SIMILAR PATTERNS OF AMINO ACIDS FOR 1HVY_D_D16D417_1

List of similar pattern of amino acids derived from ASSAM search

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 link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. 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.
1bs0 PROTEIN
(8-AMINO-7-OXONANOAT
E SYNTHASE)

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		5 ILE A 283
ASP A  48
GLY A 239
PHE A 238
ALA A 367
 None
 1.08A 1hvyD-1bs0A:
0.0		 1hvyD-1bs0A:
21.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1bsf THYMIDYLATE SYNTHASE
A

(Bacillus
subtilis) 		PF00303
(Thymidylat_synt) 		6 GLU A  71
ASP A 184
LEU A 187
GLY A 188
PHE A 191
TYR A 224
 None
 0.80A 1hvyD-1bsfA:
31.6		 1hvyD-1bsfA:
37.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1bsf THYMIDYLATE SYNTHASE
A

(Bacillus
subtilis) 		PF00303
(Thymidylat_synt) 		5 GLU A  71
ILE A  93
ASP A 184
LEU A 187
TYR A 224
 None
 1.12A 1hvyD-1bsfA:
31.6		 1hvyD-1bsfA:
37.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)

(Pneumocystis
carinii) 		PF00303
(Thymidylat_synt) 		9 GLU A  65
ILE A  86
ASN A  90
LEU A 170
ASP A 202
LEU A 205
GLY A 206
PHE A 209
TYR A 242
 CB3  A 768 ( 4.0A)
CB3  A 768 (-3.6A)
CB3  A 768 (-3.8A)
UMP  A 767 (-4.7A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.67A 1hvyD-1ci7A:
43.7		 1hvyD-1ci7A:
60.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)

(Pneumocystis
carinii) 		PF00303
(Thymidylat_synt) 		9 GLU A  65
ILE A  86
TRP A  87
ASN A  90
LEU A 170
ASP A 202
LEU A 205
PHE A 209
TYR A 242
 CB3  A 768 ( 4.0A)
CB3  A 768 (-3.6A)
None
CB3  A 768 (-3.8A)
UMP  A 767 (-4.7A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.71A 1hvyD-1ci7A:
43.7		 1hvyD-1ci7A:
60.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)

(Pneumocystis
carinii) 		PF00303
(Thymidylat_synt) 		8 GLU A  65
ILE A  86
TRP A  87
ASN A  90
LEU A 170
PHE A 209
TYR A 242
MET A 295
 CB3  A 768 ( 4.0A)
CB3  A 768 (-3.6A)
None
CB3  A 768 (-3.8A)
UMP  A 767 (-4.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.83A 1hvyD-1ci7A:
43.7		 1hvyD-1ci7A:
60.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1j3j BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00303
(Thymidylat_synt) 		7 GLU C 382
ILE C 403
ASN C 407
ASP C 513
LEU C 516
GLY C 517
TYR C 553
 None
None
None
UMP  C 611 (-4.9A)
None
UMP  C 611 (-3.5A)
UMP  C 611 (-4.9A)
 0.85A 1hvyD-1j3jC:
41.1		 1hvyD-1j3jC:
48.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1j3j BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00303
(Thymidylat_synt) 		5 GLU C 382
ILE C 403
TRP C 404
ASN C 407
LEU C 487
 None
 0.78A 1hvyD-1j3jC:
41.1		 1hvyD-1j3jC:
48.78
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.
1lkd BIPHENYL-2,3-DIOL
1,2-DIOXYGENASE

(Paraburkholderia
xenovorans) 		PF00903
(Glyoxalase) 		5 GLU A 260
LEU A 144
GLY A 145
MET A   9
ALA A  63
 FE2  A 500 ( 2.8A)
None
None
None
None
 1.04A 1hvyD-1lkdA:
0.0		 1hvyD-1lkdA:
20.62
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.
1pui PROBABLE GTP-BINDING
PROTEIN ENGB

(Escherichia
coli) 		PF01926
(MMR_HSR1) 		5 ILE A  18
LEU A 109
LEU A  99
GLY A 100
ALA A  32
 None
 0.86A 1hvyD-1puiA:
0.0		 1hvyD-1puiA:
22.41
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.
1qnr ENDO-1,4-B-D-MANNANA
SE

(Trichoderma
reesei) 		PF00150
(Cellulase) 		5 GLU A 275
ILE A 107
LEU A 166
ASP A 236
LEU A 199
 None
 1.13A 1hvyD-1qnrA:
0.0		 1hvyD-1qnrA:
19.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tis THYMIDYLATE SYNTHASE

(Escherichia
virus T4) 		PF00303
(Thymidylat_synt) 		5 ASP A 179
LEU A 182
GLY A 183
PHE A 186
TYR A 219
 None
 0.94A 1hvyD-1tisA:
30.6		 1hvyD-1tisA:
43.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tis THYMIDYLATE SYNTHASE

