SIMILAR PATTERNS OF AMINO ACIDS FOR 1HVY_A_D16A414_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.
1am5 PEPSIN

(Gadus morhua) 		PF00026
(Asp) 		5 ASP A 303
LEU A 306
GLY A 302
PHE A 301
TYR A  14
 None
 1.16A 1hvyA-1am5A:
0.0		 1hvyA-1am5A:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.10A 1hvyA-1bs0A:
0.0		 1hvyA-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) 		5 GLU A  71
ASP A 184
GLY A 188
PHE A 191
TYR A 224
 None
 0.64A 1hvyA-1bsfA:
31.5		 1hvyA-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 PHE A  58
GLU A  65
ILE A  86
ASN A  90
ASP A 202
LEU A 205
GLY A 206
PHE A 209
TYR A 242
 CB3  A 768 (-3.6A)
CB3  A 768 ( 4.0A)
CB3  A 768 (-3.6A)
CB3  A 768 (-3.8A)
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)
 0.65A 1hvyA-1ci7A:
12.5		 1hvyA-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 PHE A  58
GLU A  65
ILE A  86
TRP A  87
ASN A  90
ASP A 202
GLY A 206
PHE A 209
TYR A 242
 CB3  A 768 (-3.6A)
CB3  A 768 ( 4.0A)
CB3  A 768 (-3.6A)
None
CB3  A 768 (-3.8A)
CB3  A 768 ( 3.6A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.68A 1hvyA-1ci7A:
12.5		 1hvyA-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 PHE A  58
GLU A  65
ILE A  86
TRP A  87
ASN A  90
PHE A 209
TYR A 242
MET A 295
 CB3  A 768 (-3.6A)
CB3  A 768 ( 4.0A)
CB3  A 768 (-3.6A)
None
CB3  A 768 (-3.8A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.77A 1hvyA-1ci7A:
12.5		 1hvyA-1ci7A:
60.94
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.
1hkk CHITOTRIOSIDASE-1

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		5 GLU A 169
ILE A 124
LEU A 135
GLY A 134
ALA A  59
 None
 1.16A 1hvyA-1hkkA:
0.0		 1hvyA-1hkkA:
21.77
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.
1ize ASPARTIC PROTEINASE

(Aspergillus
oryzae) 		PF00026
(Asp) 		5 ASP A 300
LEU A 303
GLY A 299
PHE A 298
TYR A  17
 None
 1.16A 1hvyA-1izeA:
0.0		 1hvyA-1izeA:
20.29
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
ASP C 513
LEU C 516
GLY C 517
TYR C 553
 None
UMP  C 611 (-4.9A)
None
UMP  C 611 (-3.5A)
UMP  C 611 (-4.9A)
 0.71A 1hvyA-1j3jC:
12.2		 1hvyA-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) 		6 GLU C 382
ILE C 403
ASN C 407
ASP C 513
GLY C 517
TYR C 553
 None
None
None
UMP  C 611 (-4.9A)
UMP  C 611 (-3.5A)
UMP  C 611 (-4.9A)
 0.75A 1hvyA-1j3jC:
12.2		 1hvyA-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.
1pjm IMPORTIN ALPHA-2
SUBUNIT

(Mus musculus) 		PF00514
(Arm)
PF16186
(Arm_3) 		5 GLU B 306
ILE B 309
LEU B 302
GLY B 303
ALA B 355
 None
 1.16A 1hvyA-1pjmB:
undetectable		 1hvyA-1pjmB:
22.98
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
 1.08A 1hvyA-1tisA:
30.6		 1hvyA-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) 		6 GLU A  58
ASN A  90
ASP A 179
GLY A 183
PHE A 186
TYR A 219
 None
 1.09A 1hvyA-1tisA:
30.6		 1hvyA-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.
1ub7 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
SYNTHASE

(Thermus
thermophilus) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 ILE A 252
ASN A 276
GLY A 211
PHE A 215
ALA A 308
 None
CSO  A 110 ( 4.4A)
None
None
CSO  A 110 ( 4.4A)
 1.23A 1hvyA-1ub7A:
undetectable		 1hvyA-1ub7A:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v6t HYPOTHETICAL UPF0271
PROTEIN PH0986

