SIMILAR PATTERNS OF AMINO ACIDS FOR 1HVY_C_D16C416_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
 1.15A 1hvyC-1am5A:
0.0		 1hvyC-1am5A:
20.86
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
 0.57A 1hvyC-1bsfA:
31.6		 1hvyC-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
GLY A 188
TYR A 224
 None
 0.97A 1hvyC-1bsfA:
31.6		 1hvyC-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) 		10 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
MET A 295
 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)
CB3  A 768 (-3.8A)
 0.73A 1hvyC-1ci7A:
12.6		 1hvyC-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) 		10 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
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)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.72A 1hvyC-1ci7A:
12.6		 1hvyC-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.
1f2d 1-AMINOCYCLOPROPANE-
1-CARBOXYLATE
DEAMINASE

(Cyberlindnera
saturnus) 		PF00291
(PALP) 		5 GLU A  39
ASP A 180
GLY A 177
PHE A 175
MET A 213
 None
 1.14A 1hvyC-1f2dA:
0.0		 1hvyC-1f2dA:
22.99
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.
1f2d 1-AMINOCYCLOPROPANE-
1-CARBOXYLATE
DEAMINASE

(Cyberlindnera
saturnus) 		PF00291
(PALP) 		5 GLU A  39
GLY A 177
PHE A 175
TYR A 216
MET A 213
 None
 1.38A 1hvyC-1f2dA:
0.0		 1hvyC-1f2dA:
22.99
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.
1ize ASPARTIC PROTEINASE

(Aspergillus
oryzae) 		PF00026
(Asp) 		5 ASP A 300
LEU A 303
GLY A 299
PHE A 298
TYR A  17
 None
 1.13A 1hvyC-1izeA:
0.0		 1hvyC-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 ASN C 407
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)
 0.64A 1hvyC-1j3jC:
12.3		 1hvyC-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)
 0.62A 1hvyC-1j3jC:
12.3		 1hvyC-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 PHE C 520
GLU C 382
ILE C 403
TRP C 404
ASN C 407
 None
 1.36A 1hvyC-1j3jC:
12.3		 1hvyC-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.
1jvb NAD(H)-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Sulfolobus
solfataricus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ILE A 331
ASN A 333
LEU A 345
GLY A  36
MET A 322
 None
 1.35A 1hvyC-1jvbA:
0.0		 1hvyC-1jvbA:
21.39
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
 1.03A 1hvyC-1tisA:
30.7		 1hvyC-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
 0.96A 1hvyC-1tisA:
30.7		 1hvyC-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.
1u6t SH3 DOMAIN-BINDING
GLUTAMIC
ACID-RICH-LIKE
PROTEIN

(Homo sapiens) 		PF04908
(SH3BGR) 		5 PHE A  81
ILE A  68
LEU A  96
GLY A  95
PHE A  93
 None
 1.26A 1hvyC-1u6tA:
undetectable		 1hvyC-1u6tA:
17.61
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)
 0.72A 1hvyC-2aazA:
undetectable		 1hvyC-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)
 0.93A 1hvyC-2aazA:
undetectable		 1hvyC-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.
2av4 THIOREDOXIN-LIKE
PROTEIN 4A (DIM1)

(Plasmodium
yoelii) 		PF02966
(DIM1) 		5 PHE A  87
ILE A  46
ASP A  51
GLY A  49
PHE A  48
 None
 1.40A 1hvyC-2av4A:
undetectable		 1hvyC-2av4A:
18.60
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.
2ct6 SH3 DOMAIN-BINDING
GLUTAMIC
ACID-RICH-LIKE
PROTEIN 2