(Escherichia
virus T4) 		PF00303
(Thymidylat_synt) 		5 GLU A  58
ASN A  90
GLY A 183
PHE A 186
TYR A 219
 None
 1.07A 1hvyD-1tisA:
30.6		 1hvyD-1tisA:
43.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tis THYMIDYLATE SYNTHASE

(Escherichia
virus T4) 		PF00303
(Thymidylat_synt) 		5 GLU A  58
ASP A 179
GLY A 183
PHE A 186
TYR A 219
 None
 0.83A 1hvyD-1tisA:
30.6		 1hvyD-1tisA:
43.23
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.
1v5f PYRUVATE OXIDASE

(Aerococcus
viridans) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ILE A  97
LEU A  89
LEU A  71
GLY A  72
ALA A 148
 None
 1.11A 1hvyD-1v5fA:
undetectable		 1hvyD-1v5fA:
17.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ytk NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE FROM
THERMOPLASMA
ACIDOPHILUM

(Thermoplasma
acidophilum) 		PF01729
(QRPTase_C) 		5 LEU A  64
LEU A 110
GLY A 111
MET A 305
ALA A  42
 None
 1.03A 1hvyD-1ytkA:
undetectable		 1hvyD-1ytkA:
21.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2aaz THYMIDYLATE SYNTHASE

(Cryptococcus
neoformans) 		PF00303
(Thymidylat_synt) 		10 GLU A  79
ILE A 100
TRP A 101
ASN A 104
LEU A 184
ASP A 219
LEU A 222
GLY A 223
TYR A 259
MET A 315
 CB3  A2351 (-3.2A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 (-3.7A)
None
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 ( 4.3A)
CB3  A2351 (-3.4A)
 0.64A 1hvyD-2aazA:
undetectable		 1hvyD-2aazA:
61.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2aaz THYMIDYLATE SYNTHASE

(Cryptococcus
neoformans) 		PF00303
(Thymidylat_synt) 		10 ILE A 100
TRP A 101
ASN A 104
LEU A 184
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
MET A 315
 CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 (-3.7A)
None
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
CB3  A2351 (-3.4A)
 0.90A 1hvyD-2aazA:
undetectable		 1hvyD-2aazA:
61.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 GLU A 295
ILE A 316
ASN A 320
ASP A 426
GLY A 430
PHE A 433
TYR A 466
 None
None
None
None
DU  A 611 (-3.5A)
None
DU  A 611 (-4.6A)
 0.58A 1hvyD-2h2qA:
40.0		 1hvyD-2h2qA:
42.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 GLU A 295
ILE A 316
ASP A 426
LEU A 429
GLY A 430
PHE A 433
TYR A 466
 None
None
None
None
DU  A 611 (-3.5A)
None
DU  A 611 (-4.6A)
 0.71A 1hvyD-2h2qA:
40.0		 1hvyD-2h2qA:
42.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 GLU A 295
ILE A 316
TRP A 317
ASN A 320
LEU A 400
PHE A 433
 None
 0.70A 1hvyD-2h2qA:
40.0		 1hvyD-2h2qA:
42.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		10 GLU A 294
ILE A 315
TRP A 316
ASN A 319
LEU A 399
ASP A 426
LEU A 429
GLY A 430
TYR A 466
MET A 519
 CB3  A 604 ( 3.8A)
CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 4.3A)
None
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 3.5A)
 0.74A 1hvyD-2oipA:
44.3		 1hvyD-2oipA:
34.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		10 GLU A 294
ILE A 315
TRP A 316
LEU A 399
ASP A 426
LEU A 429
GLY A 430
TYR A 466
MET A 519
ALA A 520
 CB3  A 604 ( 3.8A)
CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
None
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 3.5A)
CB3  A 604 ( 4.0A)
 0.63A 1hvyD-2oipA:
44.3		 1hvyD-2oipA:
34.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ILE A 315
ASN A 319
LEU A 399
ASP A 426
GLY A 430
PHE A 433
TYR A 466
MET A 519
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.3A)
None
CB3  A 604 ( 3.9A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 3.5A)
 1.19A 1hvyD-2oipA:
44.3		 1hvyD-2oipA:
34.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ILE A 315
LEU A 399
ASP A 426
GLY A 430
PHE A 433
TYR A 466
MET A 519
ALA A 520
 CB3  A 604 ( 3.7A)
None
CB3  A 604 ( 3.9A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 3.5A)
CB3  A 604 ( 4.0A)
 1.05A 1hvyD-2oipA:
44.3		 1hvyD-2oipA:
34.27
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.
2po4 VIRION RNA
POLYMERASE

(Escherichia
virus N4) 		no annotation 5 ILE A1045
LEU A1050
LEU A 576
GLY A 575
ALA A1084
 None
 1.11A 1hvyD-2po4A:
undetectable		 1hvyD-2po4A:
13.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2tdd THYMIDYLATE SYNTHASE

