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.
1J3J_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		1ex0 COAGULATION FACTOR
XIII A CHAIN
(Homo
sapiens)		5 / 10ILE A 330
ALA A 192
ASP A 191
PHE A 184
ILE A 153
None
1.32A16.41
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.
1J3J_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		1u71 DIHYDROFOLATE
REDUCTASE
(Homo
sapiens)		7 / 10ILE A   7
ALA A   9
PHE A  34
SER A  59
ILE A  60
TYR A 121
THR A 136
MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
MXA  A 187 (-3.9A)
MXA  A 187 (-3.8A)
MXA  A 187 ( 4.7A)
None
MXA  A 187 (-4.3A)
0.38A25.09
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.
1J3J_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		2jam CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE 1G
(Homo
sapiens)		5 / 10ILE A 278
ALA A 283
PHE A 254
ILE A 125
THR A 282
None
1.28A22.96
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.
1J3J_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		2jc6 CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE 1D
(Homo
sapiens)		5 / 10ILE A 279
ALA A 284
PHE A 255
ILE A 125
THR A 283
None
1.27A22.22
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.
1J3J_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		2nlk PROTEIN TYROSINE
PHOSPHATASE,
RECEPTOR TYPE, G
VARIANT (FRAGMENT)
(Homo
sapiens)		5 / 10ILE A1222
ALA A1355
ASP A1351
ILE A1403
ILE A1386
None
1.15A18.06
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.
1J3J_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		3gcw PROPROTEIN
CONVERTASE
SUBTILISIN/KEXIN
TYPE 9
(Homo
sapiens)		5 / 10ALA A 388
SER A 419
ILE A 416
ILE A 334
THR A 385
None
1.24A15.26
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.
1J3J_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		3ohm 1-PHOSPHATIDYLINOSIT
OL-4,5-BISPHOSPHATE
PHOSPHODIESTERASE
BETA-3
(Homo
sapiens)		5 / 10ILE B 226
PHE B 296
ASN B 305
ILE B 250
TYR B 822
None
1.31A14.03
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.
1J3J_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		4fg8 CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE 1
(Homo
sapiens)		5 / 10ILE A 276
ALA A 281
PHE A 252
ILE A 122
THR A 280
None
1.22A23.65
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.
1J3J_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		4qx5 CGMP-DEPENDENT
PROTEIN KINASE 1
(Homo
sapiens)		5 / 10ILE A 264
ALA A 318
PHE A 305
ILE A 263
THR A 317
CMP  A 401 (-4.0A)
CMP  A 401 (-3.7A)
None
None
CMP  A 401 (-2.9A)
1.04A19.79
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.
1J3J_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		4z07 CGMP-DEPENDENT
PROTEIN KINASE 1
(Homo
sapiens)		5 / 10ILE A 264
ALA A 318
PHE A 305
ILE A 263
THR A 317
PCG  A 402 ( 4.0A)
PCG  A 402 (-4.0A)
None
None
PCG  A 402 (-2.7A)
1.14A21.27
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.
1J3J_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		5dj4 SESTRIN-2
(Homo
sapiens)		5 / 10ILE A 173
ALA A 467
ASN A 163
ILE A 115
ILE A 162
None
1.21A18.09
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.
1J3J_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		5h9m E3 UBIQUITIN-PROTEIN
LIGASE SIAH2
(Homo
sapiens)		5 / 10ALA A 302
ASP A 300
PHE A 245
ILE A 315
ILE A 210
None
1.32A18.51
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.
1J3J_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		5vlh PROPROTEIN
CONVERTASE
SUBTILISIN/KEXIN
TYPE 9
(Homo
sapiens)		5 / 10ALA A 388
SER A 419
ILE A 416
ILE A 334
THR A 385
None
1.20A17.06
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.
1J3J_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		5xdr PRE-MRNA-SPLICING
FACTOR ATP-DEPENDENT
RNA HELICASE DHX15
(Homo
sapiens)		5 / 10ILE A 258
SER A 164
ILE A 312
ILE A 170
THR A 191
None
ADP  A 801 (-3.3A)
None
None
None
1.28A15.42
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.
1J3J_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		6eot DIPEPTIDYL PEPTIDASE
8
(Homo
sapiens)		5 / 10ILE A 393
ALA A 381
PHE A 453
ILE A 464
ILE A 404
None
1.19A13.07
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.
1J3J_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		6ffh METABOTROPIC
GLUTAMATE RECEPTOR
5,ENDOLYSIN
(Escherichia
virus
T4;
Homo
sapiens)		5 / 10ILE A 636
ALA A 579
ASP A 577
SER A1795
ILE A1799
OLA  A4004 (-4.6A)
None
None
None
MES  A4005 (-4.1A)
1.06A14.18
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.
1J3J_B_CP6B709_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		1u71 DIHYDROFOLATE
REDUCTASE
(Homo
sapiens)		6 / 9ALA A   9
PHE A  34
SER A  59
ILE A  60
TYR A 121
THR A 136
MXA  A 187 (-3.6A)
MXA  A 187 (-3.9A)
MXA  A 187 (-3.8A)
MXA  A 187 ( 4.7A)
None
MXA  A 187 (-4.3A)
0.35A25.09
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.
1J3J_B_CP6B709_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		2fxf DIAMINE
ACETYLTRANSFERASE 1
(Homo
sapiens)		5 / 9ALA A   9
ASP A  13
ILE A 105
ILE A   6
THR A  10
None
None
ACO  A1000 (-4.2A)
None
None
1.38A19.51
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.
1J3J_B_CP6B709_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		4bsn EXPORTIN-1
(Homo
sapiens)		5 / 9ALA A 224
ASN A 131
ILE A 110
ILE A 170
THR A 225
None
1.25A13.77
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.
1J3J_B_CP6B709_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		4fc7 PEROXISOMAL
2,4-DIENOYL-COA
REDUCTASE
(Homo
sapiens)		5 / 9ALA A  58
ASN A 112
SER A 145
ILE A 160
ILE A 111
None
1.50A18.71
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.
1J3J_B_CP6B709_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		4ov6 PROPROTEIN
CONVERTASE
SUBTILISIN/KEXIN
TYPE 9
(Homo
sapiens)		5 / 9ALA B 388
SER B 419
ILE B 416
ILE B 334
THR B 385
None
None
PG4  B 503 (-4.7A)
None
None
1.38A18.43
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.
2BL9_A_CP6A1240_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		1q9p HIV-1 PROTEASE
(Homo
sapiens)		5 / 12ILE A  63
ALA A  71
LEU A  89
ILE A  33
ILE A  62
None
0.86A17.23
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.
2BL9_A_CP6A1240_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		1u71 DIHYDROFOLATE
REDUCTASE
(Homo
sapiens)		7 / 12ILE A   7
ALA A   9
PHE A  34
SER A  59
ILE A  60
TYR A 121
THR A 136
MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
MXA  A 187 (-3.9A)
MXA  A 187 (-3.8A)
MXA  A 187 ( 4.7A)
None
MXA  A 187 (-4.3A)
0.47A29.15
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.