(Pyrococcus
horikoshii) 		PF03746
(LamB_YcsF) 		5 GLU A  81
LEU A 133
GLY A 131
MET A 156
ALA A 153
 None
 1.09A 1hvyA-1v6tA:
undetectable		 1hvyA-1v6tA:
22.04
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.
1vf8 SECRETORY PROTEIN

(Mus musculus) 		PF00704
(Glyco_hydro_18) 		5 GLU A 148
ILE A 103
LEU A 114
GLY A 113
ALA A  38
 None
 1.12A 1hvyA-1vf8A:
undetectable		 1hvyA-1vf8A:
20.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wb0 CHITOTRIOSIDASE 1

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		5 GLU A 169
ILE A 124
LEU A 135
GLY A 134
ALA A  59
 None
 1.13A 1hvyA-1wb0A:
undetectable		 1hvyA-1wb0A:
18.64
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 PHE A  72
GLU A  79
ILE A 100
TRP A 101
ASN A 104
ASP A 219
LEU A 222
GLY A 223
TYR A 259
MET A 315
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.2A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 (-3.7A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 ( 4.3A)
CB3  A2351 (-3.4A)
 0.68A 1hvyA-2aazA:
undetectable		 1hvyA-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 PHE A  72
ILE A 100
TRP A 101
ASN A 104
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
MET A 315
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 (-3.7A)
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 1hvyA-2aazA:
undetectable		 1hvyA-2aazA:
61.92
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.
2cb1 O-ACETYL HOMOSERINE
SULFHYDRYLASE

(Thermus
thermophilus) 		PF01053
(Cys_Met_Meta_PP) 		5 ILE A 330
LEU A 185
GLY A 180
PHE A 179
ALA A 284
 None
 1.25A 1hvyA-2cb1A:
undetectable		 1hvyA-2cb1A:
21.56
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.
2d7s RNA-DEPENDENT RNA
POLYMERASE

(Foot-and-mouth
disease virus) 		PF00680
(RdRP_1) 		5 PHE A 226
ILE A 334
ASN A 311
ASP A 238
PHE A 230
 None
 1.16A 1hvyA-2d7sA:
undetectable		 1hvyA-2d7sA:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ebd 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Aquifex
aeolicus) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 ILE A 242
ASN A 266
LEU A 204
GLY A 201
PHE A 205
 None
 1.26A 1hvyA-2ebdA:
undetectable		 1hvyA-2ebdA:
22.70
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.
2ec4 FAS-ASSOCIATED
FACTOR 1

(Homo sapiens) 		no annotation 5 PHE A  35
TRP A  96
ASN A 103
ASP A  15
GLY A  14
 None
 1.10A 1hvyA-2ec4A:
undetectable		 1hvyA-2ec4A:
19.27
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) 		8 PHE A 288
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
None
DU  A 611 (-3.5A)
None
DU  A 611 (-4.6A)
 0.57A 1hvyA-2h2qA:
16.9		 1hvyA-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) 		8 PHE A 288
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
None
DU  A 611 (-3.5A)
None
DU  A 611 (-4.6A)
 0.81A 1hvyA-2h2qA:
16.9		 1hvyA-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 PHE A 288
GLU A 295
ILE A 316
TRP A 317
ASN A 320
PHE A 433
TYR A 466
 None
None
None
None
None
None
DU  A 611 (-4.6A)
 0.61A 1hvyA-2h2qA:
16.9		 1hvyA-2h2qA:
42.33
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.
2l26 UNCHARACTERIZED
PROTEIN
RV0899/MT0922

