SIMILAR PATTERNS OF AMINO ACIDS FOR 5H3A_B_D16B401

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
 1.22A 5h3aB-1am5A:
0.0		 5h3aB-1am5A:
19.57
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 ILE A  93
ASP A 184
GLY A 188
PHE A 191
TYR A 224
 None
 0.62A 5h3aB-1bsfA:
31.4		 5h3aB-1bsfA:
36.27
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) 		6 PHE A  58
ASP A 202
LEU A 205
GLY A 206
PHE A 209
TYR A 242
 CB3  A 768 (-3.6A)
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)
 0.59A 5h3aB-1ci7A:
12.3		 5h3aB-1ci7A:
60.07
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) 		6 PHE A  58
ILE A  86
ASP A 202
GLY A 206
PHE A 209
TYR A 242
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 3.6A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.43A 5h3aB-1ci7A:
12.3		 5h3aB-1ci7A:
60.07
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.
1d6h CHALCONE SYNTHASE

(Medicago sativa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		4 ILE A 114
LEU A 150
GLY A 149
TYR A 153
 None
 0.80A 5h3aB-1d6hA:
0.0		 5h3aB-1d6hA:
19.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hv5 STROMELYSIN 3

(Mus musculus) 		PF00413
(Peptidase_M10) 		4 ILE A 159
LEU A 225
GLY A 222
PHE A 221
 None
 0.78A 5h3aB-1hv5A:
undetectable		 5h3aB-1hv5A:
20.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvy THYMIDYLATE SYNTHASE

(Homo sapiens) 		PF00303
(Thymidylat_synt) 		6 ILE A 108
ASP A 218
LEU A 221
GLY A 222
PHE A 225
TYR A 258
 D16  A 414 (-3.7A)
D16  A 414 ( 3.6A)
D16  A 414 (-4.0A)
D16  A 414 (-3.3A)
D16  A 414 (-3.6A)
UMP  A 314 ( 4.4A)
 0.64A 5h3aB-1hvyA:
43.8		 5h3aB-1hvyA:
71.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvy THYMIDYLATE SYNTHASE

(Homo sapiens) 		PF00303
(Thymidylat_synt) 		6 PHE A  80
ILE A 108
ASP A 218
GLY A 222
PHE A 225
TYR A 258
 D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
D16  A 414 ( 3.6A)
D16  A 414 (-3.3A)
D16  A 414 (-3.6A)
UMP  A 314 ( 4.4A)
 0.53A 5h3aB-1hvyA:
43.8		 5h3aB-1hvyA:
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.
1ize ASPARTIC PROTEINASE

(Aspergillus
oryzae) 		PF00026
(Asp) 		5 ASP A 300
LEU A 303
GLY A 299
PHE A 298
TYR A  17
 None
 1.20A 5h3aB-1izeA:
0.0		 5h3aB-1izeA:
21.30
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) 		4 ASP C 513
LEU C 516
GLY C 517
TYR C 553
 UMP  C 611 (-4.9A)
None
UMP  C 611 (-3.5A)
UMP  C 611 (-4.9A)
 0.64A 5h3aB-1j3jC:
41.1		 5h3aB-1j3jC:
51.69
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) 		4 ILE C 403
ASP C 513
GLY C 517
TYR C 553
 None
UMP  C 611 (-4.9A)
UMP  C 611 (-3.5A)
UMP  C 611 (-4.9A)
 0.49A 5h3aB-1j3jC:
41.1		 5h3aB-1j3jC:
51.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1omo ALANINE
DEHYDROGENASE

(Archaeoglobus
fulgidus) 		PF02423
(OCD_Mu_crystall) 		4 PHE A 288
ILE A 268
ASP A 277
GLY A 278
 PHE  A 288 ( 1.3A)
ILE  A 268 ( 0.3A)
ASP  A 277 ( 0.5A)
GLY  A 278 ( 0.0A)
 0.84A 5h3aB-1omoA:
0.0		 5h3aB-1omoA:
20.29
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.
1pmj BETA-1,4-MANNANASE

(Caldicellulosiruptor
saccharolyticus) 		PF09212
(CBM27) 		4 ILE X 173
ASP X  61
GLY X 164
PHE X 103
 None
 0.82A 5h3aB-1pmjX:
undetectable		 5h3aB-1pmjX:
21.22
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.
1qdn PROTEIN
(N-ETHYLMALEIMIDE
SENSITIVE FUSION
PROTEIN (NSF))