(Lactobacillus
casei) 		PF00303
(Thymidylat_synt) 		5 ASP A 221
LEU A 224
GLY A 225
PHE A 228
TYR A 261
 UFP  A 529 (-4.7A)
THF  A 568 (-3.6A)
UFP  A 529 ( 4.0A)
THF  A 568 (-4.8A)
UFP  A 529 (-4.7A)
 0.70A 1hvyD-2tddA:
34.9		 1hvyD-2tddA:
44.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2tdd THYMIDYLATE SYNTHASE

(Lactobacillus
casei) 		PF00303
(Thymidylat_synt) 		5 GLU A  60
ASP A 221
LEU A 224
GLY A 225
TYR A 261
 None
UFP  A 529 (-4.7A)
THF  A 568 (-3.6A)
UFP  A 529 ( 4.0A)
UFP  A 529 (-4.7A)
 0.67A 1hvyD-2tddA:
34.9		 1hvyD-2tddA:
44.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2tdd THYMIDYLATE SYNTHASE

(Lactobacillus
casei) 		PF00303
(Thymidylat_synt) 		6 GLU A  60
ILE A  81
LEU A 195
ASP A 221
GLY A 225
TYR A 261
 None
THF  A 568 ( 4.8A)
THF  A 568 (-4.6A)
UFP  A 529 (-4.7A)
UFP  A 529 ( 4.0A)
UFP  A 529 (-4.7A)
 0.81A 1hvyD-2tddA:
34.9		 1hvyD-2tddA:
44.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2tdd THYMIDYLATE SYNTHASE

(Lactobacillus
casei) 		PF00303
(Thymidylat_synt) 		6 ILE A  81
LEU A 195
ASP A 221
GLY A 225
PHE A 228
TYR A 261
 THF  A 568 ( 4.8A)
THF  A 568 (-4.6A)
UFP  A 529 (-4.7A)
UFP  A 529 ( 4.0A)
THF  A 568 (-4.8A)
UFP  A 529 (-4.7A)
 1.13A 1hvyD-2tddA:
34.9		 1hvyD-2tddA:
44.92
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.
2w2i 2-OXOGLUTARATE
OXYGENASE

(Homo sapiens) 		PF02373
(JmjC)
PF02375
(JmjN) 		5 GLU A 119
LEU A 251
GLY A 279
PHE A 280
ALA A 244
 None
 1.02A 1hvyD-2w2iA:
undetectable		 1hvyD-2w2iA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wed PENICILLOPEPSIN

(Penicillium
janthinellum) 		PF00026
(Asp) 		5 LEU A 271
ASP A 300
GLY A 299
PHE A 298
TYR A  17
 None
 0.98A 1hvyD-2wedA:
undetectable		 1hvyD-2wedA:
19.89
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.
2z2m PENICILLIN-BINDING
PROTEIN 2X

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 ILE A  87
LEU A 200
ASP B 313
GLY A 191
PHE A 193
 None
 1.01A 1hvyD-2z2mA:
undetectable		 1hvyD-2z2mA:
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.
3emy TRICHODERMA REESEI
ASPARTIC PROTEASE

(Trichoderma
reesei) 		PF00026
(Asp) 		5 LEU A 272
ASP A 304
GLY A 303
PHE A 302
TYR A  14
 None
 1.01A 1hvyD-3emyA:
undetectable		 1hvyD-3emyA:
19.76
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.
3f85 HOMO TRIMERIC FUSION
OF CFA/I FIMBRIAL
SUBUNITS B

(Escherichia
coli) 		PF04449
(Fimbrial_CS1) 		5 GLU A 386
ASP A 437
LEU A 434
GLY A 435
ALA A 270
 None
 1.12A 1hvyD-3f85A:
undetectable		 1hvyD-3f85A:
20.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kgb THYMIDYLATE SYNTHASE
1/2

(Encephalitozoon
cuniculi) 		PF00303
(Thymidylat_synt) 		6 GLU A  67
ASP A 197
LEU A 200
GLY A 201
PHE A 204
TYR A 237
 None
 0.91A 1hvyD-3kgbA:
36.9		 1hvyD-3kgbA:
58.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ASN A 310
LEU A 390
ASP A 416
GLY A 420
PHE A 423
TYR A 456
MET A 509
 GOL  A 516 (-3.7A)
None
None
None
None
None
GOL  A 516 (-4.0A)
 1.19A 1hvyD-3kjrA:
44.3		 1hvyD-3kjrA:
51.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		9 GLU A 285
ILE A 306
TRP A 307
ASN A 310
LEU A 390
ASP A 416
LEU A 419
GLY A 420
TYR A 456
 GOL  A 516 (-3.2A)
GOL  A 516 (-3.9A)
GOL  A 516 (-3.7A)
GOL  A 516 (-3.7A)
None
None
None
None
None
 0.78A 1hvyD-3kjrA:
44.3		 1hvyD-3kjrA:
51.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		9 GLU A 285
TRP A 307
ASN A 310
LEU A 390
ASP A 416
LEU A 419
GLY A 420
TYR A 456
MET A 509
 GOL  A 516 (-3.2A)
GOL  A 516 (-3.7A)
GOL  A 516 (-3.7A)
None
None
None
None
None
GOL  A 516 (-4.0A)
 0.85A 1hvyD-3kjrA:
44.3		 1hvyD-3kjrA:
51.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ILE A 306
ASN A 310
LEU A 390
ASP A 416
GLY A 420
PHE A 423
TYR A 456
 GOL  A 516 (-3.9A)
GOL  A 516 (-3.7A)
None
None
None
None
None
 1.02A 1hvyD-3kjrA:
44.3		 1hvyD-3kjrA:
51.27
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.
3u7i FMN-DEPENDENT
NADH-AZOREDUCTASE 1