(Mycobacterium
tuberculosis) 		PF00691
(OmpA)
PF04972
(BON) 		5 GLU A 322
ILE A 223
ASN A 216
ASP A 228
GLY A 226
 None
 1.25A 1hvyA-2l26A:
undetectable		 1hvyA-2l26A:
22.91
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) 		9 GLU A 294
ILE A 315
TRP A 316
ASN A 319
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)
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)
 0.73A 1hvyA-2oipA:
19.7		 1hvyA-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) 		9 GLU A 294
ILE A 315
TRP A 316
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)
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)
 0.69A 1hvyA-2oipA:
19.7		 1hvyA-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
ASP A 426
LEU A 429
GLY A 430
PHE A 433
TYR A 466
MET A 519
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.3A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 3.5A)
 1.11A 1hvyA-2oipA:
19.7		 1hvyA-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
ASP A 426
LEU A 429
GLY A 430
PHE A 433
TYR A 466
MET A 519
ALA A 520
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
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)
 0.98A 1hvyA-2oipA:
19.7		 1hvyA-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.
2qgm SUCCINOGLYCAN
BIOSYNTHESIS PROTEIN

(Bacillus cereus) 		PF05139
(Erythro_esteras) 		5 ILE A 410
ASN A 307
GLY A  85
PHE A 348
TYR A 140
 None
 1.25A 1hvyA-2qgmA:
undetectable		 1hvyA-2qgmA:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r62 CELL DIVISION
PROTEASE FTSH
HOMOLOG

(Helicobacter
pylori) 		PF00004
(AAA) 		5 PHE A 232
ILE A 266
ASP A 269
GLY A 235
ALA A 316
 None
 1.10A 1hvyA-2r62A:
undetectable		 1hvyA-2r62A:
21.04
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)
 0.73A 1hvyA-2tddA:
35.1		 1hvyA-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
ILE A  81
ASP A 221
GLY A 225
TYR A 261
 None
THF  A 568 ( 4.8A)
UFP  A 529 (-4.7A)
UFP  A 529 ( 4.0A)
UFP  A 529 (-4.7A)
 0.77A 1hvyA-2tddA:
35.1		 1hvyA-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 ILE A  81
ASP A 221
GLY A 225
PHE A 228
TYR A 261
 THF  A 568 ( 4.8A)
UFP  A 529 (-4.7A)
UFP  A 529 ( 4.0A)
THF  A 568 (-4.8A)
UFP  A 529 (-4.7A)
 1.09A 1hvyA-2tddA:
35.1		 1hvyA-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.
2wed PENICILLOPEPSIN

(Penicillium
janthinellum) 		PF00026
(Asp) 		5 ASP A 300
LEU A 303
GLY A 299
PHE A 298
TYR A  17
 None
 1.18A 1hvyA-2wedA:
undetectable		 1hvyA-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.
2ybu ACIDIC MAMMALIAN
CHITINASE

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		5 GLU A 169
ILE A 124
LEU A 135
GLY A 134
ALA A  59
 None
 1.16A 1hvyA-2ybuA:
undetectable		 1hvyA-2ybuA:
21.67
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.
3cwq PARA FAMILY
CHROMOSOME
PARTITIONING PROTEIN

(Synechocystis
sp. PCC 6803) 		PF01656
(CbiA) 		5 GLU A 194
GLY A 156
PHE A 153
TYR A 160
ALA A 184
 None
 1.14A 1hvyA-3cwqA:
undetectable		 1hvyA-3cwqA:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3emy TRICHODERMA REESEI
ASPARTIC PROTEASE

(Trichoderma
reesei) 		PF00026
(Asp) 		5 ASP A 304
LEU A 307
GLY A 303
PHE A 302
TYR A  14
 None
 1.14A 1hvyA-3emyA:
undetectable		 1hvyA-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
 1.05A 1hvyA-3f85A:
undetectable		 1hvyA-3f85A:
20.78
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.
3fz4 PUTATIVE ARSENATE
REDUCTASE

(Streptococcus
mutans) 		PF03960
(ArsC) 		5 PHE A  56
ILE A  42
ASP A  88
LEU A  91
GLY A  89
 None
 1.26A 1hvyA-3fz4A:
undetectable		 1hvyA-3fz4A:
20.08
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.
3izq ELONGATION FACTOR 1
ALPHA-LIKE PROTEIN