2BL9_A_CP6A1240_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		2nlk PROTEIN TYROSINE
PHOSPHATASE,
RECEPTOR TYPE, G
VARIANT (FRAGMENT)
(Homo
sapiens)		5 / 12ILE A1222
ALA A1355
ASP A1351
ILE A1403
ILE A1386
None
1.18A17.66
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.
2BL9_A_CP6A1240_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		4fqz GALECTIN-8
(Homo
sapiens)		5 / 12ILE A 107
LEU A   8
SER A 148
ILE A  12
ILE A  35
None
1.17A22.22
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.
2BL9_A_CP6A1240_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		4uyb SEC14-LIKE PROTEIN 3
(Homo
sapiens)		5 / 12ILE A 217
MET A 205
ILE A 103
ILE A 191
THR A 213
None
UNL  A1407 ( 4.9A)
UNL  A1407 ( 4.6A)
None
None
1.09A20.10
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.
2BL9_A_CP6A1240_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		6eot DIPEPTIDYL PEPTIDASE
8
(Homo
sapiens)		5 / 12ILE A 393
ALA A 381
PHE A 453
ILE A 464
ILE A 404
None
1.17A14.04
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.
2BL9_A_CP6A1240_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		6ffh METABOTROPIC
GLUTAMATE RECEPTOR
5,ENDOLYSIN
(Escherichia
virus
T4;
Homo
sapiens)		5 / 12ILE A 636
ALA A 579
ASP A 577
SER A1795
ILE A1799
OLA  A4004 (-4.6A)
None
None
None
MES  A4005 (-4.1A)
1.10A16.59
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.
2BLA_A_CP6A302_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		1u71 DIHYDROFOLATE
REDUCTASE
(Homo
sapiens)		7 / 11ILE A   7
ALA A   9
PHE A  34
SER A  59
ILE A  60
TYR A 121
THR A 136
MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
MXA  A 187 (-3.9A)
MXA  A 187 (-3.8A)
MXA  A 187 ( 4.7A)
None
MXA  A 187 (-4.3A)
0.65A28.63
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.
2BLA_A_CP6A302_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		2jam CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE 1G
(Homo
sapiens)		5 / 11ILE A 278
ALA A 283
PHE A 254
ILE A 125
THR A 282
None
1.21A23.41
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.
2BLA_A_CP6A302_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		2jc6 CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE 1D
(Homo
sapiens)		5 / 11ILE A 279
ALA A 284
PHE A 255
ILE A 125
THR A 283
None
1.21A20.59
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.
2BLA_A_CP6A302_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		3p11 RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-3
(Homo
sapiens)		5 / 11ILE A 374
ASP A 343
ILE A 435
ILE A 399
THR A 315
None
1.18A19.02
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.
2BLA_A_CP6A302_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		4fg8 CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE 1
(Homo
sapiens)		5 / 11ILE A 276
ALA A 281
PHE A 252
ILE A 122
THR A 280
None
1.16A22.05
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.
2BLA_A_CP6A302_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		4qx5 CGMP-DEPENDENT
PROTEIN KINASE 1
(Homo
sapiens)		5 / 11ILE A 264
ALA A 318
PHE A 305
ILE A 263
THR A 317
CMP  A 401 (-4.0A)
CMP  A 401 (-3.7A)
None
None
CMP  A 401 (-2.9A)
1.00A19.66
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.
2BLA_A_CP6A302_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		4z07 CGMP-DEPENDENT
PROTEIN KINASE 1
(Homo
sapiens)		5 / 11ILE A 264
ALA A 318
PHE A 305
ILE A 263
THR A 317
PCG  A 402 ( 4.0A)
PCG  A 402 (-4.0A)
None
None
PCG  A 402 (-2.7A)
1.09A21.15
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.
2BLA_A_CP6A302_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		5dj4 SESTRIN-2
(Homo
sapiens)		5 / 11ILE A 173
ALA A 467
ASN A 163
ILE A 115
ILE A 162
None
1.26A18.68
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.
2BLA_A_CP6A302_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		5xtb NADH-UBIQUINONE
OXIDOREDUCTASE 75
KDA SUBUNIT,
MITOCHONDRIAL
(Homo
sapiens)		5 / 11ILE M 222
MET M 213
PHE M 214
ILE M 691
THR M 171
None
1.12A18.37
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.
2BLA_A_CP6A302_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		6eot DIPEPTIDYL PEPTIDASE
8
(Homo
sapiens)		5 / 11ILE A 393
ALA A 381
PHE A 453
ILE A 464
ILE A 404
None
1.20A15.35
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.
2BLA_A_CP6A302_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		6ffh METABOTROPIC
GLUTAMATE RECEPTOR
5,ENDOLYSIN
(Escherichia
virus
T4;
Homo
sapiens)		5 / 11ILE A 636
ALA A 579
ASP A 577
SER A1795
ILE A1799
OLA  A4004 (-4.6A)
None
None
None
MES  A4005 (-4.1A)
1.16A16.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LMY_A_CP6A562_1
(BETA-HEXOSAMINIDASE
SUBUNIT BETA)		1now BETA-HEXOSAMINIDASE
BETA CHAIN
(Homo
sapiens)		12 / 12ARG A 211
HIS A 237
ASP A 240
ASP A 290
HIS A 294
ASP A 354
TRP A 424
TYR A 450
ASP A 452
LEU A 453
TRP A 489
GLU A 491
IFG  A 557 (-2.8A)
None
IFG  A 557 ( 4.7A)
None
IFG  A 557 ( 4.3A)
IFG  A 557 (-3.6A)
IFG  A 557 (-3.6A)
IFG  A 557 (-4.6A)
IFG  A 557 (-3.2A)
None
IFG  A 557 (-3.6A)
IFG  A 557 (-3.2A)
0.32A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LMY_A_CP6A562_1
(BETA-HEXOSAMINIDASE
SUBUNIT BETA)		2gjx BETA-HEXOSAMINIDASE
ALPHA CHAIN
(Homo
sapiens)		10 / 12ARG A 178
HIS A 204
ASP A 207
ASP A 258
HIS A 262
ASP A 322
TRP A 392
TYR A 421
TRP A 460
GLU A 462
None
None
None
None
None
SO4  A 708 (-3.9A)
SO4  A 708 (-3.2A)
SO4  A 708 (-4.5A)
SO4  A 708 (-3.9A)
None
0.25A56.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LMY_A_CP6A562_1
(BETA-HEXOSAMINIDASE
SUBUNIT BETA)		2gk1 BETA-HEXOSAMINIDASE
SUBUNIT ALPHA
(Homo
sapiens)		10 / 12ARG I 178
HIS I 204
ASP I 207
ASP I 258
HIS I 262
ASP I 322
TRP I 392
TYR I 421
TRP I 460
GLU I 462
NGT  A  21 (-2.3A)
None
NGT  A  21 (-3.8A)
None
NGT  A  21 (-3.4A)
NGT  A  21 (-3.2A)
NGT  A  21 ( 4.3A)
None
NGT  A  21 (-3.7A)
NGT  A  21 (-3.0A)
0.25A51.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LMY_A_CP6A562_1
(BETA-HEXOSAMINIDASE
SUBUNIT BETA)		2gk1 BETA-HEXOSAMINIDASE
SUBUNIT BETA CHAIN A
BETA-HEXOSAMINIDASE
SUBUNIT BETA CHAIN B
(Homo
sapiens)		12 / 12ARG M 211
HIS M 237
ASP M 240
ASP M 290
HIS M 294
ASP N 354
TRP N 424
TYR N 450
ASP N 452
LEU N 453
TRP N 489
GLU N 491
None
0.35A100.00
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.