(Bacillus
anthracis) 		PF02525
(Flavodoxin_2) 		5 ILE A   6
LEU A 110
PHE A  24
TYR A 179
MET A 141
 None
 1.04A 1hvyD-3u7iA:
undetectable		 1hvyD-3u7iA:
22.41
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 GLU A 382
ILE A 403
ASN A 407
ASP A 513
LEU A 516
GLY A 517
TYR A 553
 None
None
None
UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.84A 1hvyD-3um6A:
41.2		 1hvyD-3um6A:
28.65
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 GLU A 382
ILE A 403
ASN A 407
LEU A 487
GLY A 517
 None
None
None
None
UMP  A 611 (-3.3A)
 0.96A 1hvyD-3um6A:
41.2		 1hvyD-3um6A:
28.65
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 GLU A 382
ILE A 403
TRP A 404
ASN A 407
LEU A 487
 None
 0.83A 1hvyD-3um6A:
41.2		 1hvyD-3um6A:
28.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3v8h THYMIDYLATE SYNTHASE

(Burkholderia
thailandensis) 		PF00303
(Thymidylat_synt) 		7 GLU A  58
ASN A  83
ASP A 217
LEU A 220
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
None
None
CIT  A 400 (-4.5A)
 0.62A 1hvyD-3v8hA:
35.0		 1hvyD-3v8hA:
36.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3v8h THYMIDYLATE SYNTHASE

(Burkholderia
thailandensis) 		PF00303
(Thymidylat_synt) 		6 GLU A  58
ASN A  83
LEU A 189
GLY A 221
PHE A 224
TYR A 257
 None
None
CIT  A 400 (-4.3A)
None
None
CIT  A 400 (-4.5A)
 0.71A 1hvyD-3v8hA:
35.0		 1hvyD-3v8hA:
36.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3v8h THYMIDYLATE SYNTHASE

(Burkholderia
thailandensis) 		PF00303
(Thymidylat_synt) 		5 GLU A  58
TRP A  80
ASN A  83
LEU A 189
PHE A 224
 None
None
None
CIT  A 400 (-4.3A)
None
 0.74A 1hvyD-3v8hA:
35.0		 1hvyD-3v8hA:
36.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3v8h THYMIDYLATE SYNTHASE

(Burkholderia
thailandensis) 		PF00303
(Thymidylat_synt) 		6 GLU A 228
ASP A 217
LEU A 220
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
None
CIT  A 400 (-4.5A)
 1.32A 1hvyD-3v8hA:
35.0		 1hvyD-3v8hA:
36.09
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.
3w3a V-TYPE ATP SYNTHASE
SUBUNIT D
V-TYPE ATP SYNTHASE
SUBUNIT F

(Thermus
thermophilus) 		PF01813
(ATP-synt_D)
PF01990
(ATP-synt_F) 		5 GLU H  49
LEU H  72
GLY H  88
MET G  47
ALA G  46
 None
 0.94A 1hvyD-3w3aH:
undetectable		 1hvyD-3w3aH:
16.20
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.
3wfl BETA-MANNANASE

(Talaromyces
trachyspermus) 		PF00150
(Cellulase) 		5 GLU A 308
ILE A 139
LEU A 198
ASP A 269
LEU A 231
 None
 1.13A 1hvyD-3wflA:
undetectable		 1hvyD-3wflA:
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.
3ziz GH5
ENDO-BETA-1,4-MANNAN
ASE

(Podospora
anserina) 		PF00150
(Cellulase) 		5 GLU A 275
ILE A 107
LEU A 166
ASP A 236
LEU A 199
 None
 1.12A 1hvyD-3zizA:
undetectable		 1hvyD-3zizA:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4awe ENDO-BETA-D-1,4-MANN
ANASE

(Neurospora
sitophila) 		PF00150
(Cellulase) 		5 GLU A 300
ILE A 118
LEU A 178
ASP A 261
LEU A 223
 None
 1.09A 1hvyD-4aweA:
undetectable		 1hvyD-4aweA:
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.
4b8x POSSIBLE
MARR-TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF12802
(MarR_2) 		5 LEU A 134
ASP A  47
LEU A  43
GLY A  44
ALA A  58
 None
 1.11A 1hvyD-4b8xA:
undetectable		 1hvyD-4b8xA:
20.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cw4 BETA-KETOACYL
SYNTHASE