(Saccharomyces
cerevisiae) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF08938
(HBS1_N) 		5 PHE 1 403
GLU 1 434
ILE 1 430
GLY 1 428
PHE 1 401
 None
 1.18A 1hvyA-3izq1:
undetectable		 1hvyA-3izq1:
18.31
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.
3k5h PHOSPHORIBOSYL-AMINO
IMIDAZOLE
CARBOXYLASE

(Aspergillus
clavatus) 		PF01262
(AlaDh_PNT_C)
PF02222
(ATP-grasp) 		5 PHE A 251
GLU A  75
ILE A 101
ASN A 103
LEU A 111
 None
MG  A 402 ( 3.8A)
None
None
None
 1.25A 1hvyA-3k5hA:
undetectable		 1hvyA-3k5hA:
21.69
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) 		7 PHE A  60
GLU A  67
ASP A 197
LEU A 200
GLY A 201
PHE A 204
TYR A 237
 None
 1.06A 1hvyA-3kgbA:
36.9		 1hvyA-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) 		8 GLU A 285
ILE A 306
TRP A 307
ASN A 310
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
 0.74A 1hvyA-3kjrA:
12.7		 1hvyA-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) 		6 ILE A 306
TRP A 307
ASN A 310
GLY A 420
PHE A 423
TYR A 456
 GOL  A 516 (-3.9A)
GOL  A 516 (-3.7A)
GOL  A 516 (-3.7A)
None
None
None
 0.98A 1hvyA-3kjrA:
12.7		 1hvyA-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 TRP A 307
ASN A 310
ASP A 416
LEU A 419
GLY A 420
TYR A 456
MET A 509
 GOL  A 516 (-3.7A)
GOL  A 516 (-3.7A)
None
None
None
None
GOL  A 516 (-4.0A)
 0.82A 1hvyA-3kjrA:
12.7		 1hvyA-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.
3ksd GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
1

(Staphylococcus
aureus) 		no annotation 5 PHE Q  18
GLY Q   9
PHE Q  10
TYR Q 100
ALA Q  80
 None
NAD  Q 337 (-3.4A)
None
None
None
 1.17A 1hvyA-3ksdQ:
undetectable		 1hvyA-3ksdQ:
21.29
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.
3mip MSO-8G

(synthetic
construct) 		PF00961
(LAGLIDADG_1) 		5 ILE A  61
GLY A  23
PHE A  18
TYR A  26
ALA A  45
 None
 1.22A 1hvyA-3mipA:
undetectable		 1hvyA-3mipA:
17.67
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.
3obi FORMYLTETRAHYDROFOLA
TE DEFORMYLASE

(Rhodopseudomonas
palustris) 		PF00551
(Formyl_trans_N) 		5 PHE A 130
ILE A 121
ASP A 137
GLY A 136
PHE A 135
 None
 1.25A 1hvyA-3obiA:
undetectable		 1hvyA-3obiA:
19.48
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 GLU A 382
ASN A 407
ASP A 513
LEU A 516
GLY A 517
TYR A 553
 None
None
UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.81A 1hvyA-3um6A:
18.5		 1hvyA-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) 		6 GLU A 382
ILE A 403
ASN A 407
ASP A 513
GLY A 517
TYR A 553
 None
None
None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.75A 1hvyA-3um6A:
18.5		 1hvyA-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) 		6 GLU A  58
ASN A  83
ASP A 217
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
None
CIT  A 400 (-4.5A)
 0.61A 1hvyA-3v8hA:
34.6		 1hvyA-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
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)
 0.71A 1hvyA-3v8hA:
34.6		 1hvyA-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
PHE A 224
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 0.73A 1hvyA-3v8hA:
34.6		 1hvyA-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.
3wtb PUTATIVE
OXIDOREDUCTASE

(Gluconobacter
oxydans) 		PF13561
(adh_short_C2) 		5 ILE A 200
ASP A 238
LEU A 241
GLY A 183
ALA A 205
 None
 1.26A 1hvyA-3wtbA:
undetectable		 1hvyA-3wtbA:
18.67
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.
3ziz GH5
ENDO-BETA-1,4-MANNAN
ASE