3LMY_A_CP6A562_1
(BETA-HEXOSAMINIDASE
SUBUNIT BETA)		3nzu PHOSPHATIDYLINOSITOL
-4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT GAMMA
ISOFORM
(Homo
sapiens)		5 / 12ASP A 171
HIS A 471
ASP A 470
TYR A 480
LEU A 482
None
1.34A19.63
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.
3LMY_A_CP6A562_1
(BETA-HEXOSAMINIDASE
SUBUNIT BETA)		3ohm 1-PHOSPHATIDYLINOSIT
OL-4,5-BISPHOSPHATE
PHOSPHODIESTERASE
BETA-3
(Homo
sapiens)		5 / 12ARG B 646
HIS B 332
ASP B 364
TYR B 350
LEU B 354
None
None
CA  B 900 (-2.4A)
None
None
1.50A20.71
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.
3LMY_A_CP6A562_1
(BETA-HEXOSAMINIDASE
SUBUNIT BETA)		4hva CASPASE-6
(Homo
sapiens)		5 / 12ASP A 112
ASP A  40
HIS A  41
ASP A 205
LEU A 200
None
1.33A17.53
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.
3LMY_A_CP6A562_1
(BETA-HEXOSAMINIDASE
SUBUNIT BETA)		4qj4 1-PHOSPHATIDYLINOSIT
OL 4,5-BISPHOSPHATE
PHOSPHODIESTERASE
BETA-3
(Homo
sapiens)		5 / 12ARG B 646
HIS B 332
ASP B 364
TYR B 350
LEU B 354
I3P  B 902 (-3.7A)
I3P  B 902 (-4.1A)
CA  B 901 (-2.0A)
None
None
1.49A21.43
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.
3LMY_A_CP6A562_1
(BETA-HEXOSAMINIDASE
SUBUNIT BETA)		5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1
(Homo
sapiens)		5 / 12ARG A 164
HIS A 167
ASP A 207
ASP A 311
LEU A 323
DG3  A2001 (-3.0A)
FE  A1001 ( 3.6A)
FE  A1001 ( 2.7A)
FE  A1001 ( 2.6A)
None
1.37A21.79
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.
3LMY_A_CP6A562_1
(BETA-HEXOSAMINIDASE
SUBUNIT BETA)		5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1
(Homo
sapiens)		5 / 12ARG A 164
HIS A 167
ASP A 207
ASP A 311
TYR A 374
DG3  A2001 (-3.0A)
FE  A1001 ( 3.6A)
FE  A1001 ( 2.7A)
FE  A1001 ( 2.6A)
DG3  A2001 (-4.3A)
1.28A21.79
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.
3LMY_A_CP6A562_1
(BETA-HEXOSAMINIDASE
SUBUNIT BETA)		5xtd NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
9, MITOCHONDRIAL
(Homo
sapiens)		5 / 12ARG J 321
HIS J 169
ASP J 326
ASP J 211
LEU J 214
None
NDP  J 401 (-3.9A)
None
NDP  J 401 ( 4.0A)
None
1.45A21.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LMY_B_CP6B563_1
(BETA-HEXOSAMINIDASE
SUBUNIT BETA)		1now BETA-HEXOSAMINIDASE
BETA CHAIN
(Homo
sapiens)		12 / 12ARG A 211
HIS A 237
ASP A 240
ASP A 290
HIS A 294
ASP A 354
GLU A 355
TRP A 405
TRP A 424
TYR A 450
TRP A 489
GLU A 491
IFG  A 557 (-2.8A)
None
IFG  A 557 ( 4.7A)
None
IFG  A 557 ( 4.3A)
IFG  A 557 (-3.6A)
IFG  A 557 (-3.1A)
IFG  A 557 (-3.3A)
IFG  A 557 (-3.6A)
IFG  A 557 (-4.6A)
IFG  A 557 (-3.6A)
IFG  A 557 (-3.2A)
0.34A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LMY_B_CP6B563_1
(BETA-HEXOSAMINIDASE
SUBUNIT BETA)		1now BETA-HEXOSAMINIDASE
BETA CHAIN
(Homo
sapiens)		5 / 12HIS A 237
ASP A 240
GLU A 491
TYR A 450
TRP A 489
None
IFG  A 557 ( 4.7A)
IFG  A 557 (-3.2A)
IFG  A 557 (-4.6A)
IFG  A 557 (-3.6A)
1.39A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LMY_B_CP6B563_1
(BETA-HEXOSAMINIDASE
SUBUNIT BETA)		2gjx BETA-HEXOSAMINIDASE
ALPHA CHAIN
(Homo
sapiens)		12 / 12ARG A 178
HIS A 204
ASP A 207
ASP A 258
HIS A 262
ASP A 322
GLU A 323
TRP A 373
TRP A 392
TYR A 421
TRP A 460
GLU A 462
None
None
None
None
None
SO4  A 708 (-3.9A)
SO4  A 708 (-3.9A)
SO4  A 708 (-3.7A)
SO4  A 708 (-3.2A)
SO4  A 708 (-4.5A)
SO4  A 708 (-3.9A)
None
0.36A56.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LMY_B_CP6B563_1
(BETA-HEXOSAMINIDASE
SUBUNIT BETA)		2gjx BETA-HEXOSAMINIDASE
ALPHA CHAIN
(Homo
sapiens)		5 / 12HIS A 204
ASP A 258
TYR A 421
TRP A 460
GLU A 323
None
None
SO4  A 708 (-4.5A)
SO4  A 708 (-3.9A)
SO4  A 708 (-3.9A)
1.48A56.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LMY_B_CP6B563_1
(BETA-HEXOSAMINIDASE
SUBUNIT BETA)		2gk1 BETA-HEXOSAMINIDASE
SUBUNIT ALPHA
(Homo
sapiens)		12 / 12ARG I 178
HIS I 204
ASP I 207
ASP I 258
HIS I 262
ASP I 322
GLU I 323
TRP I 373
TRP I 392
TYR I 421
TRP I 460
GLU I 462
NGT  A  21 (-2.3A)
None
NGT  A  21 (-3.8A)
None
NGT  A  21 (-3.4A)
NGT  A  21 (-3.2A)
NGT  A  21 (-3.4A)
NGT  A  21 (-3.0A)
NGT  A  21 ( 4.3A)
None
NGT  A  21 (-3.7A)
NGT  A  21 (-3.0A)
0.33A51.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LMY_B_CP6B563_1
(BETA-HEXOSAMINIDASE
SUBUNIT BETA)		2gk1 BETA-HEXOSAMINIDASE
SUBUNIT ALPHA
(Homo
sapiens)		5 / 12ASP I 208
HIS I 262
ASP I 322
GLU I 323
TRP I 392
None
NGT  A  21 (-3.4A)
NGT  A  21 (-3.2A)
NGT  A  21 (-3.4A)
NGT  A  21 ( 4.3A)
1.32A51.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LMY_B_CP6B563_1
(BETA-HEXOSAMINIDASE
SUBUNIT BETA)		2gk1 BETA-HEXOSAMINIDASE
SUBUNIT ALPHA
(Homo
sapiens)		5 / 12HIS I 204
ASP I 207
GLU I 462
TYR I 421
TRP I 460
None
NGT  A  21 (-3.8A)
NGT  A  21 (-3.0A)
None
NGT  A  21 (-3.7A)
1.33A51.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LMY_B_CP6B563_1
(BETA-HEXOSAMINIDASE
SUBUNIT BETA)		2gk1 BETA-HEXOSAMINIDASE
SUBUNIT BETA CHAIN A
BETA-HEXOSAMINIDASE
SUBUNIT BETA CHAIN B
(Homo
sapiens)		12 / 12ARG M 211
HIS M 237
ASP M 240
ASP M 290
HIS M 294
ASP N 354
GLU N 355
TRP N 405
TRP N 424
TYR N 450
TRP N 489
GLU N 491
None
0.40A100.00
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.