(Pseudomonas
aeruginosa) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 LEU A 177
ASP A 196
GLY A  12
TYR A 580
ALA A 584
 None
 1.03A 1hvyD-4cw4A:
undetectable		 1hvyD-4cw4A:
18.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dq1 THYMIDYLATE SYNTHASE

(Staphylococcus
aureus) 		PF00303
(Thymidylat_synt) 		6 GLU A  63
ASP A 224
LEU A 227
GLY A 228
PHE A 231
TYR A 264
 None
None
None
UMP  A 501 ( 4.0A)
None
UMP  A 501 (-4.2A)
 0.57A 1hvyD-4dq1A:
34.7		 1hvyD-4dq1A:
45.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dq1 THYMIDYLATE SYNTHASE

(Staphylococcus
aureus) 		PF00303
(Thymidylat_synt) 		6 GLU A  63
ILE A  84
LEU A 198
ASP A 224
PHE A 231
TYR A 264
 None
None
None
None
None
UMP  A 501 (-4.2A)
 0.94A 1hvyD-4dq1A:
34.7		 1hvyD-4dq1A:
45.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dq1 THYMIDYLATE SYNTHASE

(Staphylococcus
aureus) 		PF00303
(Thymidylat_synt) 		6 GLU A  63
LEU A 198
ASP A 224
LEU A 227
PHE A 231
TYR A 264
 None
None
None
None
None
UMP  A 501 (-4.2A)
 0.77A 1hvyD-4dq1A:
34.7		 1hvyD-4dq1A:
45.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4fog THYMIDYLATE SYNTHASE

(Mycobacterium
tuberculosis) 		PF00303
(Thymidylat_synt) 		7 GLU A  58
ILE A  79
TRP A  80
LEU A 143
ASP A 169
GLY A 173
TYR A 209
 None
C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 (-4.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 ( 4.6A)
 0.55A 1hvyD-4fogA:
38.3		 1hvyD-4fogA:
50.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4fog THYMIDYLATE SYNTHASE

(Mycobacterium
tuberculosis) 		PF00303
(Thymidylat_synt) 		6 ILE A  79
LEU A 143
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 C2F  A 302 (-3.3A)
C2F  A 302 (-4.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
C2F  A 302 ( 4.6A)
 0.83A 1hvyD-4fogA:
38.3		 1hvyD-4fogA:
50.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h0u THYMIDYLATE SYNTHASE

(Corynebacterium
glutamicum) 		PF00303
(Thymidylat_synt) 		5 GLU A  61
ASP A 172
LEU A 175
GLY A 176
TYR A 212
 None
None
None
UMP  A 301 (-3.6A)
UMP  A 301 (-4.5A)
 0.53A 1hvyD-4h0uA:
36.6		 1hvyD-4h0uA:
47.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h0u THYMIDYLATE SYNTHASE

(Corynebacterium
glutamicum) 		PF00303
(Thymidylat_synt) 		5 GLU A  61
ILE A  82
ASP A 172
GLY A 176
TYR A 212
 None
None
None
UMP  A 301 (-3.6A)
UMP  A 301 (-4.5A)
 0.63A 1hvyD-4h0uA:
36.6		 1hvyD-4h0uA:
47.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4iqq THYMIDYLATE SYNTHASE

(Caenorhabditis
elegans) 		PF00303
(Thymidylat_synt) 		7 GLU A  89
ILE A 110
ASN A 114
LEU A 194
LEU A 223
GLY A 224
PHE A 227
 None
D16  A 402 (-4.0A)
None
None
D16  A 402 (-3.7A)
D16  A 402 ( 3.1A)
D16  A 402 (-3.2A)
 0.84A 1hvyD-4iqqA:
42.3		 1hvyD-4iqqA:
62.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4iqq THYMIDYLATE SYNTHASE

(Caenorhabditis
elegans) 		PF00303
(Thymidylat_synt) 		7 GLU A  89
ILE A 110
ASN A 114
LEU A 223
GLY A 224
PHE A 227
TYR A 260
 None
D16  A 402 (-4.0A)
None
D16  A 402 (-3.7A)
D16  A 402 ( 3.1A)
D16  A 402 (-3.2A)
D16  A 402 ( 4.2A)
 0.73A 1hvyD-4iqqA:
42.3		 1hvyD-4iqqA:
62.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4iqq THYMIDYLATE SYNTHASE

(Caenorhabditis
elegans) 		PF00303
(Thymidylat_synt) 		7 GLU A  89
ILE A 110
ASP A 220
LEU A 223
GLY A 224
PHE A 227
TYR A 260
 None
D16  A 402 (-4.0A)
D16  A 402 ( 4.0A)
D16  A 402 (-3.7A)
D16  A 402 ( 3.1A)
D16  A 402 (-3.2A)
D16  A 402 ( 4.2A)
 0.70A 1hvyD-4iqqA:
42.3		 1hvyD-4iqqA:
62.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4iqq THYMIDYLATE SYNTHASE