(Homo sapiens) 		PF04908
(SH3BGR) 		5 PHE A  89
ILE A  76
LEU A 104
GLY A 103
PHE A 101
 None
 1.23A 1hvyC-2ct6A:
undetectable		 1hvyC-2ct6A:
14.58
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.
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
 1.35A 1hvyC-2ebdA:
undetectable		 1hvyC-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
 0.99A 1hvyC-2ec4A:
undetectable		 1hvyC-2ec4A:
19.27
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.
2eer NAD-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Sulfurisphaera
tokodaii) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ILE A 331
ASN A 333
LEU A 345
GLY A  36
MET A 322
 None
 1.24A 1hvyC-2eerA:
undetectable		 1hvyC-2eerA:
23.08
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.
2eu9 DUAL SPECIFICITY
PROTEIN KINASE CLK3

(Homo sapiens) 		PF00069
(Pkinase) 		5 PHE A 167
ILE A 188
ASN A 227
ASP A 138
GLY A 142
 None
 1.30A 1hvyC-2eu9A:
undetectable		 1hvyC-2eu9A:
21.05
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.
2goy ADENOSINE
PHOSPHOSULFATE
REDUCTASE

(Pseudomonas
aeruginosa) 		PF01507
(PAPS_reduct) 		5 PHE A 193
ILE A  45
LEU A  69
GLY A 161
MET A  72
 None
 1.13A 1hvyC-2goyA:
undetectable		 1hvyC-2goyA:
23.73
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)
 0.48A 1hvyC-2h2qA:
17.1		 1hvyC-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)
 0.75A 1hvyC-2h2qA:
17.1		 1hvyC-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)
 0.59A 1hvyC-2h2qA:
17.1		 1hvyC-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.
2hq6 SEROLOGICALLY
DEFINED COLON CANCER
ANTIGEN 10

(Homo sapiens) 		PF00160
(Pro_isomerase) 		5 PHE A 114
GLU A 122
LEU A 117
GLY A  60
PHE A  61
 GOL  A 176 ( 4.5A)
None
None
None
None
 1.31A 1hvyC-2hq6A:
undetectable		 1hvyC-2hq6A:
20.49
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.
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
 1.30A 1hvyC-2l26A:
undetectable		 1hvyC-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)
 0.74A 1hvyC-2oipA:
19.9		 1hvyC-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 1hvyC-2oipA:
19.9		 1hvyC-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.
2p18 GLYOXALASE II

(Leishmania
infantum) 		PF00753
(Lactamase_B)
PF16123
(HAGH_C) 		5 PHE A 207
ILE A 206
ASN A 264
ASP A 164
GLY A 163
 None
None
None
ZN  A 301 (-2.5A)
None
 1.00A 1hvyC-2p18A:
undetectable		 1hvyC-2p18A:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.32A 1hvyC-2qgmA:
undetectable		 1hvyC-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)
 0.78A 1hvyC-2tddA:
35.1		 1hvyC-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)
 0.70A 1hvyC-2tddA:
35.1		 1hvyC-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)
 1.07A 1hvyC-2tddA:
35.1		 1hvyC-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
 1.16A 1hvyC-2wedA:
undetectable		 1hvyC-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.
2z8h TRANSCRIPTION
REGULATOR PROTEIN
BACH1

(Mus musculus) 		PF00651
(BTB) 		5 GLU A  85
ILE A  88
ASN A  25
ASP A  31
PHE A  45
 None
 1.24A 1hvyC-2z8hA:
undetectable		 1hvyC-2z8hA:
16.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ab7 PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0350

(Thermus
thermophilus) 		PF00582
(Usp) 		5 ILE A 257
ASN A 259
ASP A 124
GLY A 125
PHE A 126
 ILE  A 257 ( 0.6A)
ASN  A 259 ( 0.6A)
ASP  A 124 ( 0.6A)
GLY  A 125 ( 0.0A)
PHE  A 126 ( 1.3A)
 1.34A 1hvyC-3ab7A:
undetectable		 1hvyC-3ab7A:
21.88
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.
3b0q PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 GLU A 460
ILE A 456
ASP A 362
GLY A 361
PHE A 360
 None
 1.29A 1hvyC-3b0qA:
undetectable		 1hvyC-3b0qA:
22.49
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.
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
 1.11A 1hvyC-3emyA:
undetectable		 1hvyC-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.
3fef PUTATIVE GLUCOSIDASE
LPLD,
ALPHA-GALACTURONIDAS
E