3LMY_B_CP6B563_1
(BETA-HEXOSAMINIDASE
SUBUNIT BETA)		4obs ALPHA-L-IDURONIDASE
(Homo
sapiens)		5 / 12ARG A  89
ASP A 298
HIS A 262
GLU A 182
GLU A 131
None
1.24A21.84
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.
3LMY_B_CP6B563_1
(BETA-HEXOSAMINIDASE
SUBUNIT BETA)		5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1
(Homo
sapiens)		5 / 12ARG A 164
HIS A 167
ASP A 207
ASP A 311
TYR A 374
DG3  A2001 (-3.0A)
FE  A1001 ( 3.6A)
FE  A1001 ( 2.7A)
FE  A1001 ( 2.6A)
DG3  A2001 (-4.3A)
1.30A21.79
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.
3QFX_A_CP6A602_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		1u71 DIHYDROFOLATE
REDUCTASE
(Homo
sapiens)		6 / 12ALA A   9
PHE A  34
THR A  56
SER A  59
TYR A 121
THR A 136
MXA  A 187 (-3.6A)
MXA  A 187 (-3.9A)
SO4  A 188 (-3.5A)
MXA  A 187 (-3.8A)
None
MXA  A 187 (-4.3A)
0.38A29.27
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.
3QFX_A_CP6A602_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		1zkl HIGH-AFFINITY
CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 7A
(Homo
sapiens)		5 / 12ALA A 250
ILE A 201
PHE A 178
SER A 296
THR A 221
None
1.06A23.35
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.
3QFX_A_CP6A602_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens)		5 / 12ALA A 157
THR A 204
LEU A 208
ILE A 124
THR A  79
J60  A1294 ( 4.2A)
None
None
None
J60  A1294 ( 4.2A)
1.17A24.01
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.
3QFX_A_CP6A602_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		3zdu CYCLIN-DEPENDENT
KINASE-LIKE 3
(Homo
sapiens)		5 / 12ALA A 195
MET A 190
LEU A 110
ILE A 262
THR A 196
None
1.18A22.63
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.
3QFX_A_CP6A602_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		4gbr BETA-2 ADRENERGIC
RECEPTOR
(Homo
sapiens)		5 / 12VAL A 117
ALA A  78
ASP A  79
PHE A 254
ILE A 121
CAU  A 500 (-4.2A)
None
None
None
None
1.18A21.29
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.
3QFX_A_CP6A602_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		4o27 SERINE/THREONINE-PRO
TEIN KINASE 24
(Homo
sapiens)		5 / 12ALA B 161
THR B 208
LEU B 212
ILE B 128
THR B  83
None
None
None
None
ADP  B 500 ( 4.9A)
1.17A22.74
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.
3QFX_B_CP6B702_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		1u71 DIHYDROFOLATE
REDUCTASE
(Homo
sapiens)		6 / 12ALA A   9
PHE A  34
THR A  56
SER A  59
TYR A 121
THR A 136
MXA  A 187 (-3.6A)
MXA  A 187 (-3.9A)
SO4  A 188 (-3.5A)
MXA  A 187 (-3.8A)
None
MXA  A 187 (-4.3A)
0.37A29.27
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.
3QFX_B_CP6B702_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		1zkl HIGH-AFFINITY
CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 7A
(Homo
sapiens)		5 / 12ALA A 250
ILE A 201
PHE A 178
SER A 296
THR A 221
None
1.04A23.35
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.
3QFX_B_CP6B702_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens)		5 / 12ALA A 157
THR A 204
LEU A 208
ILE A 124
THR A  79
J60  A1294 ( 4.2A)
None
None
None
J60  A1294 ( 4.2A)
1.16A24.01
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.
3QFX_B_CP6B702_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		3zdu CYCLIN-DEPENDENT
KINASE-LIKE 3
(Homo
sapiens)		5 / 12ALA A 195
MET A 190
LEU A 110
ILE A 262
THR A 196
None
1.19A22.63
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.
3QFX_B_CP6B702_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		4o27 SERINE/THREONINE-PRO
TEIN KINASE 24
(Homo
sapiens)		5 / 12ALA B 161
THR B 208
LEU B 212
ILE B 128
THR B  83
None
None
None
None
ADP  B 500 ( 4.9A)
1.18A22.74
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.
3QFX_B_CP6B702_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		4xgm MITOCHONDRIAL
RIBONUCLEASE P
PROTEIN 3
(Homo
sapiens)		5 / 12ALA A 284
ILE A 251
MET A 278
LEU A 271
ILE A 304
None
1.17A22.10
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.
3QG2_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		1ex0 COAGULATION FACTOR
XIII A CHAIN
(Homo
sapiens)		5 / 10ILE A 330
ALA A 192
ASP A 191
PHE A 184
ILE A 153
None
1.38A20.67
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.
3QG2_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		1u71 DIHYDROFOLATE
REDUCTASE
(Homo
sapiens)		7 / 10ILE A   7
ALA A   9
PHE A  34
SER A  59
ILE A  60
TYR A 121
THR A 136
MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
MXA  A 187 (-3.9A)
MXA  A 187 (-3.8A)
MXA  A 187 ( 4.7A)
None
MXA  A 187 (-4.3A)
0.36A13.63
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.
3QG2_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		5j1t TORSIN-1A
(Homo
sapiens)		5 / 10ASP A 173
MET A 172
ASN A 109
SER A 112
ILE A 168
None
None
MG  A 402 ( 2.9A)
None
None
1.17A18.92
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.