(Caenorhabditis
elegans) 		PF00303
(Thymidylat_synt) 		7 GLU A  89
ILE A 110
TRP A 111
ASN A 114
LEU A 194
LEU A 223
PHE A 227
 None
D16  A 402 (-4.0A)
None
None
None
D16  A 402 (-3.7A)
D16  A 402 (-3.2A)
 0.94A 1hvyD-4iqqA:
42.3		 1hvyD-4iqqA:
62.22
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.
4irn PROLYL-ACP
DEHYDROGENASE

([Oscillatoria]
sp. PCC 6506) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 LEU A  76
ASP A  82
GLY A  84
PHE A  87
ALA A  41
 None
None
None
FAD  A 400 (-4.9A)
None
 1.03A 1hvyD-4irnA:
undetectable		 1hvyD-4irnA:
19.86
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.
4m29 BETA-XYLOSIDASE

(Caulobacter
vibrioides) 		PF01229
(Glyco_hydro_39) 		5 TRP A  83
LEU A 136
LEU A  69
GLY A  70
ALA A  63
 None
 1.09A 1hvyD-4m29A:
undetectable		 1hvyD-4m29A:
21.91
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.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Pisum sativum) 		PF00223
(PsaA_PsaB) 		5 TRP B 582
ASN B 585
LEU B 434
GLY B 430
TYR B 437
 CLA  A9012 ( 3.5A)
CLA  A9012 (-3.7A)
CLA  A9012 ( 3.9A)
CLA  A9013 (-3.4A)
CLA  B9010 (-4.6A)
 0.89A 1hvyD-4rkuB:
undetectable		 1hvyD-4rkuB:
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.
4u8u LINKER L1

(Glossoscolex
paulistus) 		PF16915
(Eryth_link_C) 		5 ILE M 208
LEU M 214
LEU M 180
GLY M 181
TYR M 170
 None
 1.07A 1hvyD-4u8uM:
undetectable		 1hvyD-4u8uM:
20.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xsc THYMIDYLATE SYNTHASE

(Human
alphaherpesvirus
3) 		PF00303
(Thymidylat_synt) 		7 GLU A  75
ILE A  96
ASP A 206
LEU A 209
GLY A 210
PHE A 213
TYR A 246
 1PE  A1002 ( 4.4A)
1PE  A1002 (-4.6A)
None
None
BVP  A1001 (-3.4A)
1PE  A1002 (-3.8A)
BVP  A1001 (-4.5A)
 0.53A 1hvyD-4xscA:
40.7		 1hvyD-4xscA:
64.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xsc THYMIDYLATE SYNTHASE

(Human
alphaherpesvirus
3) 		PF00303
(Thymidylat_synt) 		7 GLU A  75
ILE A  96
LEU A 180
LEU A 209
GLY A 210
PHE A 213
TYR A 246
 1PE  A1002 ( 4.4A)
1PE  A1002 (-4.6A)
BVP  A1001 ( 4.5A)
None
BVP  A1001 (-3.4A)
1PE  A1002 (-3.8A)
BVP  A1001 (-4.5A)
 0.74A 1hvyD-4xscA:
40.7		 1hvyD-4xscA:
64.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xsc THYMIDYLATE SYNTHASE

(Human
alphaherpesvirus
3) 		PF00303
(Thymidylat_synt) 		5 GLU A  75
ILE A  96
TRP A  97
LEU A 180
PHE A 213
 1PE  A1002 ( 4.4A)
1PE  A1002 (-4.6A)
1PE  A1002 (-4.7A)
BVP  A1001 ( 4.5A)
1PE  A1002 (-3.8A)
 0.74A 1hvyD-4xscA:
40.7		 1hvyD-4xscA:
64.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z7r COENZYME PQQ
SYNTHESIS PROTEIN B

(Methylobacterium
extorquens) 		PF12706
(Lactamase_B_2) 		5 ILE A 250
TRP A 288
LEU A 213
ASP A 216
GLY A 217
 None
 0.96A 1hvyD-4z7rA:
undetectable		 1hvyD-4z7rA:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii) 		PF00275
(EPSP_synthase) 		5 ILE A 637
LEU A 720
GLY A 719
PHE A 698
ALA A 745
 None
 1.12A 1hvyD-5bs5A:
undetectable		 1hvyD-5bs5A:
21.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5by6 THYMIDYLATE SYNTHASE

(Trichinella
spiralis) 		PF00303
(Thymidylat_synt) 		6 GLU A  81
ASP A 212
LEU A 215
GLY A 216
PHE A 219
TYR A 252
 DTT  A 402 (-3.0A)
None
None
UMP  A 401 (-3.5A)
DTT  A 402 ( 4.1A)
UMP  A 401 (-4.6A)
 0.70A 1hvyD-5by6A:
42.3		 1hvyD-5by6A:
64.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5by6 THYMIDYLATE SYNTHASE