(Cricetulus
griseus) 		PF02359
(CDC48_N)
PF02933
(CDC48_2) 		4 PHE A 140
LEU A 147
GLY A 146
PHE A 145
 None
 0.68A 5h3aB-1qdnA:
undetectable		 5h3aB-1qdnA:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rtr GERANYLTRANSTRANSFER
ASE

(Staphylococcus
aureus) 		PF00348
(polyprenyl_synt) 		4 ILE A  45
LEU A 210
GLY A 211
PHE A 214
 None
 0.46A 5h3aB-1rtrA:
undetectable		 5h3aB-1rtrA:
23.10
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) 		4 ASP A 179
GLY A 183
PHE A 186
TYR A 219
 None
 0.49A 5h3aB-1tisA:
30.5		 5h3aB-1tisA:
40.79
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) 		4 ASP A 179
LEU A 182
GLY A 183
TYR A 219
 None
 0.48A 5h3aB-1tisA:
30.5		 5h3aB-1tisA:
40.79
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) 		5 ILE A 100
ASP A 219
LEU A 222
GLY A 223
TYR A 259
 CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 ( 4.3A)
 0.78A 5h3aB-2aazA:
undetectable		 5h3aB-2aazA:
59.14
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) 		5 ILE A 100
LEU A 222
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 (-3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 1.12A 5h3aB-2aazA:
undetectable		 5h3aB-2aazA:
59.14
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) 		4 PHE A  72
ASP A 219
GLY A 223
TYR A 259
 CB3  A2351 (-3.9A)
CB3  A2351 ( 3.6A)
CB3  A2351 ( 3.2A)
CB3  A2351 ( 4.3A)
 0.53A 5h3aB-2aazA:
undetectable		 5h3aB-2aazA:
59.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fqd BLUE COPPER OXIDASE
CUEO

(Escherichia
coli) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 ILE A 447
LEU A 512
GLY A 513
PHE A 514
 None
 0.77A 5h3aB-2fqdA:
undetectable		 5h3aB-2fqdA:
19.14
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 PHE A 288
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)
 0.70A 5h3aB-2h2qA:
17.3		 5h3aB-2h2qA:
44.69
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 PHE A 288
ILE A 316
ASP A 426
GLY A 430
PHE A 433
TYR A 466
 None
None
None
DU  A 611 (-3.5A)
None
DU  A 611 (-4.6A)
 0.46A 5h3aB-2h2qA:
17.3		 5h3aB-2h2qA:
44.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hsz NOVEL PREDICTED
PHOSPHATASE

(Histophilus
somni) 		PF13419
(HAD_2) 		4 PHE A   9
ILE A 219
LEU A 194
GLY A 193
 None
 0.81A 5h3aB-2hszA:
undetectable		 5h3aB-2hszA:
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.
2idv EUKARYOTIC
TRANSLATION
INITIATION FACTOR
4E-1

(Triticum
aestivum) 		PF01652
(IF4E) 		4 ILE A 166
ASP A 148
GLY A 147
PHE A 144
 None
 0.78A 5h3aB-2idvA:
undetectable		 5h3aB-2idvA:
18.09
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.
2ivg CYANATE LYASE

(Escherichia
coli) 		PF02560
(Cyanate_lyase) 		4 ILE A 121
ASP A 118
GLY A 117
PHE A 116
 None
 0.82A 5h3aB-2ivgA:
undetectable		 5h3aB-2ivgA:
18.12
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) 		4 ILE A 315
ASP A 426
GLY A 430
TYR A 466
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 4.3A)
 0.42A 5h3aB-2oipA:
19.9		 5h3aB-2oipA:
31.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qlp DEOXYCYTIDINE
TRIPHOSPHATE
DEAMINASE

(Mycobacterium
tuberculosis) 		PF00692
(dUTPase) 		4 ILE A  32
LEU A  17
GLY A  18
PHE A  88
 None
 0.84A 5h3aB-2qlpA:
undetectable		 5h3aB-2qlpA:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qty POLY(ADP-RIBOSE)
GLYCOHYDROLASE ARH3