(Bacillus
subtilis) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		5 PHE A 419
GLU A 433
ASP A 411
GLY A 413
PHE A 416
 None
 1.40A 1hvyC-3fefA:
undetectable		 1hvyC-3fefA:
19.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 1hvyC-3fz4A:
undetectable		 1hvyC-3fz4A:
20.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ix6 THYMIDYLATE SYNTHASE

(Brucella
melitensis) 		PF00303
(Thymidylat_synt) 		5 GLU A  58
ILE A  79
ASP A 169
GLY A 173
TYR A 209
 None
 0.90A 1hvyC-3ix6A:
33.8		 1hvyC-3ix6A:
41.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.16A 1hvyC-3izq1:
undetectable		 1hvyC-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.
3jxz ALKYLPURINE DNA
GLYCOSYLASE ALKD

(Bacillus cereus) 		PF08713
(DNA_alkylation) 		5 ILE A 131
ASP A 122
LEU A 125
GLY A 121
PHE A 153
 None
 1.33A 1hvyC-3jxzA:
undetectable		 1hvyC-3jxzA:
20.93
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.
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
 1.24A 1hvyC-3k5hA:
undetectable		 1hvyC-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
 1.02A 1hvyC-3kgbA:
36.6		 1hvyC-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
MET A 509
 GOL  A 516 (-3.2A)
GOL  A 516 (-3.9A)
GOL  A 516 (-3.7A)
GOL  A 516 (-3.7A)
None
None
None
GOL  A 516 (-4.0A)
 0.88A 1hvyC-3kjrA:
12.7		 1hvyC-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) 		8 GLU A 285
ILE A 306
TRP A 307
ASP A 416
LEU A 419
GLY A 420
TYR A 456
MET A 509
 GOL  A 516 (-3.2A)
GOL  A 516 (-3.9A)
GOL  A 516 (-3.7A)
None
None
None
None
GOL  A 516 (-4.0A)
 0.81A 1hvyC-3kjrA:
12.7		 1hvyC-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
ASN A 310
LEU A 419
GLY A 420
PHE A 423
MET A 509
 GOL  A 516 (-3.9A)
GOL  A 516 (-3.7A)
None
None
None
GOL  A 516 (-4.0A)
 1.11A 1hvyC-3kjrA:
12.7		 1hvyC-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
LEU A 419
GLY A 420
PHE A 423
TYR A 456
MET A 509
 GOL  A 516 (-3.9A)
None
None
None
None
GOL  A 516 (-4.0A)
 1.01A 1hvyC-3kjrA:
12.7		 1hvyC-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.
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
 1.30A 1hvyC-3obiA:
undetectable		 1hvyC-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.
3r95 MCCE PROTEIN

(Escherichia
coli) 		PF13302
(Acetyltransf_3) 		5 PHE A 137
ILE A 121
ASN A 119
GLY A 156
PHE A 157
 None
None
ACO  A 601 ( 4.4A)
None
None
 1.27A 1hvyC-3r95A:
undetectable		 1hvyC-3r95A:
22.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ASN A 407
ASP A 513
LEU A 516
GLY A 517
TYR A 553
 None
UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.66A 1hvyC-3um6A:
18.8		 1hvyC-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)
 0.62A 1hvyC-3um6A:
18.8		 1hvyC-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)
 0.72A 1hvyC-3v8hA:
34.7		 1hvyC-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)
 0.70A 1hvyC-3v8hA:
34.7		 1hvyC-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)
 1.27A 1hvyC-3v8hA:
34.7		 1hvyC-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.
4bq4 B-AGARASE

