SIMILAR PATTERNS OF AMINO ACIDS FOR 1HVY_B_D16B415

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
 1.17A 1hvyB-1am5A:
0.0		 1hvyB-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
 1.15A 1hvyB-1bs0A:
0.0		 1hvyB-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
 0.69A 1hvyB-1bsfA:
31.4		 1hvyB-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) 		8 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 ( 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)
 0.69A 1hvyB-1ci7A:
43.5		 1hvyB-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) 		7 GLU A  65
ILE A  86
TRP A  87
ASN A  90
ASP A 202
PHE A 209
TYR A 242
 CB3  A 768 ( 4.0A)
CB3  A 768 (-3.6A)
None
CB3  A 768 (-3.8A)
CB3  A 768 ( 3.6A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.69A 1hvyB-1ci7A:
43.5		 1hvyB-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) 		7 GLU A  65
ILE A  86
TRP A  87
ASN A  90
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)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.83A 1hvyB-1ci7A:
43.5		 1hvyB-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.
1iq7 OVOTRANSFERRIN

(Gallus gallus) 		PF00405
(Transferrin) 		5 ILE A 665
ASN A 473
ASP A 659
GLY A 658
PHE A 661
 None
NAG  A 705 (-2.8A)
None
None
None
 1.27A 1hvyB-1iq7A:
0.0		 1hvyB-1iq7A:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.17A 1hvyB-1izeA:
0.0		 1hvyB-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) 		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)
 0.80A 1hvyB-1j3jC:
41.0		 1hvyB-1j3jC:
48.78
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
 1.13A 1hvyB-1tisA:
30.6		 1hvyB-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)
 1.22A 1hvyB-1ub7A:
undetectable		 1hvyB-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
 1.11A 1hvyB-1v6tA:
undetectable		 1hvyB-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
 1.19A 1hvyB-1vf8A:
undetectable		 1hvyB-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.
1wch PROTEIN TYROSINE
PHOSPHATASE,
NON-RECEPTOR TYPE 13

(Homo sapiens) 		PF00102
(Y_phosphatase) 		5 GLU A2236
ASN A2241
LEU A2256
GLY A2261
ALA A2265
 None
 1.31A 1hvyB-1wchA:
undetectable		 1hvyB-1wchA:
22.42
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
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
MET A 315
 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 (-3.8A)
CB3  A2351 ( 4.3A)
CB3  A2351 (-3.4A)
 0.82A 1hvyB-2aazA:
undetectable		 1hvyB-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.
2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA

(Escherichia
coli) 		PF02233
(PNTB) 		5 GLU C  22
ILE C 145
ASP C 174
GLY C 173
ALA C  46
 None
None
NAP  C1001 (-2.4A)
None
None
 1.19A 1hvyB-2bruC:
undetectable		 1hvyB-2bruC:
17.05
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.
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
 1.21A 1hvyB-2cb1A:
undetectable		 1hvyB-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.
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
 1.30A 1hvyB-2ebdA:
undetectable		 1hvyB-2ebdA:
22.70
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)
 0.62A 1hvyB-2h2qA:
40.0		 1hvyB-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
PHE A 433
TYR A 466
 None
None
None
None
None
DU  A 611 (-4.6A)
 0.69A 1hvyB-2h2qA:
40.0		 1hvyB-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 ILE A 316
ASP A 426
LEU A 429
GLY A 430
PHE A 433
TYR A 466
 None
None
None
DU  A 611 (-3.5A)
None
DU  A 611 (-4.6A)
 0.87A 1hvyB-2h2qA:
40.0		 1hvyB-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
 1.26A 1hvyB-2l26A:
undetectable		 1hvyB-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
ASN A 319
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 ( 4.3A)
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)
CB3  A 604 ( 4.0A)
 0.74A 1hvyB-2oipA:
44.2		 1hvyB-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
ASN A 319
ASP A 426
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 ( 4.3A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 3.5A)
CB3  A 604 ( 4.0A)
 0.69A 1hvyB-2oipA:
44.2		 1hvyB-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 ILE A 315
ASN A 319
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 ( 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)
CB3  A 604 ( 4.0A)
 1.01A 1hvyB-2oipA:
44.2		 1hvyB-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
 1.23A 1hvyB-2qgmA:
undetectable		 1hvyB-2qgmA:
19.87
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)
 0.71A 1hvyB-2tddA:
35.0		 1hvyB-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)
 0.80A 1hvyB-2tddA:
35.0		 1hvyB-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)
 1.03A 1hvyB-2tddA:
35.0		 1hvyB-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
 1.20A 1hvyB-2wedA:
undetectable		 1hvyB-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.
2zxh TRNA URIDINE
5-CARBOXYMETHYLAMINO
METHYL MODIFICATION
ENZYME MNMG