3QG2_B_CP6B709_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		1u71 DIHYDROFOLATE
REDUCTASE
(Homo
sapiens)		7 / 11ILE A   7
ALA A   9
PHE A  34
SER A  59
ILE A  60
TYR A 121
THR A 136
MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
MXA  A 187 (-3.9A)
MXA  A 187 (-3.8A)
MXA  A 187 ( 4.7A)
None
MXA  A 187 (-4.3A)
0.36A13.63
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.
3QG2_B_CP6B709_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		2z0b PUTATIVE
GLYCEROPHOSPHODIESTE
R PHOSPHODIESTERASE
5
(Homo
sapiens)		5 / 11ILE A  27
ASP A 115
PHE A  13
SER A  68
LEU A  34
None
1.28A10.33
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.
3QG2_B_CP6B709_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		4f52 GLOMULIN
(Homo
sapiens)		5 / 11ILE E 143
ALA E 146
SER E 215
ILE E 244
LEU E 208
None
1.32A23.34
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.
3QG2_B_CP6B709_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		5ek0 CHIMERA OF BACTERIAL
ION TRANSPORT
PROTEIN AND HUMAN
SODIUM CHANNEL
PROTEIN TYPE 9
SUBUNIT ALPHA
(Arcobacter
butzleri;
Homo
sapiens)		5 / 11ALA A1615
PHE A1570
SER A1578
ILE A1577
LEU A1610
None
1.08A18.95
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.
3QG2_B_CP6B709_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		5j6z ANASTELLIN
FIBRONECTIN
(Homo
sapiens)		5 / 11ASP A  12
PHE B  99
SER B  87
ILE B  86
LEU B  47
None
1.33A4.94
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.
3QG2_B_CP6B709_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		5vcs ALPHA-1,6-MANNOSYL-G
LYCOPROTEIN
2-BETA-N-ACETYLGLUCO
SAMINYLTRANSFERASE
(Homo
sapiens)		5 / 11ILE A 395
PHE A 373
ASN A 402
ILE A 369
LEU A 399
None
1.26A9.25
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.
3QGT_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		1u71 DIHYDROFOLATE
REDUCTASE
(Homo
sapiens)		7 / 10ILE A   7
ALA A   9
PHE A  34
SER A  59
ILE A  60
TYR A 121
THR A 136
MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
MXA  A 187 (-3.9A)
MXA  A 187 (-3.8A)
MXA  A 187 ( 4.7A)
None
MXA  A 187 (-4.3A)
0.40A13.65
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.
3QGT_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		2nlk PROTEIN TYROSINE
PHOSPHATASE,
RECEPTOR TYPE, G
VARIANT (FRAGMENT)
(Homo
sapiens)		5 / 10ILE A1222
ALA A1355
ASP A1351
ILE A1403
ILE A1386
None
1.18A21.01
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.
3QGT_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		4bmb GALECTIN-8
(Homo
sapiens)		5 / 10ILE A 107
SER A 148
ILE A  12
ILE A  35
THR A  31
None
1.22A13.16
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.
3QGT_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		4qx5 CGMP-DEPENDENT
PROTEIN KINASE 1
(Homo
sapiens)		5 / 10ILE A 264
ALA A 318
PHE A 305
ILE A 263
THR A 317
CMP  A 401 (-4.0A)
CMP  A 401 (-3.7A)
None
None
CMP  A 401 (-2.9A)
1.01A12.81
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.
3QGT_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		4z07 CGMP-DEPENDENT
PROTEIN KINASE 1
(Homo
sapiens)		5 / 10ILE A 264
ALA A 318
PHE A 305
ILE A 263
THR A 317
PCG  A 402 ( 4.0A)
PCG  A 402 (-4.0A)
None
None
PCG  A 402 (-2.7A)
1.10A17.38
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.
3QGT_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		5hx6 RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 1
(Homo
sapiens)		5 / 10ALA A 160
ASP A 156
SER A 209
SER A 213
ILE A 135
None
65U  A 301 (-4.7A)
None
None
None
1.12A18.12
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.
3QGT_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		6eot DIPEPTIDYL PEPTIDASE
8
(Homo
sapiens)		5 / 10ILE A 393
ALA A 381
PHE A 453
ILE A 464
ILE A 404
None
1.15A8.39
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.
3QGT_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		6ffh METABOTROPIC
GLUTAMATE RECEPTOR
5,ENDOLYSIN
(Escherichia
virus
T4;
Homo
sapiens)		5 / 10ILE A 636
ALA A 579
ASP A 577
SER A1795
ILE A1799
OLA  A4004 (-4.6A)
None
None
None
MES  A4005 (-4.1A)
1.09A8.61
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.
3QGT_B_CP6B609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		1n3y INTEGRIN ALPHA-X
(Homo
sapiens)		5 / 10ILE A 213
ALA A 257
SER A 290
ILE A 294
ILE A 285
None
1.23A13.50
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.
3QGT_B_CP6B609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		1u71 DIHYDROFOLATE
REDUCTASE
(Homo
sapiens)		5 / 10ALA A   9
PHE A  34
SER A  59
ILE A  60
THR A 136
MXA  A 187 (-3.6A)
MXA  A 187 (-3.9A)
MXA  A 187 (-3.8A)
MXA  A 187 ( 4.7A)
MXA  A 187 (-4.3A)
1.08A13.65
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.
3QGT_B_CP6B609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		1u71 DIHYDROFOLATE
REDUCTASE
(Homo
sapiens)		7 / 10ILE A   7
ALA A   9
PHE A  34
SER A  59
ILE A  60
TYR A 121
THR A 136
MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
MXA  A 187 (-3.9A)
MXA  A 187 (-3.8A)
MXA  A 187 ( 4.7A)
None
MXA  A 187 (-4.3A)
0.35A13.65
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.
3QGT_B_CP6B609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		2jam CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE 1G
(Homo
sapiens)		5 / 10ILE A 278
ALA A 283
PHE A 254
ILE A 125
THR A 282
None
1.26A20.30
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.
3QGT_B_CP6B609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		2jc6 CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE 1D
(Homo
sapiens)		5 / 10ILE A 279
ALA A 284
PHE A 255
ILE A 125
THR A 283
None
1.26A19.26
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.
3QGT_B_CP6B609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		2nlk PROTEIN TYROSINE
PHOSPHATASE,
RECEPTOR TYPE, G
VARIANT (FRAGMENT)
(Homo
sapiens)		5 / 10ILE A1222
ALA A1355
ASP A1351
ILE A1403
ILE A1386
None
1.16A21.01
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.
3QGT_B_CP6B609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		3thz DNA MISMATCH REPAIR
PROTEIN MSH2
(Homo
sapiens)		5 / 10ILE A 746
ALA A 305
ASP A 303
ILE A 766
ILE A 747
None
1.23A21.32
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.
3QGT_B_CP6B609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		4fg8 CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE 1
(Homo
sapiens)		5 / 10ILE A 276
ALA A 281
PHE A 252
ILE A 122
THR A 280
None
1.21A18.62
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.
3QGT_B_CP6B609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		4kxb GLUTAMYL
AMINOPEPTIDASE
(Homo
sapiens)		5 / 10ILE A 121
ALA A 241
PHE A 234
SER A 126
ILE A 123
None
1.16A19.54
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.