(Mus musculus) 		PF03747
(ADP_ribosyl_GH) 		4 PHE A 195
ILE A 265
LEU A 237
GLY A 234
 None
 0.57A 5h3aB-2qtyA:
undetectable		 5h3aB-2qtyA:
21.86
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.
2ra8 UNCHARACTERIZED
PROTEIN Q64V53_BACFR

(Bacteroides
fragilis) 		PF05406
(WGR) 		4 PHE A 138
LEU A 144
GLY A 143
PHE A 141
 None
 0.72A 5h3aB-2ra8A:
undetectable		 5h3aB-2ra8A:
21.39
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) 		4 ILE A  81
ASP A 221
GLY A 225
TYR A 261
 THF  A 568 ( 4.8A)
UFP  A 529 (-4.7A)
UFP  A 529 ( 4.0A)
UFP  A 529 (-4.7A)
 0.62A 5h3aB-2tddA:
33.5		 5h3aB-2tddA:
43.61
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) 		4 LEU A 224
GLY A 225
PHE A 228
TYR A 261
 THF  A 568 (-3.6A)
UFP  A 529 ( 4.0A)
THF  A 568 (-4.8A)
UFP  A 529 (-4.7A)
 0.83A 5h3aB-2tddA:
33.5		 5h3aB-2tddA:
43.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wed PENICILLOPEPSIN

(Penicillium
janthinellum) 		PF00026
(Asp) 		5 ASP A 300
LEU A 303
GLY A 299
PHE A 298
TYR A  17
 None
 1.25A 5h3aB-2wedA:
undetectable		 5h3aB-2wedA:
20.76
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.
2wf7 BETA-PHOSPHOGLUCOMUT
ASE

(Lactococcus
lactis) 		PF13419
(HAD_2) 		4 PHE A   7
ILE A  96
GLY A  11
TYR A  19
 None
None
MG  A1220 ( 4.5A)
None
 0.85A 5h3aB-2wf7A:
undetectable		 5h3aB-2wf7A:
24.48
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.
2wmc EUKARYOTIC
TRANSLATION
INITIATION FACTOR 4E

(Pisum sativum) 		PF01652
(IF4E) 		4 ILE A 179
ASP A 161
GLY A 160
PHE A 157
 None
 0.72A 5h3aB-2wmcA:
undetectable		 5h3aB-2wmcA:
19.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yxx DIAMINOPIMELATE
DECARBOXYLASE

(Thermotoga
maritima) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		4 ILE A 173
ASP A 162
LEU A 161
PHE A 164
 None
 0.77A 5h3aB-2yxxA:
undetectable		 5h3aB-2yxxA:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a31 PROBABLE
THREONYL-TRNA
SYNTHETASE 1

(Aeropyrum
pernix) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		4 ILE A  18
LEU A 154
GLY A 322
TYR A 152
 None
 0.73A 5h3aB-3a31A:
undetectable		 5h3aB-3a31A:
19.67
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.
3bo7 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
CYCLOPHILIN-TYPE

(Toxoplasma
gondii) 		PF00160
(Pro_isomerase) 		4 ILE A 121
ASP A 144
LEU A 143
GLY A 142
 None
 0.78A 5h3aB-3bo7A:
undetectable		 5h3aB-3bo7A:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.19A 5h3aB-3emyA:
undetectable		 5h3aB-3emyA:
21.35
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) 		4 ASP A 169
LEU A 172
GLY A 173
TYR A 209
 None
 0.82A 5h3aB-3ix6A:
33.5		 5h3aB-3ix6A:
43.17
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.
3j97 VESICLE-FUSING
ATPASE

(Cricetulus
griseus) 		PF00004
(AAA)
PF02359
(CDC48_N)
PF02933
(CDC48_2) 		4 PHE A 140
LEU A 147
GLY A 146
PHE A 145
 None
 0.64A 5h3aB-3j97A:
undetectable		 5h3aB-3j97A:
16.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k9t PUTATIVE PEPTIDASE

(Clostridium
acetobutylicum) 		PF09940
(DUF2172)
PF16221
(HTH_47)
PF16254
(DUF4910) 		4 PHE A 221
ILE A  48
GLY A 169
PHE A 223
 None
MRD  A 441 ( 4.8A)
None
None
 0.79A 5h3aB-3k9tA:
undetectable		 5h3aB-3k9tA:
21.04
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) 		4 PHE A  60
GLY A 201
PHE A 204
TYR A 237
 None
 0.27A 5h3aB-3kgbA:
37.1		 5h3aB-3kgbA:
57.82
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) 		4 ASP A 416
LEU A 419
GLY A 420
TYR A 456
 None
 0.65A 5h3aB-3kjrA:
12.3		 5h3aB-3kjrA:
32.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kq5 HYPOTHETICAL
CYTOSOLIC PROTEIN