(Trichinella
spiralis) 		PF00303
(Thymidylat_synt) 		6 GLU A  81
ILE A 102
ASN A 106
GLY A 216
PHE A 219
TYR A 252
 DTT  A 402 (-3.0A)
DTT  A 402 ( 4.3A)
None
UMP  A 401 (-3.5A)
DTT  A 402 ( 4.1A)
UMP  A 401 (-4.6A)
 0.76A 1hvyD-5by6A:
42.3		 1hvyD-5by6A:
64.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5by6 THYMIDYLATE SYNTHASE

(Trichinella
spiralis) 		PF00303
(Thymidylat_synt) 		6 GLU A  81
ILE A 102
ASP A 212
GLY A 216
PHE A 219
TYR A 252
 DTT  A 402 (-3.0A)
DTT  A 402 ( 4.3A)
None
UMP  A 401 (-3.5A)
DTT  A 402 ( 4.1A)
UMP  A 401 (-4.6A)
 0.75A 1hvyD-5by6A:
42.3		 1hvyD-5by6A:
64.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5by6 THYMIDYLATE SYNTHASE

(Trichinella
spiralis) 		PF00303
(Thymidylat_synt) 		6 GLU A  81
ILE A 102
TRP A 103
ASN A 106
LEU A 186
PHE A 219
 DTT  A 402 (-3.0A)
DTT  A 402 ( 4.3A)
DTT  A 402 ( 4.1A)
None
None
DTT  A 402 ( 4.1A)
 0.87A 1hvyD-5by6A:
42.3		 1hvyD-5by6A:
64.17
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.
5eo7 PREDICTED PROTEIN

(Aspergillus
oryzae) 		PF07938
(Fungal_lectin) 		6 GLU A 275
TRP A 271
ASN A  19
LEU A  24
LEU A 278
ALA A 267
 None
None
None
SFU  A 405 ( 4.1A)
None
None
 1.40A 1hvyD-5eo7A:
undetectable		 1hvyD-5eo7A:
24.14
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.
5eo9 CG32791, ISOFORM A

(Drosophila
melanogaster) 		PF07679
(I-set)
PF13927
(Ig_3) 		5 ILE B 135
LEU B 109
GLY B 120
PHE B 137
ALA B  82
 None
None
None
NAG  B 901 ( 4.6A)
None
 1.00A 1hvyD-5eo9B:
undetectable		 1hvyD-5eo9B:
19.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5h3a ORF70

(Human
gammaherpesvirus
8) 		PF00303
(Thymidylat_synt) 		7 GLU A 111
ILE A 132
ASN A 136
LEU A 216
GLY A 246
PHE A 249
TYR A 282
 D16  A 401 ( 4.7A)
D16  A 401 ( 4.0A)
None
None
D16  A 401 ( 3.2A)
D16  A 401 (-3.4A)
UMP  A 402 (-4.5A)
 0.73A 1hvyD-5h3aA:
43.1		 1hvyD-5h3aA:
71.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5h3a ORF70

(Human
gammaherpesvirus
8) 		PF00303
(Thymidylat_synt) 		6 GLU A 111
ILE A 132
ASP A 242
GLY A 246
PHE A 249
TYR A 282
 D16  A 401 ( 4.7A)
D16  A 401 ( 4.0A)
D16  A 401 ( 4.0A)
D16  A 401 ( 3.2A)
D16  A 401 (-3.4A)
UMP  A 402 (-4.5A)
 0.56A 1hvyD-5h3aA:
43.1		 1hvyD-5h3aA:
71.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5h3a ORF70

(Human
gammaherpesvirus
8) 		PF00303
(Thymidylat_synt) 		6 GLU A 111
ILE A 132
TRP A 133
ASN A 136
LEU A 216
PHE A 249
 D16  A 401 ( 4.7A)
D16  A 401 ( 4.0A)
None
None
None
D16  A 401 (-3.4A)
 0.69A 1hvyD-5h3aA:
43.1		 1hvyD-5h3aA:
71.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j6b ALDEHYDE
DEHYDROGENASE

(Burkholderia
thailandensis) 		PF00171
(Aldedh) 		5 TRP A 235
LEU A 454
LEU A 407
GLY A 406
PHE A 405
 None
 1.10A 1hvyD-5j6bA:
undetectable		 1hvyD-5j6bA:
17.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5j7w THYMIDYLATE SYNTHASE

(Enterococcus
faecalis) 		PF00303
(Thymidylat_synt) 		6 GLU A  59
ASP A 220
LEU A 223
GLY A 224
PHE A 227
TYR A 260
 None
 0.59A 1hvyD-5j7wA:
34.6		 1hvyD-5j7wA:
48.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5j7w THYMIDYLATE SYNTHASE