3QGT_B_CP6B609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		4qx5 CGMP-DEPENDENT
PROTEIN KINASE 1
(Homo
sapiens)		5 / 10ILE A 264
ALA A 318
PHE A 305
ILE A 263
THR A 317
CMP  A 401 (-4.0A)
CMP  A 401 (-3.7A)
None
None
CMP  A 401 (-2.9A)
1.01A12.81
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.
3QGT_B_CP6B609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		4z07 CGMP-DEPENDENT
PROTEIN KINASE 1
(Homo
sapiens)		5 / 10ILE A 264
ALA A 318
PHE A 305
ILE A 263
THR A 317
PCG  A 402 ( 4.0A)
PCG  A 402 (-4.0A)
None
None
PCG  A 402 (-2.7A)
1.10A17.38
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.
3QGT_B_CP6B609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		6eot DIPEPTIDYL PEPTIDASE
8
(Homo
sapiens)		5 / 10ILE A 393
ALA A 381
PHE A 453
ILE A 464
ILE A 404
None
1.15A8.39
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.
3QGT_B_CP6B609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		6ffh METABOTROPIC
GLUTAMATE RECEPTOR
5,ENDOLYSIN
(Escherichia
virus
T4;
Homo
sapiens)		5 / 10ILE A 636
ALA A 579
ASP A 577
SER A1795
ILE A1799
OLA  A4004 (-4.6A)
None
None
None
MES  A4005 (-4.1A)
1.08A8.61
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.
3UM5_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		1u71 DIHYDROFOLATE
REDUCTASE
(Homo
sapiens)		7 / 10ILE A   7
PHE A  34
THR A  56
SER A  59
ILE A  60
TYR A 121
THR A 136
MXA  A 187 (-4.5A)
MXA  A 187 (-3.9A)
SO4  A 188 (-3.5A)
MXA  A 187 (-3.8A)
MXA  A 187 ( 4.7A)
None
MXA  A 187 (-4.3A)
0.44A13.82
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.
3UM5_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		2nmp CYSTATHIONINE
GAMMA-LYASE
(Homo
sapiens)		5 / 10ILE A 132
VAL A 124
PHE A 121
ILE A  97
ILE A 107
None
1.24A19.71
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.
3UM5_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		3puf RIBONUCLEASE H2
SUBUNIT B
(Homo
sapiens)		5 / 10ILE B 220
PHE B  95
THR B 174
ILE B 216
THR B 163
None
1.36A16.20
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.
3UM5_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		5dot CARBAMOYL-PHOSPHATE
SYNTHASE [AMMONIA],
MITOCHONDRIAL
(Homo
sapiens)		5 / 10ILE A 801
THR A 955
SER A 953
ILE A 944
THR A 961
None
0.98A17.86
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.
3UM5_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		5m3x ANGIOTENSINOGEN
(Homo
sapiens)		5 / 10ILE A  39
THR A 230
SER A 394
ILE A 218
THR A  43
None
1.33A8.39
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.
3UM5_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		5xdr PRE-MRNA-SPLICING
FACTOR ATP-DEPENDENT
RNA HELICASE DHX15
(Homo
sapiens)		5 / 10ILE A 258
SER A 164
ILE A 312
ILE A 170
THR A 191
None
ADP  A 801 (-3.3A)
None
None
None
1.26A21.19
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.
3UM5_B_CP6B709_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		1u71 DIHYDROFOLATE
REDUCTASE
(Homo
sapiens)		7 / 10ILE A   7
PHE A  34
THR A  56
SER A  59
ILE A  60
TYR A 121
THR A 136
MXA  A 187 (-4.5A)
MXA  A 187 (-3.9A)
SO4  A 188 (-3.5A)
MXA  A 187 (-3.8A)
MXA  A 187 ( 4.7A)
None
MXA  A 187 (-4.3A)
0.49A13.82
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.
3UM5_B_CP6B709_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		1wjo T-PLASTIN
(Homo
sapiens)		5 / 10PHE A 107
THR A  36
SER A  39
ILE A  29
THR A  19
None
1.36A13.36
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.
3UM5_B_CP6B709_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		2nmp CYSTATHIONINE
GAMMA-LYASE
(Homo
sapiens)		5 / 10ILE A 132
VAL A 124
PHE A 121
ILE A  97
ILE A 107
None
1.26A19.71
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.
3UM5_B_CP6B709_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		3puf RIBONUCLEASE H2
SUBUNIT B
(Homo
sapiens)		5 / 10ILE B 220
PHE B  95
THR B 174
ILE B 216
THR B 163
None
1.34A16.20
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.
3UM5_B_CP6B709_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		5fur TRANSCRIPTION
INITIATION FACTOR
IIA SUBUNIT 1
TRANSCRIPTION
INITIATION FACTOR
IIA SUBUNIT 2
(Homo
sapiens)		5 / 10ILE C 366
THR D  10
SER D  14
ILE C 357
THR B   9
None
1.28A6.16
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.
3UM5_B_CP6B709_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		5l46 DIMETHYLGLYCINE
DEHYDROGENASE,
MITOCHONDRIAL
(Homo
sapiens)		5 / 10THR A 582
ILE A 567
ILE A 674
TYR A 685
THR A 532
None
1.14A20.41
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.
3UM5_B_CP6B709_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		5te1 ATP-CITRATE SYNTHASE
(Homo
sapiens)		5 / 10ILE A 357
VAL A 350
ILE A 414
ILE A 340
TYR A 307
None
1.21A20.14
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.
4KM0_A_CP6A201_1
(DIHYDROFOLATE
REDUCTASE)		1imv PIGMENT
EPITHELIUM-DERIVED
FACTOR
(Homo
sapiens)		5 / 10ILE A 331
PHE A 124
LEU A 138
ILE A 326
THR A 334
None
1.11A19.35
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.
4KM0_A_CP6A201_1
(DIHYDROFOLATE
REDUCTASE)		1u71 DIHYDROFOLATE
REDUCTASE
(Homo
sapiens)		6 / 10ILE A   7
ALA A   9
PHE A  34
THR A  56
TYR A 121
THR A 136
MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
MXA  A 187 (-3.9A)
SO4  A 188 (-3.5A)
None
MXA  A 187 (-4.3A)
0.66A29.81
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.
4KM0_A_CP6A201_1
(DIHYDROFOLATE
REDUCTASE)		2jam CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE 1G
(Homo
sapiens)		5 / 10ILE A 278
ALA A 283
PHE A 254
ILE A 125
THR A 282
None
1.21A18.18
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.
4KM0_A_CP6A201_1
(DIHYDROFOLATE
REDUCTASE)		2jc6 CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE 1D
(Homo
sapiens)		5 / 10ILE A 279
ALA A 284
PHE A 255
ILE A 125
THR A 283
None
1.21A17.26
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.
4KM0_A_CP6A201_1
(DIHYDROFOLATE
REDUCTASE)		2okk GLUTAMATE
DECARBOXYLASE 2
(Homo
sapiens)		5 / 10TRP A 392
ALA A 366
ASP A 364
THR A 502
THR A 391
None
LLP  A 396 ( 3.5A)
LLP  A 396 ( 2.6A)
None
None
1.24A16.32
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.