(Coxiella
burnetii) 		PF07515
(TraI_2_C) 		4 ILE A 367
LEU A 320
GLY A 315
PHE A 314
 None
 0.83A 5h3aB-3kq5A:
undetectable		 5h3aB-3kq5A:
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.
3kq5 HYPOTHETICAL
CYTOSOLIC PROTEIN

(Coxiella
burnetii) 		PF07515
(TraI_2_C) 		4 ILE A 367
LEU A 320
GLY A 319
PHE A 318
 None
 0.73A 5h3aB-3kq5A:
undetectable		 5h3aB-3kq5A:
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.
3ldu PUTATIVE METHYLASE

(Clostridioides
difficile) 		PF01170
(UPF0020)
PF02926
(THUMP) 		4 PHE A 293
ILE A 302
LEU A 325
GLY A 326
 GOL  A 387 (-4.5A)
None
None
None
 0.86A 5h3aB-3lduA:
undetectable		 5h3aB-3lduA:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3thn EXONUCLEASE,
PUTATIVE

(Thermotoga
maritima) 		PF00149
(Metallophos) 		4 ILE A 230
ASP A  14
GLY A 233
PHE A 220
 None
MN  A 360 (-3.4A)
None
None
 0.85A 5h3aB-3thnA:
undetectable		 5h3aB-3thnA:
21.15
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.
3tho EXONUCLEASE,
PUTATIVE

(Thermotoga
maritima) 		PF00149
(Metallophos) 		4 ILE B 230
ASP B  14
GLY B 233
PHE B 220
 None
MN  B   1 (-3.7A)
None
None
 0.83A 5h3aB-3thoB:
undetectable		 5h3aB-3thoB:
20.48
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.
3uca GERANYLTRANSTRANSFER
ASE

(Clostridium
perfringens) 		PF00348
(polyprenyl_synt) 		4 ILE A  54
LEU A 220
GLY A 221
PHE A 224
 None
 0.64A 5h3aB-3ucaA:
undetectable		 5h3aB-3ucaA:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		4 ASP A 513
LEU A 516
GLY A 517
TYR A 553
 UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.66A 5h3aB-3um6A:
41.0		 5h3aB-3um6A:
27.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		4 ILE A 403
ASP A 513
GLY A 517
TYR A 553
 None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.51A 5h3aB-3um6A:
41.0		 5h3aB-3um6A:
27.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3usz EXO-1,3/1,4-BETA-GLU
CANASE

(Pseudoalteromonas
sp. BB1) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C) 		4 ILE A 210
ASP A 287
GLY A 288
PHE A 289
 None
 0.86A 5h3aB-3uszA:
undetectable		 5h3aB-3uszA:
16.04
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) 		4 ASP A 217
GLY A 221
PHE A 224
TYR A 257
 None
None
None
CIT  A 400 (-4.5A)
 0.46A 5h3aB-3v8hA:
34.4		 5h3aB-3v8hA:
36.73
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) 		4 ASP A 217
LEU A 220
GLY A 221
TYR A 257
 None
None
None
CIT  A 400 (-4.5A)
 0.82A 5h3aB-3v8hA:
34.4		 5h3aB-3v8hA:
36.73
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.
3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE

(Bacteroides
thetaiotaomicron) 		PF07494
(Reg_prop)
PF07495
(Y_Y_Y) 		4 ILE A 344
ASP A 644
GLY A 645
PHE A 646
 None
 0.70A 5h3aB-3va6A:
undetectable		 5h3aB-3va6A:
16.22
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.
3wjo OCTAPRENYL
DIPHOSPHATE SYNTHASE

(Escherichia
coli) 		PF00348
(polyprenyl_synt) 		4 ILE A  47
LEU A 203
GLY A 204
PHE A 207
 None
None
None
IPE  A 402 (-4.5A)
 0.58A 5h3aB-3wjoA:
undetectable		 5h3aB-3wjoA:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4aee ALPHA AMYLASE,
CATALYTIC REGION