(Podospora
anserina) 		PF00150
(Cellulase) 		5 GLU A 205
LEU A 209
GLY A 208
PHE A 207
ALA A 264
 None
 1.26A 1hvyA-3zizA:
undetectable		 1hvyA-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.
4ay2 PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX58

(Homo sapiens) 		PF00271
(Helicase_C)
PF04851
(ResIII)
PF11648
(RIG-I_C-RD) 		5 GLU A 483
LEU A 552
GLY A 505
PHE A 504
ALA A 563
 None
 1.23A 1hvyA-4ay2A:
undetectable		 1hvyA-4ay2A:
16.98
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)
 0.71A 1hvyA-4dq1A:
35.1		 1hvyA-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) 		5 GLU A  63
ILE A  84
ASP A 224
PHE A 231
TYR A 264
 None
None
None
None
UMP  A 501 (-4.2A)
 0.81A 1hvyA-4dq1A:
35.1		 1hvyA-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) 		6 GLU A  58
ILE A  79
TRP A  80
ASP A 169
GLY A 173
TYR A 209
 None
C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 ( 4.6A)
 0.45A 1hvyA-4fogA:
38.0		 1hvyA-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
TRP A  80
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
C2F  A 302 ( 4.6A)
 0.81A 1hvyA-4fogA:
38.0		 1hvyA-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
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)
 0.60A 1hvyA-4h0uA:
36.6		 1hvyA-4h0uA:
47.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ha4 BETA-GALACTOSIDASE

(Acidilobus
saccharovorans) 		PF00232
(Glyco_hydro_1) 		5 ILE A 463
LEU A  76
GLY A  12
PHE A  11
ALA A  70
 None
 1.24A 1hvyA-4ha4A:
undetectable		 1hvyA-4ha4A:
18.59
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) 		8 GLU A  89
ILE A 110
ASN A 114
ASP A 220
LEU A 223
GLY A 224
PHE A 227
TYR A 260
 None
D16  A 402 (-4.0A)
None
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)
 0.77A 1hvyA-4iqqA:
12.9		 1hvyA-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) 		5 GLU A  89
ILE A 110
TRP A 111
ASN A 114
PHE A 227
 None
D16  A 402 (-4.0A)
None
None
D16  A 402 (-3.2A)
 0.68A 1hvyA-4iqqA:
12.9		 1hvyA-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.
4is2 BILE ACID 3-ALPHA
HYDROXYSTEROID
DEHYDROGENASE

([Clostridium]
scindens) 		PF00106
(adh_short) 		5 PHE A  62
ILE A  10
GLY A  13
PHE A  36
ALA A  21
 None
 1.15A 1hvyA-4is2A:
undetectable		 1hvyA-4is2A:
20.94
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.
4p5y GLYCOSYL HYDROLASE,
FAMILY
31/FIBRONECTIN TYPE
III DOMAIN PROTEIN