(Enterococcus
faecalis) 		PF00303
(Thymidylat_synt) 		6 GLU A  59
ILE A  80
ASP A 220
LEU A 223
PHE A 227
TYR A 260
 None
 0.85A 1hvyD-5j7wA:
34.6		 1hvyD-5j7wA:
48.77
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.
5jo7 VETISPIRADIENE
SYNTHASE 1

(Hyoscyamus
muticus) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 GLU A 146
LEU A 183
GLY A 181
PHE A 178
ALA A 187
 None
 0.96A 1hvyD-5jo7A:
undetectable		 1hvyD-5jo7A:
20.22
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.
5jry NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Burkholderia
multivorans) 		PF00171
(Aldedh) 		5 TRP A 235
LEU A 454
LEU A 407
GLY A 406
PHE A 405
 None
GOL  A 502 (-3.9A)
NDP  A 500 ( 4.8A)
None
None
 1.10A 1hvyD-5jryA:
undetectable		 1hvyD-5jryA:
18.53
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.
5jzd ISOCHORISMATE
SYNTHASE ENTC

(Escherichia
coli) 		PF00425
(Chorismate_bind) 		5 ILE A  78
LEU A 200
ASP A  47
GLY A  46
PHE A  53
 None
 1.12A 1hvyD-5jzdA:
undetectable		 1hvyD-5jzdA:
21.03
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.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Synechocystis
sp. PCC 6803) 		no annotation 5 TRP b 579
ASN b 582
LEU b 432
GLY b 428
TYR b 435
 None
None
CLA  b1806 (-4.3A)
None
CLA  b1806 ( 4.4A)
 0.98A 1hvyD-5oy0b:
undetectable		 1hvyD-5oy0b:
15.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		11 GLU A 381
ILE A 402
TRP A 403
ASN A 406
LEU A 486
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
ALA A 609
 CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.57A 1hvyD-5t0lA:
45.2		 1hvyD-5t0lA:
57.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		11 GLU A 381
ILE A 402
TRP A 403
LEU A 486
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
MET A 608
ALA A 609
 CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
CB3  A 703 (-3.8A)
 0.60A 1hvyD-5t0lA:
45.2		 1hvyD-5t0lA:
57.19
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.
5weo GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT
CHIMERA

(Mus musculus;
Rattus
norvegicus) 		PF00060
(Lig_chan)
PF00822
(PMP22_Claudin)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		5 ILE A1121
LEU A1011
GLY A1193
PHE A1141
MET A1199
 None
 1.13A 1hvyD-5weoA:
undetectable		 1hvyD-5weoA:
14.65
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.
5y09 PROTEASE DO-LIKE 9

(Arabidopsis
thaliana) 		no annotation 5 ILE A 314
LEU A 267
ASP A 222
GLY A 221
PHE A 220
 None
 0.91A 1hvyD-5y09A:
undetectable		 1hvyD-5y09A:
19.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6auj THYMIDYLATE SYNTHASE

(Elizabethkingia
anophelis) 		PF00303
(Thymidylat_synt) 		5 GLU A  66
ILE A  87
GLY A 181
PHE A 184
TYR A 217
 PGE  A 301 (-4.1A)
PGE  A 301 ( 4.2A)
PGE  A 301 ( 4.0A)
PGE  A 301 (-3.7A)
None
 0.88A 1hvyD-6aujA:
33.5		 1hvyD-6aujA:
51.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6auj THYMIDYLATE SYNTHASE

(Elizabethkingia
anophelis) 		PF00303
(Thymidylat_synt) 		5 GLU A  66
ILE A  87
TRP A  88
LEU A 151
PHE A 184
 PGE  A 301 (-4.1A)
PGE  A 301 ( 4.2A)
PGE  A 301 (-3.5A)
None
PGE  A 301 (-3.7A)
 0.73A 1hvyD-6aujA:
33.5		 1hvyD-6aujA:
51.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6cdz THYMIDYLATE SYNTHASE

(Escherichia
coli) 		no annotation 8 GLU A  58
ILE A  79
LEU A 143
ASP A 169
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 0.75A 1hvyD-6cdzA:
37.6		 1hvyD-6cdzA:
48.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6cdz THYMIDYLATE SYNTHASE

(Escherichia
coli) 		no annotation 6 GLU A  58
ILE A  79
TRP A  80
LEU A 143
LEU A 172
PHE A 176
 CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
None
None
CB3  A 701 (-3.5A)
CB3  A 701 (-3.8A)
 0.71A 1hvyD-6cdzA:
37.6		 1hvyD-6cdzA:
48.81
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.
6f8y THREONYLCARBAMOYL-AM
P SYNTHASE

(Pyrococcus
abyssi) 		no annotation 5 ILE A 169
LEU A 131
LEU A  39
GLY A  38
ALA A  41
 None
None
None
THR  A 401 (-3.4A)
None
 1.13A 1hvyD-6f8yA:
undetectable		 1hvyD-6f8yA:
15.59