
ARG A 116
ASN A 118
HIS A 121
GLY A 122
TYR A 126
GLY A 406
ALA A 409
None
None
PGA  A1575 (-3.7A)
K  A1576 (-4.0A)
None
None
None
None
None
0.54A 3pp7B-2vgiA:
58.5
3pp7B-2vgiA:
47.03
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.
3U9H_A_NCAA1163_0
(TANKYRASE-2)
2btm PROTEIN
(TRIOSEPHOSPHATE
ISOMERASE)

(Geobacillus
stearothermophil
us)
4 / 8 GLY A 229
TYR A 209
ALA A 164
GLU A 166
None
None
None
PGA  A 301 (-2.9A)
0.81A 3u9hA-2btmA:
undetectable
3u9hA-2btmA:
22.45
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.
3U9H_B_NCAB1164_0
(TANKYRASE-2)
2btm PROTEIN
(TRIOSEPHOSPHATE
ISOMERASE)

(Geobacillus
stearothermophil
us)
4 / 8 GLY A 229
TYR A 209
ALA A 164
GLU A 166
None
None
None
PGA  A 301 (-2.9A)
0.80A 3u9hB-2btmA:
undetectable
3u9hB-2btmA:
22.45
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.
4A81_A_DXCA1161_0
(MAJOR POLLEN
ALLERGEN BET V 1-A)
1te2 2-DEOXYGLUCOSE-6-P
PHOSPHATASE

(Escherichia
coli)
5 / 12 GLY A  51
ILE A  54
VAL A  76
ASP A  55
MET A 121
PGA  A 711 (-3.3A)
None
None
None
None
1.07A 4a81A-1te2A:
undetectable
4a81A-1te2A:
20.85
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.
4G24_A_ACAA1004_1
(PENTATRICOPEPTIDE
REPEAT-CONTAINING
PROTEIN AT2G32230,
MITOCHONDRIAL)
1te2 2-DEOXYGLUCOSE-6-P
PHOSPHATASE

(Escherichia
coli)
4 / 6 ALA A 158
LEU A 155
VAL A 153
GLU A 172
None
None
None
PGA  A 711 ( 4.4A)
0.91A 4g24A-1te2A:
2.3
4g24A-1te2A:
21.69
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.
4K50_B_ACTB701_0
(RNA (33-MER)
RNA POLYMERASE
3D-POL)
5gzp TRIOSEPHOSPHATE
ISOMERASE

(Plasmodium
falciparum)
3 / 3 HIS A  95
GLY A 210
ILE A 170
PGA  A 301 (-4.0A)
PGA  A 301 (-3.5A)
PGA  A 301 (-4.6A)
0.59A 4k50A-5gzpA:
0.9
4k50A-5gzpA:
20.26
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.
4K50_J_ACTJ701_0
(RNA (33-MER)
RNA POLYMERASE
3D-POL)
5gzp TRIOSEPHOSPHATE
ISOMERASE

(Plasmodium
falciparum)
3 / 3 HIS A  95
GLY A 210
ILE A 170
PGA  A 301 (-4.0A)
PGA  A 301 (-3.5A)
PGA  A 301 (-4.6A)
0.60A 4k50I-5gzpA:
undetectable
4k50I-5gzpA:
20.26
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.
4KTT_A_SAMA405_1
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)
1a3x PYRUVATE KINASE
(Saccharomyces
cerevisiae)
4 / 8 ALA A 263
GLU A 242
ASP A 220
ILE A 237
PGA  A1005 (-2.1A)
MN  A1001 ( 2.9A)
None
None
0.74A 4kttB-1a3xA:
0.0
4kttB-1a3xA:
21.76
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.
4KTT_C_SAMC404_1
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)
1a3x PYRUVATE KINASE
(Saccharomyces
cerevisiae)
4 / 8 ALA A 263
GLU A 242
ASP A 220
ILE A 237
PGA  A1005 (-2.1A)
MN  A1001 ( 2.9A)
None
None
0.78A 4kttD-1a3xA:
undetectable
4kttD-1a3xA:
21.76
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.
4NDN_A_SAMA407_1
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)
1a3x PYRUVATE KINASE
(Saccharomyces
cerevisiae)
4 / 8 ALA A 263
GLU A 242
ASP A 220
ILE A 237
PGA  A1005 (-2.1A)
MN  A1001 ( 2.9A)
None
None
0.70A 4ndnB-1a3xA:
undetectable
4ndnB-1a3xA:
21.76
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.
4NKV_D_AERD601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)
5eyw TRIOSEPHOSPHATE
ISOMERASE