(Clostridium
perfringens) 		PF00754
(F5_F8_type_C) 		5 ASN A  81
LEU A  77
GLY A 122
TYR A  76
ALA A 154
 None
 1.18A 1hvyA-4p5yA:
undetectable		 1hvyA-4p5yA:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 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)
 0.97A 1hvyA-4rkuB:
undetectable		 1hvyA-4rkuB:
17.09
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) 		8 PHE A  68
GLU A  75
ILE A  96
ASP A 206
LEU A 209
GLY A 210
PHE A 213
TYR A 246
 None
1PE  A1002 ( 4.4A)
1PE  A1002 (-4.6A)
None
None
BVP  A1001 (-3.4A)
1PE  A1002 (-3.8A)
BVP  A1001 (-4.5A)
 0.63A 1hvyA-4xscA:
40.7		 1hvyA-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) 		6 PHE A  68
GLU A  75
ILE A  96
TRP A  97
PHE A 213
TYR A 246
 None
1PE  A1002 ( 4.4A)
1PE  A1002 (-4.6A)
1PE  A1002 (-4.7A)
1PE  A1002 (-3.8A)
BVP  A1001 (-4.5A)
 0.75A 1hvyA-4xscA:
40.7		 1hvyA-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.
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
 1.18A 1hvyA-5bs5A:
undetectable		 1hvyA-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) 		5 PHE A  74
ASP A 212
LEU A 215
GLY A 216
TYR A 252
 None
None
None
UMP  A 401 (-3.5A)
UMP  A 401 (-4.6A)
 0.76A 1hvyA-5by6A:
13.0		 1hvyA-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) 		8 PHE A  74
GLU A  81
ILE A 102
ASN A 106
ASP A 212
GLY A 216
PHE A 219
TYR A 252
 None
DTT  A 402 (-3.0A)
DTT  A 402 ( 4.3A)
None
None
UMP  A 401 (-3.5A)
DTT  A 402 ( 4.1A)
UMP  A 401 (-4.6A)
 0.76A 1hvyA-5by6A:
13.0		 1hvyA-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 PHE A  74
GLU A  81
ILE A 102
TRP A 103
ASN A 106
PHE A 219
 None
DTT  A 402 (-3.0A)
DTT  A 402 ( 4.3A)
DTT  A 402 ( 4.1A)
None
DTT  A 402 ( 4.1A)
 0.56A 1hvyA-5by6A:
13.0		 1hvyA-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.
5dfa BETA-GALACTOSIDASE

(Geobacillus
stearothermophilus) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		5 PHE A 389
ASN A  23
GLY A 375
TYR A 287
ALA A 323
 None
None
None
GOL  A 703 (-4.8A)
GOL  A 703 ( 4.7A)
 1.17A 1hvyA-5dfaA:
undetectable		 1hvyA-5dfaA:
17.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dly PLANTAZOLICIN
METHYLTRANSFERASE
BAML

(Bacillus
velezensis) 		PF13847
(Methyltransf_31) 		5 PHE A 134
ILE A 143
ASN A 116
ASP A  91
GLY A  68
 None
None
None
SAH  A 301 (-2.8A)
SAH  A 301 (-3.6A)
 1.13A 1hvyA-5dlyA:
undetectable		 1hvyA-5dlyA:
19.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5es2 UNCHARACTERIZED
PROTEIN LPG0634

(Legionella
pneumophila) 		PF16848
(SoDot-IcmSS) 		5 PHE A  75
LEU A 129
GLY A 128
TYR A 168
ALA A 164
 None
 1.23A 1hvyA-5es2A:
undetectable		 1hvyA-5es2A:
20.09
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.
5h1z PUTATIVE CYP ALKANE
HYDROXYLASE
CYP153D17

(Sphingomonas
sp. PAMC 26605) 		PF00067
(p450) 		5 GLU A 363
ILE A 286
GLY A 350
PHE A 349
ALA A 323
 None
HEM  A 501 ( 4.6A)
HEM  A 501 (-3.3A)
HEM  A 501 (-4.4A)
None
 1.21A 1hvyA-5h1zA:
undetectable		 1hvyA-5h1zA:
20.75
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) 		8 PHE A 104
GLU A 111
ILE A 132
ASN A 136
ASP A 242
GLY A 246
PHE A 249
TYR A 282
 D16  A 401 (-3.6A)
D16  A 401 ( 4.7A)
D16  A 401 ( 4.0A)
None
D16  A 401 ( 4.0A)
D16  A 401 ( 3.2A)
D16  A 401 (-3.4A)
UMP  A 402 (-4.5A)
 0.76A 1hvyA-5h3aA:
21.0		 1hvyA-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 PHE A 104
GLU A 111
ILE A 132
TRP A 133
ASN A 136
PHE A 249
 D16  A 401 (-3.6A)
D16  A 401 ( 4.7A)
D16  A 401 ( 4.0A)
None
None
D16  A 401 (-3.4A)
 0.63A 1hvyA-5h3aA:
21.0		 1hvyA-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.
5hct ENDOTHIAPEPSIN