(Staphylothermus
marinus) 		PF00128
(Alpha-amylase) 		4 ILE A 447
LEU A 472
GLY A 470
TYR A 489
 None
 0.86A 5h3aB-4aeeA:
undetectable		 5h3aB-4aeeA:
16.26
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) 		4 ASP A 224
LEU A 227
GLY A 228
TYR A 264
 None
None
UMP  A 501 ( 4.0A)
UMP  A 501 (-4.2A)
 0.78A 5h3aB-4dq1A:
33.7		 5h3aB-4dq1A:
43.25
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 ILE A  84
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)
 0.53A 5h3aB-4dq1A:
33.7		 5h3aB-4dq1A:
43.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e2i DNA POLYMERASE ALPHA
SUBUNIT B

(Homo sapiens) 		no annotation 4 PHE 2  15
ILE 2  46
LEU 2  57
GLY 2  56
 None
 0.85A 5h3aB-4e2i2:
undetectable		 5h3aB-4e2i2:
13.12
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.
4es4 PUTATIVE CYCLIC
DI-GMP REGULATOR
CDGR

(Escherichia
coli) 		PF00563
(EAL) 		4 PHE A 213
ILE A 210
ASP A  20
PHE A 215
 None
 0.78A 5h3aB-4es4A:
undetectable		 5h3aB-4es4A:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fha DIHYDRODIPICOLINATE
SYNTHASE

(Streptococcus
pneumoniae) 		PF00701
(DHDPS) 		4 PHE A  15
ILE A  34
ASP A  43
GLY A  44
 None
 0.78A 5h3aB-4fhaA:
undetectable		 5h3aB-4fhaA:
23.53
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) 		4 ILE A  79
ASP A 169
GLY A 173
TYR A 209
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 ( 4.6A)
 0.47A 5h3aB-4fogA:
36.6		 5h3aB-4fogA:
49.82
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) 		4 ASP A 172
LEU A 175
GLY A 176
TYR A 212
 None
None
UMP  A 301 (-3.6A)
UMP  A 301 (-4.5A)
 0.74A 5h3aB-4h0uA:
36.3		 5h3aB-4h0uA:
50.53
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) 		4 ILE A  82
ASP A 172
GLY A 176
TYR A 212
 None
None
UMP  A 301 (-3.6A)
UMP  A 301 (-4.5A)
 0.43A 5h3aB-4h0uA:
36.3		 5h3aB-4h0uA:
50.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h1x PHOSPHATE-BINDING
PROTEIN PSTS 2

(Streptococcus
pneumoniae) 		PF12849
(PBP_like_2) 		4 ILE A 212
LEU A 143
GLY A 144
PHE A 147
 None
 0.47A 5h3aB-4h1xA:
undetectable		 5h3aB-4h1xA:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ily CHITOSANASE

(Streptomyces
sp. SirexAA-E) 		PF01374
(Glyco_hydro_46) 		4 ILE A  65
ASP A  58
LEU A  57
GLY A  56
 None
 0.82A 5h3aB-4ilyA:
undetectable		 5h3aB-4ilyA:
21.59
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) 		6 ILE A 110
ASP A 220
LEU A 223
GLY A 224
PHE A 227
TYR A 260
 D16  A 402 (-4.0A)
D16  A 402 ( 4.0A)
D16  A 402 (-3.7A)
D16  A 402 ( 3.1A)
D16  A 402 (-3.2A)
D16  A 402 ( 4.2A)
 0.26A 5h3aB-4iqqA:
12.7		 5h3aB-4iqqA:
58.05
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.
4j5q O-ACETYL-ADP-RIBOSE
DEACETYLASE 1

(Homo sapiens) 		PF01661
(Macro) 		4 PHE A  48
ILE A  78
LEU A  58
GLY A  54
 None
 0.65A 5h3aB-4j5qA:
undetectable		 5h3aB-4j5qA:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lgc BILE ACID-COENZYME A
LIGASE

([Clostridium]
scindens) 		PF00501
(AMP-binding) 		4 PHE A 237
ILE A 202
GLY A 212
TYR A 317
 None
 0.67A 5h3aB-4lgcA:
undetectable		 5h3aB-4lgcA:
18.83
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.
4rjz ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN (SUGAR)