(Litopenaeus
vannamei)
4 / 5 GLY A 229
ASP A 228
GLU A 166
VAL A 144
None
None
PGA  A 301 (-2.6A)
None
1.16A 4nkvD-5eywA:
undetectable
4nkvD-5eywA:
21.26
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.
4NTX_A_AMRA509_1
(ACID-SENSING ION
CHANNEL 1
BASIC PHOSPHOLIPASE
A2 HOMOLOG TX-BETA)
1a3x PYRUVATE KINASE
(Saccharomyces
cerevisiae)
4 / 6 ASP A 266
GLU A  89
ASN A  51
ARG A  49
MN  A1001 ( 2.8A)
None
K  A1002 (-3.6A)
PGA  A1005 (-3.4A)
1.10A 4ntxA-1a3xA:
0.0
4ntxC-1a3xA:
0.0
4ntxA-1a3xA:
21.88
4ntxC-1a3xA:
12.22
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.
4NTX_A_AMRA509_1
(ACID-SENSING ION
CHANNEL 1
BASIC PHOSPHOLIPASE
A2 HOMOLOG TX-BETA)
2vgi PYRUVATE KINASE
ISOZYMES R/L

(Homo
sapiens)
4 / 6 ASP A 339
GLU A 161
ASN A 118
ARG A 116
MN  A1577 ( 2.6A)
K  A1576 ( 4.8A)
K  A1576 (-4.0A)
PGA  A1575 (-3.7A)
1.16A 4ntxA-2vgiA:
undetectable
4ntxC-2vgiA:
undetectable
4ntxA-2vgiA:
21.55
4ntxC-2vgiA:
12.91
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.
4OBW_D_SAMD601_0
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)
5eyw TRIOSEPHOSPHATE
ISOMERASE

(Litopenaeus
vannamei)
5 / 12 ALA A  64
ILE A  93
ASN A  12
GLY A  43
ASN A  66
None
None
PGA  A 301 (-4.1A)
None
None
1.24A 4obwD-5eywA:
undetectable
4obwD-5eywA:
21.17
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.
4X1K_D_LOCD502_2
(TUBULIN BETA CHAIN)
1amk TRIOSE PHOSPHATE
ISOMERASE

(Leishmania
mexicana)
5 / 12 LEU A 232
THR A  44
ALA A  42
VAL A  40
ALA A   9
PGA  A 600 ( 4.2A)
None
None
None
None
1.15A 4x1kD-1amkA:
2.9
4x1kD-1amkA:
20.86
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.
4XMF_A_HSMA202_1
(NITROPHORIN-7)
1te2 2-DEOXYGLUCOSE-6-P
PHOSPHATASE

(Escherichia
coli)
3 / 3 ASP A  13
LEU A  50
GLY A  51
PGA  A 711 ( 2.4A)
None
PGA  A 711 (-3.3A)
0.48A 4xmfA-1te2A:
undetectable
4xmfA-1te2A:
19.91
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.
4ZVM_A_DM2A303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
5eyw TRIOSEPHOSPHATE
ISOMERASE

(Litopenaeus
vannamei)
5 / 12 GLY A 210
GLY A 211
THR A 176
PHE A 241
ILE A 244
None
PGA  A 301 ( 3.8A)
None
None
None
1.16A 4zvmA-5eywA:
undetectable
4zvmB-5eywA:
undetectable
4zvmA-5eywA:
22.14
4zvmB-5eywA:
22.14
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.
5DWK_C_ACTC207_0
(DIACYLGLYCEROL
KINASE)
1pdz ENOLASE
(Homarus
gammarus)
4 / 5 GLU A 209
ALA A 398
ASN A 153
GLU A 166
PGA  A 439 (-3.9A)
None
None
PGA  A 439 ( 4.7A)
1.30A 5dwkC-1pdzA:
1.1
5dwkC-1pdzA:
16.15
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.
5HFJ_E_SAME301_0
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))
2vgi PYRUVATE KINASE
ISOZYMES R/L

(Homo
sapiens)
5 / 12 ALA A 370
SER A 376
THR A 384
GLU A 407
SER A 405
PGA  A1575 ( 4.9A)
None
None
None
PGA  A1575 ( 4.9A)
1.20A 5hfjE-2vgiA:
undetectable
5hfjE-2vgiA:
17.54
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.
5JH7_B_6K9B503_0
(TUBULIN BETA-2B
CHAIN)
1amk TRIOSE PHOSPHATE
ISOMERASE