(Aquifex
aeolicus) 		PF01134
(GIDA)
PF13932
(GIDA_assoc) 		5 ILE A 392
ASN A 397
LEU A 464
GLY A 459
MET A  29
 None
 1.30A 1hvyB-2zxhA:
undetectable		 1hvyB-2zxhA:
16.35
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.
3aqu AT4G19810

(Arabidopsis
thaliana) 		PF00704
(Glyco_hydro_18) 		5 GLU A 141
ILE A 100
LEU A 111
GLY A 110
ALA A  33
 None
 1.31A 1hvyB-3aquA:
undetectable		 1hvyB-3aquA:
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.
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
 1.12A 1hvyB-3cwqA:
undetectable		 1hvyB-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.
3dm5 SIGNAL RECOGNITION
54 KDA PROTEIN

(Pyrococcus
furiosus) 		PF00448
(SRP54)
PF02881
(SRP54_N)
PF02978
(SRP_SPB) 		5 GLU A 282
ILE A 272
ASP A   4
LEU A   3
ALA A 253
 None
 1.33A 1hvyB-3dm5A:
undetectable		 1hvyB-3dm5A:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dtz PUTATIVE CHLORITE
DISMUTASE TA0507

(Thermoplasma
acidophilum) 		PF06778
(Chlor_dismutase) 		5 GLU A 109
ILE A   4
GLY A  43
MET A  71
ALA A  74
 None
 1.33A 1hvyB-3dtzA:
undetectable		 1hvyB-3dtzA:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.16A 1hvyB-3emyA:
undetectable		 1hvyB-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 1hvyB-3f85A:
undetectable		 1hvyB-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.
3ga4 DOLICHYL-DIPHOSPHOOL
IGOSACCHARIDE-PROTEI
N
GLYCOSYLTRANSFERASE
SUBUNIT OST6

(Saccharomyces
cerevisiae) 		PF04756
(OST3_OST6) 		5 ILE A 150
ASN A 152
GLY A 144
PHE A 146
ALA A  76
 None
None
None
EDO  A 182 ( 4.9A)
None
 1.23A 1hvyB-3ga4A:
undetectable		 1hvyB-3ga4A:
20.07
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.
3k11 PUTATIVE GLYCOSYL
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF07470
(Glyco_hydro_88) 		5 ILE A 198
ASP A 223
LEU A 164
GLY A 227
ALA A 210
 None
 1.31A 1hvyB-3k11A:
undetectable		 1hvyB-3k11A:
21.06
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
 1.06A 1hvyB-3kgbA:
37.1		 1hvyB-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 GLU A 285
ASN A 310
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)
None
None
None
None
GOL  A 516 (-4.0A)
 0.78A 1hvyB-3kjrA:
44.3		 1hvyB-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 GLU A 285
ASN A 310
LEU A 419
GLY A 420
PHE A 423
TYR A 456
MET A 509
 GOL  A 516 (-3.2A)
GOL  A 516 (-3.7A)
None
None
None
None
GOL  A 516 (-4.0A)
 1.01A 1hvyB-3kjrA:
44.3		 1hvyB-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 GLU A 285
ILE A 306
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)
None
None
None
None
 0.69A 1hvyB-3kjrA:
44.3		 1hvyB-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 GLU A 285
ILE A 306
ASN A 310
LEU A 419
GLY A 420
PHE A 423
TYR A 456
 GOL  A 516 (-3.2A)
GOL  A 516 (-3.9A)
GOL  A 516 (-3.7A)
None
None
None
None
 0.85A 1hvyB-3kjrA:
44.3		 1hvyB-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 GLU A 285
ILE A 306
TRP A 307
ASN A 310
ASP A 416
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
 0.72A 1hvyB-3kjrA:
44.3		 1hvyB-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 GLU A 285
ILE A 306
TRP A 307
ASN A 310
GLY A 420
PHE A 423
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
 0.88A 1hvyB-3kjrA:
44.3		 1hvyB-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 GLU A 285
TRP A 307
ASN A 310
ASP A 416
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
GOL  A 516 (-4.0A)
 0.81A 1hvyB-3kjrA:
44.3		 1hvyB-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 GLU A 285
TRP A 307
ASN A 310
GLY A 420
PHE A 423
TYR A 456
MET A 509
 GOL  A 516 (-3.2A)
GOL  A 516 (-3.7A)
GOL  A 516 (-3.7A)
None
None
None
GOL  A 516 (-4.0A)
 1.05A 1hvyB-3kjrA:
44.3		 1hvyB-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.
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
 1.29A 1hvyB-3mipA:
undetectable		 1hvyB-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.
3rwx HYPOTHETICAL
BACTERIAL OUTER
MEMBRANE PROTEIN