(Agrobacterium
fabrum) 		PF01547
(SBP_bac_1) 		4 ILE A  88
GLY A 136
PHE A 102
TYR A 120
 None
 0.82A 5h3aB-4rjzA:
undetectable		 5h3aB-4rjzA:
21.15
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.
4uar PROTEIN CBBY

(Rhodobacter
sphaeroides) 		PF13419
(HAD_2) 		4 PHE A 214
ASP A 224
LEU A 223
GLY A 222
 None
 0.82A 5h3aB-4uarA:
undetectable		 5h3aB-4uarA:
23.21
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
ILE A  96
ASP A 206
GLY A 210
PHE A 213
TYR A 246
 None
1PE  A1002 (-4.6A)
None
BVP  A1001 (-3.4A)
1PE  A1002 (-3.8A)
BVP  A1001 (-4.5A)
 0.44A 5h3aB-4xscA:
39.9		 5h3aB-4xscA:
57.88
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.
4y2w ALANINE RACEMASE 1

(Caldanaerobacter
subterraneus) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		4 PHE A 363
ILE A 338
ASP A 289
GLY A 290
 None
 0.78A 5h3aB-4y2wA:
undetectable		 5h3aB-4y2wA:
21.65
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) 		4 ASP A 212
LEU A 215
GLY A 216
TYR A 252
 None
None
UMP  A 401 (-3.5A)
UMP  A 401 (-4.6A)
 0.75A 5h3aB-5by6A:
42.9		 5h3aB-5by6A:
60.07
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
ILE A 102
ASP A 212
GLY A 216
PHE A 219
TYR A 252
 None
DTT  A 402 ( 4.3A)
None
UMP  A 401 (-3.5A)
DTT  A 402 ( 4.1A)
UMP  A 401 (-4.6A)
 0.39A 5h3aB-5by6A:
42.9		 5h3aB-5by6A:
60.07
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.
5eip YTH
DOMAIN-CONTAINING
PROTEIN MMI1

(Schizosaccharomyces
pombe) 		PF04146
(YTH) 		4 PHE A 393
ILE A 432
GLY A 405
PHE A 395
 None
 0.74A 5h3aB-5eipA:
undetectable		 5h3aB-5eipA:
17.89
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.
5f4l ENVELOPE
GLYCOPROTEIN GP120
OF HIV-1 CLADE C

(Human
immunodeficiency
virus 1) 		PF00516
(GP120) 		4 PHE A 468
ILE A 359
GLY A 393
PHE A 361
 None
 0.70A 5h3aB-5f4lA:
undetectable		 5h3aB-5f4lA:
19.01
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.
5h8a YTH
DOMAIN-CONTAINING
PROTEIN MMI1

(Schizosaccharomyces
pombe) 		PF04146
(YTH) 		4 PHE A 393
ILE A 432
GLY A 405
PHE A 395
 None
 0.73A 5h3aB-5h8aA:
undetectable		 5h3aB-5h8aA:
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.
5hct ENDOTHIAPEPSIN

(Cryphonectria
parasitica) 		PF00026
(Asp) 		5 ASP A 307
LEU A 310
GLY A 306
PHE A 305
TYR A  17
 None
 1.14A 5h3aB-5hctA:
undetectable		 5h3aB-5hctA:
19.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iw7 RIBOSOME BIOGENESIS
PROTEIN
TSR1,RIBOSOME
BIOGENESIS PROTEIN
TSR1

(Saccharomyces
cerevisiae) 		PF04950
(RIBIOP_C)
PF08142
(AARP2CN) 		4 ILE A 177
LEU A 162
GLY A 161
PHE A 160
 None
 0.79A 5h3aB-5iw7A:
undetectable		 5h3aB-5iw7A:
18.25
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) 		4 ASP A 220
LEU A 223
GLY A 224
TYR A 260
 None
 0.75A 5h3aB-5j7wA:
34.2		 5h3aB-5j7wA:
45.48
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 ILE A  80
ASP A 220
GLY A 224
PHE A 227
TYR A 260
 None
 0.67A 5h3aB-5j7wA:
34.2		 5h3aB-5j7wA:
45.48
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.
5jgg ALPHA CHAIN