(Cryphonectria
parasitica) 		PF00026
(Asp) 		5 ASP A 307
LEU A 310
GLY A 306
PHE A 305
TYR A  17
 None
 1.22A 1hvyA-5hctA:
undetectable		 1hvyA-5hctA:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ine PRE-GLYCOPROTEIN
POLYPROTEIN GP
COMPLEX

(Lymphocytic
choriomeningitis
mammarenavirus) 		PF00798
(Arena_glycoprot) 		5 ILE A 351
ASN A 348
GLY A 246
PHE A 245
ALA A 253
 None
 1.11A 1hvyA-5ineA:
undetectable		 1hvyA-5ineA:
21.08
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
 0.74A 1hvyA-5j7wA:
34.8		 1hvyA-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) 		5 GLU A  59
ILE A  80
ASP A 220
PHE A 227
TYR A 260
 None
 0.84A 1hvyA-5j7wA:
34.8		 1hvyA-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.
5j9g GLYCERALDEHYDE-3-P
DEHYDROGENASE

(Lactobacillus
acidophilus) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 PHE A  18
GLY A   9
PHE A  10
TYR A 105
ALA A  84
 None
 1.20A 1hvyA-5j9gA:
undetectable		 1hvyA-5j9gA:
22.95
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.
5j9g GLYCERALDEHYDE-3-P
DEHYDROGENASE

(Lactobacillus
acidophilus) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 PHE A  18
ILE A  36
PHE A  10
TYR A 105
ALA A  84
 None
 1.24A 1hvyA-5j9gA:
undetectable		 1hvyA-5j9gA:
22.95
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.
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
 1.02A 1hvyA-5jo7A:
undetectable		 1hvyA-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.
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)
 1.05A 1hvyA-5oy0b:
undetectable		 1hvyA-5oy0b:
15.33
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.
5p60 ENDOTHIAPEPSIN

(Cryphonectria
parasitica) 		PF00026
(Asp) 		5 ASP A 307
LEU A 310
GLY A 306
PHE A 305
TYR A  17
 None
 1.22A 1hvyA-5p60A:
undetectable		 1hvyA-5p60A:
18.48
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 PHE A 374
GLU A 381
ILE A 402
TRP A 403
ASN A 406
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
ALA A 609
 None
CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
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)
 0.53A 1hvyA-5t0lA:
19.8		 1hvyA-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 PHE A 374
GLU A 381
ILE A 402
TRP A 403
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
MET A 608
ALA A 609
 None
CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
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)
 0.56A 1hvyA-5t0lA:
19.8		 1hvyA-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.
5vbf NAD-DEPENDENT
SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE

(Burkholderia
vietnamiensis) 		PF00171
(Aldedh) 		5 GLU A 450
GLY A 445
TYR A 418
MET A 438
ALA A 416
 None
 1.27A 1hvyA-5vbfA:
undetectable		 1hvyA-5vbfA:
20.21
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
ASP A 177
GLY A 181
PHE A 184
TYR A 217
 PGE  A 301 (-4.1A)
None
PGE  A 301 ( 4.0A)
PGE  A 301 (-3.7A)
None
 0.84A 1hvyA-6aujA:
33.5		 1hvyA-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
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
 0.86A 1hvyA-6aujA:
33.5		 1hvyA-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 7 GLU A  58
ILE A  79
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)
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)
 0.47A 1hvyA-6cdzA:
37.6		 1hvyA-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 5 GLU A  58
ILE A  79
TRP A  80
LEU A 172
PHE A 176
 CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
None
CB3  A 701 (-3.5A)
CB3  A 701 (-3.8A)
 0.70A 1hvyA-6cdzA:
37.6		 1hvyA-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.
6ekv TOXIN COMPLEX
COMPONENT ORF-X2

(Clostridium
botulinum) 		no annotation 5 PHE A 146
ILE A 153
ASN A 158
PHE A 118
TYR A  10
 None
 1.24A 1hvyA-6ekvA:
undetectable		 1hvyA-6ekvA:
16.53