(Bacteroides
fragilis) 		PF13944
(Calycin_like) 		5 LEU A 213
GLY A 214
PHE A 216
LYS A 268
ALA A 210
 None
None
None
MLY  A 267 ( 3.2A)
None
 1.22A 1hvyB-3rwxA:
undetectable		 1hvyB-3rwxA:
21.45
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.
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)
 0.80A 1hvyB-3um6A:
41.1		 1hvyB-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 1hvyB-3v8hA:
34.7		 1hvyB-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)
 0.75A 1hvyB-3v8hA:
34.7		 1hvyB-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)
 0.75A 1hvyB-3v8hA:
34.7		 1hvyB-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 228
ASP A 217
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 1.28A 1hvyB-3v8hA:
34.7		 1hvyB-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.
3vbj GALACTOSIDE
O-ACETYLTRANSFERASE

(Bacillus cereus) 		PF00132
(Hexapep) 		5 ILE A  24
LEU A  50
PHE A  15
TYR A  69
ALA A  67
 None
 1.30A 1hvyB-3vbjA:
undetectable		 1hvyB-3vbjA:
19.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vup BETA-1,4-MANNANASE

(Aplysia kurodai) 		PF00150
(Cellulase) 		5 ILE A  63
ASP A  34
GLY A  33
PHE A  32
ALA A  72
 None
 1.34A 1hvyB-3vupA:
undetectable		 1hvyB-3vupA:
20.75
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.
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
 1.15A 1hvyB-3wtbA:
undetectable		 1hvyB-3wtbA:
18.67
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
ASP A 224
GLY A 228
PHE A 231
TYR A 264
 None
None
UMP  A 501 ( 4.0A)
None
UMP  A 501 (-4.2A)
 0.63A 1hvyB-4dq1A:
34.9		 1hvyB-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)
 0.84A 1hvyB-4dq1A:
34.9		 1hvyB-4dq1A:
45.15
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.
4e69 2-DEHYDRO-3-DEOXYGLU
CONOKINASE

(Oceanicola
granulosus) 		PF00294
(PfkB) 		5 ILE A 276
ASP A 264
GLY A 261
PHE A 258
ALA A 268
 None
 1.12A 1hvyB-4e69A:
undetectable		 1hvyB-4e69A:
20.17
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.
4fas HYDROXYLAMINE
OXIDOREDUCTASE

(Nitrosomonas
europaea) 		PF13447
(Multi-haem_cyto) 		5 GLU A 417
LEU A 443
GLY A 422
TYR A 387
ALA A 446
 EDO  A 619 ( 4.8A)
None
None
None
None
 1.32A 1hvyB-4fasA:
undetectable		 1hvyB-4fasA:
18.95
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
ASP A 169
GLY A 173
PHE A 176
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 (-3.7A)
C2F  A 302 ( 4.6A)
 0.75A 1hvyB-4fogA:
38.1		 1hvyB-4fogA:
50.00
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.
4gtu GLUTATHIONE
S-TRANSFERASE