(Saccharophagus
degradans) 		PF02449
(Glyco_hydro_42) 		5 PHE A 305
ASN A 782
LEU A 458
GLY A 459
PHE A 475
 None
 1.31A 1hvyC-4bq4A:
undetectable		 1hvyC-4bq4A:
18.29
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
ASP A 224
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 1hvyC-4dq1A:
35.1		 1hvyC-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)
 0.47A 1hvyC-4fogA:
38.2		 1hvyC-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) 		5 ILE A  79
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
C2F  A 302 ( 4.6A)
 0.77A 1hvyC-4fogA:
38.2		 1hvyC-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)
 0.53A 1hvyC-4h0uA:
36.7		 1hvyC-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)
 0.61A 1hvyC-4iqqA:
13.1		 1hvyC-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)
 0.66A 1hvyC-4iqqA:
13.1		 1hvyC-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.
4lq1 1,4-ALPHA-GLUCAN
BRANCHING ENZYME
GLGB

(Escherichia
coli) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		5 PHE A 560
ILE A 511
ASP A 622
GLY A 625
PHE A 626
 None
 1.39A 1hvyC-4lq1A:
undetectable		 1hvyC-4lq1A:
17.45
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.
4oqs CYP105AS1

(Amycolatopsis
orientalis) 		PF00067
(p450) 		5 PHE A 172
ILE A 200
ASN A 232
LEU A 193
GLY A 194
 None
 1.28A 1hvyC-4oqsA:
undetectable		 1hvyC-4oqsA:
23.99
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.
4r3e PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
CWC27 HOMOLOG

(Homo sapiens) 		PF00160
(Pro_isomerase) 		5 PHE A 114
GLU A 122
LEU A 117
GLY A  60
PHE A  61
 GOL  A 401 (-4.2A)
None
None
None
None
 1.30A 1hvyC-4r3eA:
undetectable		 1hvyC-4r3eA:
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.
4r3f SPLICEOSOMAL PROTEIN
CWC27

(Chaetomium
thermophilum) 		PF00160
(Pro_isomerase) 		5 PHE A 140
GLU A 148
LEU A 143
GLY A  60
PHE A  61
 EDO  A 303 (-2.8A)
None
None
None
EDO  A 303 ( 4.5A)
 1.25A 1hvyC-4r3fA:
undetectable		 1hvyC-4r3fA:
23.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rjz ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN (SUGAR)

(Agrobacterium
fabrum) 		PF01547
(SBP_bac_1) 		5 PHE A  96
ILE A  86
GLY A 136
PHE A 102
TYR A 120
 None
 1.28A 1hvyC-4rjzA:
undetectable		 1hvyC-4rjzA:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.01A 1hvyC-4rkuB:
undetectable		 1hvyC-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) 		7 PHE A  68
GLU A  75
ILE A  96
ASP A 206
GLY A 210
PHE A 213
TYR A 246
 None
1PE  A1002 ( 4.4A)
1PE  A1002 (-4.6A)
None
BVP  A1001 (-3.4A)
1PE  A1002 (-3.8A)
BVP  A1001 (-4.5A)
 0.49A 1hvyC-4xscA:
40.7		 1hvyC-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 PHE A  68
GLU A  75
ILE A  96
TRP A  97
GLY A 210
PHE A 213
TYR A 246
 None
1PE  A1002 ( 4.4A)
1PE  A1002 (-4.6A)
1PE  A1002 (-4.7A)
BVP  A1001 (-3.4A)
1PE  A1002 (-3.8A)
BVP  A1001 (-4.5A)
 0.71A 1hvyC-4xscA:
40.7		 1hvyC-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 PHE A  68
ILE A  96
ASP A 206
LEU A 209
GLY A 210
PHE A 213
TYR A 246
 None
1PE  A1002 (-4.6A)
None
None
BVP  A1001 (-3.4A)
1PE  A1002 (-3.8A)
BVP  A1001 (-4.5A)
 0.60A 1hvyC-4xscA:
40.7		 1hvyC-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.
4zmm DIGUANYLATE CYCLASE

(Pseudomonas
aeruginosa) 		PF00990
(GGDEF) 		5 PHE A 264
ILE A 303
ASN A 336
LEU A 327
GLY A 306
 None
 1.20A 1hvyC-4zmmA:
undetectable		 1hvyC-4zmmA:
21.40
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.
4zmu DIGUANYLATE CYCLASE