(Leishmania
mexicana)
5 / 11 VAL A 214
SER A 213
THR A 174
TYR A 210
LEU A 222
None
PGA  A 600 (-4.2A)
None
None
None
1.27A 5jh7B-1amkA:
undetectable
5jh7B-1amkA:
20.86
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.
5JH7_B_6K9B503_0
(TUBULIN BETA-2B
CHAIN)
5eyw TRIOSEPHOSPHATE
ISOMERASE

(Litopenaeus
vannamei)
5 / 11 VAL A 213
SER A 212
THR A 173
TYR A 209
LEU A 221
None
PGA  A 301 (-3.6A)
None
None
None
1.39A 5jh7B-5eywA:
undetectable
5jh7B-5eywA:
20.27
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.
5JH7_B_6K9B503_0
(TUBULIN BETA-2B
CHAIN)
5gzp TRIOSEPHOSPHATE
ISOMERASE

(Plasmodium
falciparum)
5 / 11 VAL A 212
SER A 211
THR A 172
TYR A 208
LEU A 220
None
PGA  A 301 (-3.6A)
None
None
None
1.35A 5jh7B-5gzpA:
undetectable
5jh7B-5gzpA:
19.08
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.
5JH7_D_6K9D502_0
(TUBULIN BETA-2B
CHAIN)
1amk TRIOSE PHOSPHATE
ISOMERASE

(Leishmania
mexicana)
5 / 11 GLN A 182
VAL A 214
SER A 213
THR A 174
TYR A 210
None
None
PGA  A 600 (-4.2A)
None
None
1.42A 5jh7D-1amkA:
undetectable
5jh7D-1amkA:
20.86
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.
5JH7_D_6K9D502_0
(TUBULIN BETA-2B
CHAIN)
1amk TRIOSE PHOSPHATE
ISOMERASE

(Leishmania
mexicana)
5 / 11 VAL A 214
SER A 213
THR A 174
TYR A 210
LEU A 222
None
PGA  A 600 (-4.2A)
None
None
None
1.26A 5jh7D-1amkA:
undetectable
5jh7D-1amkA:
20.86
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.
5JH7_D_6K9D502_0
(TUBULIN BETA-2B
CHAIN)
5eyw TRIOSEPHOSPHATE
ISOMERASE

(Litopenaeus
vannamei)
5 / 11 VAL A 213
SER A 212
THR A 173
TYR A 209
LEU A 221
None
PGA  A 301 (-3.6A)
None
None
None
1.37A 5jh7D-5eywA:
undetectable
5jh7D-5eywA:
20.27
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.
5JH7_D_6K9D502_0
(TUBULIN BETA-2B
CHAIN)
5gzp TRIOSEPHOSPHATE
ISOMERASE

(Plasmodium
falciparum)
5 / 11 VAL A 212
SER A 211
THR A 172
TYR A 208
LEU A 220
None
PGA  A 301 (-3.6A)
None
None
None
1.34A 5jh7D-5gzpA:
undetectable
5jh7D-5gzpA:
19.08
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.
5T8S_B_SAMB402_0
(S-ADENOSYLMETHIONINE
SYNTHASE)
1a3x PYRUVATE KINASE
(Saccharomyces
cerevisiae)
4 / 8 ALA A 263
GLU A 242
ASP A 220
ILE A 237
PGA  A1005 (-2.1A)
MN  A1001 ( 2.9A)
None
None
0.75A 5t8sA-1a3xA:
undetectable
5t8sA-1a3xA:
23.67
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.
5UIG_A_EDTA501_0
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)
2btm PROTEIN
(TRIOSEPHOSPHATE
ISOMERASE)

(Geobacillus
stearothermophil
us)
4 / 6 THR A 138
ARG A 133
ILE A 168
GLU A 166
None
None
None
PGA  A 301 (-2.9A)
1.07A 5uigA-2btmA:
undetectable
5uigA-2btmA:
20.89
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.
5XIO_A_HFGA801_0
(PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE))
1amk TRIOSE PHOSPHATE
ISOMERASE

(Leishmania
mexicana)
5 / 12 GLU A 167
HIS A  95
THR A 130
SER A  96
GLY A 128
PGA  A 600 (-2.4A)
PGA  A 600 (-4.0A)
None
None
None
1.39A 5xioA-1amkA:
undetectable
5xioA-1amkA:
21.69