(Homo sapiens) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 ILE A 168
GLY A 215
TYR A 115
LYS A 123
ALA A 111
 None
 1.05A 1hvyB-4gtuA:
undetectable		 1hvyB-4gtuA:
22.03
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)
 0.62A 1hvyB-4h0uA:
36.5		 1hvyB-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) 		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)
 0.80A 1hvyB-4iqqA:
42.2		 1hvyB-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)
 0.72A 1hvyB-4iqqA:
42.2		 1hvyB-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.
4p6v NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT B
NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT C

(Vibrio cholerae) 		PF03116
(NQR2_RnfD_RnfE)
PF04205
(FMN_bind) 		5 ILE C 205
ASN C 229
GLY C 208
TYR B 378
ALA B 377
 None
 1.28A 1hvyB-4p6vC:
undetectable		 1hvyB-4p6vC:
21.12
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.
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)
 1.00A 1hvyB-4rkuB:
undetectable		 1hvyB-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.
4x0o 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3 PROTEIN 2

(Vibrio cholerae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 ILE A 257
ASN A 281
GLY A 216
PHE A 220
ALA A 313
 None
SCY  A 113 ( 3.7A)
None
None
SCY  A 113 ( 3.9A)
 1.35A 1hvyB-4x0oA:
undetectable		 1hvyB-4x0oA:
23.68
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 GLU A  75
ILE A  96
ASP A 206
GLY A 210
PHE A 213
TYR A 246
 1PE  A1002 ( 4.4A)
1PE  A1002 (-4.6A)
None
BVP  A1001 (-3.4A)
1PE  A1002 (-3.8A)
BVP  A1001 (-4.5A)
 0.57A 1hvyB-4xscA:
40.8		 1hvyB-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 ILE A  96
ASP A 206
LEU A 209
GLY A 210
PHE A 213
TYR A 246
 1PE  A1002 (-4.6A)
None
None
BVP  A1001 (-3.4A)
1PE  A1002 (-3.8A)
BVP  A1001 (-4.5A)
 0.68A 1hvyB-4xscA:
40.8		 1hvyB-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.
5aeb LRA-12

(uncultured
bacterium BLR12) 		PF00753
(Lactamase_B) 		5 GLU A  30
ASN A  35
GLY A  86
TYR A  54
ALA A 264
 None
 1.21A 1hvyB-5aebA:
undetectable		 1hvyB-5aebA:
20.07
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.
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 1hvyB-5bs5A:
undetectable		 1hvyB-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) 		7 GLU A  81
ILE A 102
ASN A 106
ASP A 212
GLY A 216
PHE A 219
TYR A 252
 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)
 0.83A 1hvyB-5by6A:
42.6		 1hvyB-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) 		5 GLU A  81
ILE A 102
TRP A 103
ASN A 106
PHE A 219
 DTT  A 402 (-3.0A)
DTT  A 402 ( 4.3A)
DTT  A 402 ( 4.1A)
None
DTT  A 402 ( 4.1A)
 0.60A 1hvyB-5by6A:
42.6		 1hvyB-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.
5dot CARBAMOYL-PHOSPHATE
SYNTHASE [AMMONIA],
MITOCHONDRIAL

(Homo sapiens) 		PF00117
(GATase)
PF00988
(CPSase_sm_chain)
PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3) 		5 GLU A 545
ASN A 698
ASP A 442
GLY A 510
ALA A 724
 None
 1.31A 1hvyB-5dotA:
undetectable		 1hvyB-5dotA:
11.15
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
ASP A 242
GLY A 246
PHE A 249
TYR A 282
 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)
 0.78A 1hvyB-5h3aA:
43.0		 1hvyB-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) 		5 GLU A 111
ILE A 132
TRP A 133
ASN A 136
PHE A 249
 D16  A 401 ( 4.7A)
D16  A 401 ( 4.0A)
None
None
D16  A 401 (-3.4A)
 0.64A 1hvyB-5h3aA:
43.0		 1hvyB-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.
5hc4 LIPOLYTIC ENZYME