(Acipenser
persicus) 		PF00042
(Globin) 		4 PHE A 129
ILE A  67
LEU A 110
TYR A 113
 None
 0.86A 5h3aB-5jggA:
undetectable		 5h3aB-5jggA:
21.35
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.
5m45 ACETONE CARBOXYLASE
BETA SUBUNIT

(Xanthobacter
autotrophicus) 		PF01968
(Hydantoinase_A)
PF05378
(Hydant_A_N) 		4 PHE B 466
ILE B 456
GLY B 487
PHE B 488
 None
 0.77A 5h3aB-5m45B:
undetectable		 5h3aB-5m45B:
18.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m5x DNA-DIRECTED RNA
POLYMERASE I SUBUNIT
RPA135

(Saccharomyces
cerevisiae) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF06883
(RNA_pol_Rpa2_4) 		5 ASP B 841
LEU B 845
GLY B 844
PHE B 825
TYR B 847
 None
 1.30A 5h3aB-5m5xB:
undetectable		 5h3aB-5m5xB:
14.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mln ALCOHOL
DEHYDROGENASE 3

([Candida]
magnoliae) 		no annotation 4 ILE A 118
ASP A 165
LEU A 164
GLY A 163
 None
 0.82A 5h3aB-5mlnA:
undetectable		 5h3aB-5mlnA:
16.67
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.
5ndx GLYCOSYL HYDROLASE

(Rhizobium
leguminosarum) 		no annotation 4 ILE A 217
LEU A 195
PHE A 192
TYR A 162
 None
 0.82A 5h3aB-5ndxA:
undetectable		 5h3aB-5ndxA:
15.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o8m YTH
DOMAIN-CONTAINING
PROTEIN MMI1

(Schizosaccharomyces
pombe) 		no annotation 4 PHE A 393
ILE A 432
GLY A 405
PHE A 395
 None
 0.76A 5h3aB-5o8mA:
undetectable		 5h3aB-5o8mA:
15.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5p60 ENDOTHIAPEPSIN

(Cryphonectria
parasitica) 		PF00026
(Asp) 		5 ASP A 307
LEU A 310
GLY A 306
PHE A 305
TYR A  17
 None
 1.14A 5h3aB-5p60A:
undetectable		 5h3aB-5p60A:
21.05
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) 		7 PHE A 374
ILE A 402
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 None
CB3  A 703 (-3.4A)
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)
 0.52A 5h3aB-5t0lA:
42.8		 5h3aB-5t0lA:
33.33
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.
5twt PEROXIDASE PVI9

(Panicum
virgatum) 		PF00141
(peroxidase) 		4 ILE A 181
ASP A 236
LEU A 232
GLY A 231
 None
 0.85A 5h3aB-5twtA:
undetectable		 5h3aB-5twtA:
22.29
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.
5uc5 CHS2 CHALCONE
SYNTHASE

(Malus domestica) 		no annotation 4 ILE A 114
LEU A 150
GLY A 149
TYR A 153
 None
 0.86A 5h3aB-5uc5A:
undetectable		 5h3aB-5uc5A:
17.13
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 ILE A  87
ASP A 177
GLY A 181
PHE A 184
TYR A 217
 PGE  A 301 ( 4.2A)
None
PGE  A 301 ( 4.0A)
PGE  A 301 (-3.7A)
None
 0.57A 5h3aB-6aujA:
34.1		 5h3aB-6aujA:
48.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b6m CYANATE HYDRATASE

(Serratia
proteamaculans) 		no annotation 4 ILE A 121
ASP A 118
GLY A 117
PHE A 116
 None
 0.85A 5h3aB-6b6mA:
undetectable		 5h3aB-6b6mA:
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.
6cdz THYMIDYLATE SYNTHASE

(Escherichia
coli) 		no annotation 6 ILE A  79
ASP A 169
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 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)
 0.54A 5h3aB-6cdzA:
36.6		 5h3aB-6cdzA:
19.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6dd6 PHOTOLYASE PHRB

(Agrobacterium
tumefaciens) 		no annotation 4 ILE A 317
GLY A 417
PHE A 418
TYR A 424
 None
 0.85A 5h3aB-6dd6A:
undetectable		 5h3aB-6dd6A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fi2 VEXL

(Achromobacter
denitrificans) 		no annotation 4 PHE A 190
LEU A 248
GLY A 255
TYR A 342
 None
 0.85A 5h3aB-6fi2A:
undetectable		 5h3aB-6fi2A:
16.96