4KM0_A_CP6A201_1
(DIHYDROFOLATE
REDUCTASE)		2oy4 NEUTROPHIL
COLLAGENASE
(Homo
sapiens)		5 / 10ILE A 138
ALA A 163
PHE A 199
LEU A 191
ILE A 140
None
1.03A18.09
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.
4KM0_A_CP6A201_1
(DIHYDROFOLATE
REDUCTASE)		2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens)		5 / 10ALA A 157
THR A 204
LEU A 208
ILE A 124
THR A  79
J60  A1294 ( 4.2A)
None
None
None
J60  A1294 ( 4.2A)
1.05A19.86
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.
4KM0_A_CP6A201_1
(DIHYDROFOLATE
REDUCTASE)		2y8f RAN-BINDING PROTEIN
3
(Homo
sapiens)		5 / 10ILE A 397
ALA A 435
THR A 389
LEU A 387
ILE A 407
GOL  A1452 (-4.7A)
None
None
None
None
1.20A23.32
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.
4KM0_A_CP6A201_1
(DIHYDROFOLATE
REDUCTASE)		3ogj PRKG1 PROTEIN
(Homo
sapiens)		5 / 10ILE A 146
ALA A 194
PHE A 181
ILE A 145
THR A 193
CMP  A 250 ( 4.2A)
CMP  A 250 (-3.6A)
None
None
CMP  A 250 (-2.9A)
1.06A20.79
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.
4KM0_A_CP6A201_1
(DIHYDROFOLATE
REDUCTASE)		4bgc POTASSIUM
VOLTAGE-GATED
CHANNEL SUBFAMILY A
MEMBER 3
(Homo
sapiens)		5 / 10ILE A  58
ASP A 105
PHE A 104
LEU A  70
ILE A  56
None
None
None
CSO  A  71 ( 4.2A)
None
1.26A19.08
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.
4KM0_A_CP6A201_1
(DIHYDROFOLATE
REDUCTASE)		4bws THIOREDOXIN-LIKE
PROTEIN 4A
(Homo
sapiens)		5 / 10ILE A  92
PHE A  83
LEU A  45
ILE A 102
TYR A 136
None
1.32A24.61
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.
4KM0_A_CP6A201_1
(DIHYDROFOLATE
REDUCTASE)		4fg8 CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE 1
(Homo
sapiens)		5 / 10ILE A 276
ALA A 281
PHE A 252
ILE A 122
THR A 280
None
1.17A17.37
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.
4KM0_A_CP6A201_1
(DIHYDROFOLATE
REDUCTASE)		4fvl COLLAGENASE 3
(Homo
sapiens)		5 / 10ILE A 163
ALA A 188
PHE A 224
LEU A 216
ILE A 165
None
1.09A17.12
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.
4KM0_A_CP6A201_1
(DIHYDROFOLATE
REDUCTASE)		4o27 SERINE/THREONINE-PRO
TEIN KINASE 24
(Homo
sapiens)		5 / 10ALA B 161
THR B 208
LEU B 212
ILE B 128
THR B  83
None
None
None
None
ADP  B 500 ( 4.9A)
1.05A20.28
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.
4KM0_A_CP6A201_1
(DIHYDROFOLATE
REDUCTASE)		4qx5 CGMP-DEPENDENT
PROTEIN KINASE 1
(Homo
sapiens)		5 / 10ILE A 264
ALA A 318
PHE A 305
ILE A 263
THR A 317
CMP  A 401 (-4.0A)
CMP  A 401 (-3.7A)
None
None
CMP  A 401 (-2.9A)
0.93A19.79
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.
4KM0_A_CP6A201_1
(DIHYDROFOLATE
REDUCTASE)		4xct MATRIX
METALLOPROTEINASE-9,
MATRIX
METALLOPROTEINASE-9
(Homo
sapiens)		5 / 10ILE A 166
ALA A 191
PHE A 228
LEU A 220
ILE A 168
None
1.08A23.81
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.
4KM0_A_CP6A201_1
(DIHYDROFOLATE
REDUCTASE)		4z07 CGMP-DEPENDENT
PROTEIN KINASE 1
(Homo
sapiens)		5 / 10ILE A 264
ALA A 318
PHE A 305
ILE A 263
THR A 317
PCG  A 402 ( 4.0A)
PCG  A 402 (-4.0A)
None
None
PCG  A 402 (-2.7A)
1.03A21.85
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.
4KM0_A_CP6A201_1
(DIHYDROFOLATE
REDUCTASE)		5c8w CGMP-DEPENDENT
PROTEIN KINASE 2
(Homo
sapiens)		5 / 10ILE A 196
ALA A 244
PHE A 231
ILE A 195
THR A 243
PCG  A 302 ( 4.1A)
PCG  A 302 (-3.8A)
None
None
PCG  A 302 ( 2.8A)
1.10A18.78
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.
4KM0_A_CP6A201_1
(DIHYDROFOLATE
REDUCTASE)		5hdh TOLL-LIKE RECEPTOR 8
(Homo
sapiens)		5 / 10ILE A 166
PHE A 197
THR A 190
LEU A 213
ILE A 161
None
1.29A13.16
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.
4KM0_A_CP6A201_1
(DIHYDROFOLATE
REDUCTASE)		5j48 CGMP-DEPENDENT
PROTEIN KINASE 1
(Homo
sapiens)		5 / 10ILE A 264
ALA A 318
PHE A 305
ILE A 263
THR A 317
6FW  A 404 (-3.5A)
6FW  A 404 (-3.2A)
None
None
6FW  A 404 ( 2.8A)
0.98A22.51
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.
4KM0_A_CP6A201_1
(DIHYDROFOLATE
REDUCTASE)		5th6 MATRIX
METALLOPROTEINASE-9,
MATRIX
METALLOPROTEINASE-9
(Homo
sapiens)		5 / 10ILE A 166
ALA A 191
PHE A 403
LEU A 395
ILE A 168
None
1.05A20.97
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.
4KM0_A_CP6A201_1
(DIHYDROFOLATE
REDUCTASE)		5w21 KLOTHO
(Homo
sapiens)		5 / 10ALA A 524
PHE A 519
LEU A 852
ILE A 895
TYR A 944
None
1.25A19.63
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.
4KM0_B_CP6B201_1
(DIHYDROFOLATE
REDUCTASE)		1imv PIGMENT
EPITHELIUM-DERIVED
FACTOR
(Homo
sapiens)		5 / 12ILE A 331
PHE A 124
LEU A 138
ILE A 326
THR A 334
None
1.12A19.35
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.
4KM0_B_CP6B201_1
(DIHYDROFOLATE
REDUCTASE)		1u71 DIHYDROFOLATE
REDUCTASE
(Homo
sapiens)		6 / 12ILE A   7
ALA A   9
PHE A  34
THR A  56
TYR A 121
THR A 136
MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
MXA  A 187 (-3.9A)
SO4  A 188 (-3.5A)
None
MXA  A 187 (-4.3A)
0.62A29.81
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.