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 GLU A 292
ILE A 220
GLY A 189
TYR A 104
ALA A 185
 None
None
TRS  A 402 (-4.1A)
None
None
 1.23A 1hvyB-5hc4A:
undetectable		 1hvyB-5hc4A:
19.58
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.21A 1hvyB-5hctA:
undetectable		 1hvyB-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
 1.15A 1hvyB-5ineA:
undetectable		 1hvyB-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
 0.82A 1hvyB-5j7wA:
34.7		 1hvyB-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
 0.85A 1hvyB-5j7wA:
34.7		 1hvyB-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.
5jd8 PERIPLASMIC SERINE
PEPTIDASE DEGS

(Yersinia pestis) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 GLU A 349
ASN A 123
LEU A 247
GLY A 251
ALA A 128
 None
 1.09A 1hvyB-5jd8A:
undetectable		 1hvyB-5jd8A:
22.59
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.
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
 1.07A 1hvyB-5jo7A:
undetectable		 1hvyB-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.
5lng PUTATIVE FML
FIMBRIAL ADHESIN
FMLD

(Escherichia
coli) 		PF09160
(FimH_man-bind) 		5 ILE A  55
ASN A  77
ASP A  96
GLY A  95
MET A 100
 None
 1.30A 1hvyB-5lngA:
undetectable		 1hvyB-5lngA:
19.44
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.
5m04 GTPASE OBGE/CGTA

(Escherichia
coli) 		PF01018
(GTP1_OBG)
PF01926
(MMR_HSR1) 		5 ILE A 214
LEU A 227
GLY A 228
PHE A 231
ALA A 221
 None
 1.23A 1hvyB-5m04A:
undetectable		 1hvyB-5m04A:
20.75
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.
5mrw POTASSIUM-TRANSPORTI
NG ATPASE KDPC
SUBUNIT
POTASSIUM-TRANSPORTI
NG ATPASE
POTASSIUM-BINDING
SUBUNIT

(Escherichia
coli) 		PF02669
(KdpC)
PF03814
(KdpA) 		5 GLU A 121
ASN A 239
GLY C 127
MET A 350
ALA A 349
 None
 1.16A 1hvyB-5mrwA:
undetectable		 1hvyB-5mrwA:
18.34
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.
5mtz RIBONUCLEASE Z

(Saccharomyces
cerevisiae) 		PF13691
(Lactamase_B_4) 		5 GLU A 587
ILE A 550
TRP A 583
GLY A  67
ALA A 543
 None
 1.35A 1hvyB-5mtzA:
undetectable		 1hvyB-5mtzA:
16.33
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.
5no5 ABYA5

(Verrucosispora) 		no annotation 5 ASP A 200
LEU A 199
GLY A 196
PHE A 195
ALA A 203
 None
 1.28A 1hvyB-5no5A:
undetectable		 1hvyB-5no5A:
11.76
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.
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)
 1.08A 1hvyB-5oy0b:
undetectable		 1hvyB-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 1hvyB-5p60A:
undetectable		 1hvyB-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) 		10 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
 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)
 0.48A 1hvyB-5t0lA:
45.3		 1hvyB-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) 		10 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
 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 1hvyB-5t0lA:
45.3		 1hvyB-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
 1.28A 1hvyB-5vbfA:
undetectable		 1hvyB-5vbfA:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vzt F-BOX ONLY PROTEIN
31

(Homo sapiens) 		no annotation 5 ILE B 145
ASN B 518
LEU B 160
GLY B 171
TYR B 174
 None
 1.27A 1hvyB-5vztB:
undetectable		 1hvyB-5vztB:
12.59
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)
 0.50A 1hvyB-6cdzA:
37.5		 1hvyB-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)
 0.74A 1hvyB-6cdzA:
37.5		 1hvyB-6cdzA:
48.81