(Pseudomonas
aeruginosa) 		PF00990
(GGDEF)
PF01590
(GAF) 		5 PHE A 264
ILE A 303
ASN A 336
LEU A 327
GLY A 306
 None
 1.18A 1hvyC-4zmuA:
undetectable		 1hvyC-4zmuA:
20.97
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)
 0.78A 1hvyC-5by6A:
13.1		 1hvyC-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)
 0.64A 1hvyC-5by6A:
13.1		 1hvyC-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)
 0.57A 1hvyC-5by6A:
13.1		 1hvyC-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.
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)
 1.17A 1hvyC-5dlyA:
undetectable		 1hvyC-5dlyA:
19.93
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)
 0.62A 1hvyC-5h3aA:
21.3		 1hvyC-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)
 0.62A 1hvyC-5h3aA:
21.3		 1hvyC-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
 1.17A 1hvyC-5hctA:
undetectable		 1hvyC-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.
5hdi CYTOCHROME P450 144

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		5 PHE A  71
GLU A 210
ILE A 422
LEU A 349
GLY A 324
 None
 1.32A 1hvyC-5hdiA:
undetectable		 1hvyC-5hdiA:
21.30
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
 0.72A 1hvyC-5j7wA:
34.7		 1hvyC-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
 0.74A 1hvyC-5j7wA:
34.7		 1hvyC-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.
5ji5 BUPHA.10154.A.B1

(Paraburkholderia
phymatum) 		PF00850
(Hist_deacetyl) 		5 PHE A 117
GLU A  31
ILE A  30
GLY A  40
PHE A   5
 None
EDO  A 404 ( 4.6A)
None
None
None
 1.24A 1hvyC-5ji5A:
undetectable		 1hvyC-5ji5A:
20.00
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.
5k8f ACETYL-COENZYME A
SYNTHETASE

(Cryptococcus
neoformans) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		5 PHE A 523
ILE A 500
ASP A  93
GLY A  88
PHE A  89
 None
 1.40A 1hvyC-5k8fA:
undetectable		 1hvyC-5k8fA:
17.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l9w ACETOPHENONE
CARBOXYLASE ALPHA
SUBUNIT
ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT

(Aromatoleum
aromaticum) 		PF01968
(Hydantoinase_A)
PF05378
(Hydant_A_N) 		5 PHE B 260
ILE B 244
ASN B 242
LEU b 134
GLY b 172
 None
 1.39A 1hvyC-5l9wB:
undetectable		 1hvyC-5l9wB:
18.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ldt MOMP PORIN

(Campylobacter
jejuni) 		PF05538
(Campylo_MOMP) 		5 PHE A 147
ILE A 287
ASN A 238
LEU A 175
GLY A 158
 None
 1.25A 1hvyC-5ldtA:
undetectable		 1hvyC-5ldtA:
20.87
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.
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
 1.24A 1hvyC-5lngA:
undetectable		 1hvyC-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.
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 1hvyC-5oy0b:
undetectable		 1hvyC-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
 1.17A 1hvyC-5p60A:
undetectable		 1hvyC-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
MET A 608
 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 (-3.6A)
 0.54A 1hvyC-5t0lA:
20.1		 1hvyC-5t0lA:
57.19
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) 		6 GLU A  66
ILE A  87
ASP A 177
GLY A 181
PHE A 184
TYR A 217
 PGE  A 301 (-4.1A)
PGE  A 301 ( 4.2A)
None
PGE  A 301 ( 4.0A)
PGE  A 301 (-3.7A)
None
 0.81A 1hvyC-6aujA:
33.7		 1hvyC-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)
 0.39A 1hvyC-6cdzA:
37.8		 1hvyC-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)
 0.61A 1hvyC-6cdzA:
37.8		 1hvyC-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
 1.26A 1hvyC-6ekvA:
undetectable		 1hvyC-6ekvA:
16.53