4KM0_B_CP6B201_1
(DIHYDROFOLATE
REDUCTASE)		2hi4 CYTOCHROME P450 1A2
(Homo
sapiens)		5 / 12ALA A 230
ILE A 117
PHE A 256
LEU A 264
THR A 229
None
1.09A16.97
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.
4KM0_B_CP6B201_1
(DIHYDROFOLATE
REDUCTASE)		2oy4 NEUTROPHIL
COLLAGENASE
(Homo
sapiens)		5 / 12ILE A 138
ALA A 163
PHE A 199
LEU A 191
ILE A 140
None
1.04A18.09
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.
4KM0_B_CP6B201_1
(DIHYDROFOLATE
REDUCTASE)		2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens)		5 / 12ALA A 157
THR A 204
LEU A 208
ILE A 124
THR A  79
J60  A1294 ( 4.2A)
None
None
None
J60  A1294 ( 4.2A)
1.03A19.86
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.
4KM0_B_CP6B201_1
(DIHYDROFOLATE
REDUCTASE)		3ogj PRKG1 PROTEIN
(Homo
sapiens)		5 / 12ILE A 146
ALA A 194
PHE A 181
ILE A 145
THR A 193
CMP  A 250 ( 4.2A)
CMP  A 250 (-3.6A)
None
None
CMP  A 250 (-2.9A)
1.06A20.79
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.
4KM0_B_CP6B201_1
(DIHYDROFOLATE
REDUCTASE)		4fvl COLLAGENASE 3
(Homo
sapiens)		5 / 12ILE A 163
ALA A 188
PHE A 224
LEU A 216
ILE A 165
None
1.10A17.12
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.
4KM0_B_CP6B201_1
(DIHYDROFOLATE
REDUCTASE)		4nho PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX23
(Homo
sapiens)		5 / 12ILE A 473
ALA A 481
ILE A 503
LEU A 538
ILE A 472
None
None
None
None
HG  A 909 (-3.6A)
1.08A18.70
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.
4KM0_B_CP6B201_1
(DIHYDROFOLATE
REDUCTASE)		4o27 SERINE/THREONINE-PRO
TEIN KINASE 24
(Homo
sapiens)		5 / 12ALA B 161
THR B 208
LEU B 212
ILE B 128
THR B  83
None
None
None
None
ADP  B 500 ( 4.9A)
1.03A20.28
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.
4KM0_B_CP6B201_1
(DIHYDROFOLATE
REDUCTASE)		4qx5 CGMP-DEPENDENT
PROTEIN KINASE 1
(Homo
sapiens)		5 / 12ILE A 264
ALA A 318
PHE A 305
ILE A 263
THR A 317
CMP  A 401 (-4.0A)
CMP  A 401 (-3.7A)
None
None
CMP  A 401 (-2.9A)
0.94A19.79
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.
4KM0_B_CP6B201_1
(DIHYDROFOLATE
REDUCTASE)		4xct MATRIX
METALLOPROTEINASE-9,
MATRIX
METALLOPROTEINASE-9
(Homo
sapiens)		5 / 12ILE A 166
ALA A 191
PHE A 228
LEU A 220
ILE A 168
None
1.09A23.81
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.
4KM0_B_CP6B201_1
(DIHYDROFOLATE
REDUCTASE)		4ykn PHOSPHATIDYLINOSITOL
3-KINASE REGULATORY
SUBUNIT
ALPHA,PHOSPHATIDYLIN
OSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT ALPHA
ISOFORM FUSION
PROTEIN
(Homo
sapiens)		5 / 12ILE A1991
ALA A1907
ILE A1817
PHE A1998
ILE A1823
None
1.13A8.95
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.
4KM0_B_CP6B201_1
(DIHYDROFOLATE
REDUCTASE)		4z07 CGMP-DEPENDENT
PROTEIN KINASE 1
(Homo
sapiens)		5 / 12ILE A 264
ALA A 318
PHE A 305
ILE A 263
THR A 317
PCG  A 402 ( 4.0A)
PCG  A 402 (-4.0A)
None
None
PCG  A 402 (-2.7A)
1.03A21.85
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.
4KM0_B_CP6B201_1
(DIHYDROFOLATE
REDUCTASE)		5c8w CGMP-DEPENDENT
PROTEIN KINASE 2
(Homo
sapiens)		5 / 12ILE A 196
ALA A 244
PHE A 231
ILE A 195
THR A 243
PCG  A 302 ( 4.1A)
PCG  A 302 (-3.8A)
None
None
PCG  A 302 ( 2.8A)
1.09A18.78
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.
4KM0_B_CP6B201_1
(DIHYDROFOLATE
REDUCTASE)		5j48 CGMP-DEPENDENT
PROTEIN KINASE 1
(Homo
sapiens)		5 / 12ILE A 264
ALA A 318
PHE A 305
ILE A 263
THR A 317
6FW  A 404 (-3.5A)
6FW  A 404 (-3.2A)
None
None
6FW  A 404 ( 2.8A)
0.99A22.51
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.
4KM0_B_CP6B201_1
(DIHYDROFOLATE
REDUCTASE)		5th6 MATRIX
METALLOPROTEINASE-9,
MATRIX
METALLOPROTEINASE-9
(Homo
sapiens)		5 / 12ILE A 166
ALA A 191
PHE A 403
LEU A 395
ILE A 168
None
1.06A20.97
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.
6AOG_A_CP6A704_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		1u71 DIHYDROFOLATE
REDUCTASE
(Homo
sapiens)		6 / 10ALA A   9
PHE A  34
THR A  56
VAL A 115
TYR A 121
THR A 136
MXA  A 187 (-3.6A)
MXA  A 187 (-3.9A)
SO4  A 188 (-3.5A)
MXA  A 187 (-4.3A)
None
MXA  A 187 (-4.3A)
0.32A29.75
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.
6AOG_A_CP6A704_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		2iuw ALKYLATED REPAIR
PROTEIN ALKB HOMOLOG
3
(Homo
sapiens)		5 / 10VAL A 188
ASP A 193
THR A 133
MET A 148
TYR A 181
None
FE  A 500 ( 2.6A)
LED  A 177 ( 4.3A)
None
AKG  A 700 (-4.1A)
1.35A14.29
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.
6AOG_B_CP6B704_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		1u71 DIHYDROFOLATE
REDUCTASE
(Homo
sapiens)		6 / 10ALA A   9
PHE A  34
THR A  56
VAL A 115
TYR A 121
THR A 136
MXA  A 187 (-3.6A)
MXA  A 187 (-3.9A)
SO4  A 188 (-3.5A)
MXA  A 187 (-4.3A)
None
MXA  A 187 (-4.3A)
0.35A29.75
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.
6AOG_B_CP6B704_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		2iuw ALKYLATED REPAIR
PROTEIN ALKB HOMOLOG
3
(Homo
sapiens)		5 / 10VAL A 188
ASP A 193
THR A 133
MET A 148
TYR A 181
None
FE  A 500 ( 2.6A)
LED  A 177 ( 4.3A)
None
AKG  A 700 (-4.1A)
1.40A14.29