SIMILAR PATTERNS OF AMINO ACIDS FOR 2TSR_D_D16D609_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
 1.20A 2tsrD-1am5A:
0.0		 2tsrD-1am5A:
22.19
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
 0.71A 2tsrD-1bsfA:
31.3		 2tsrD-1bsfA:
35.16
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.
1ch4 MODULE-SUBSTITUTED
CHIMERA HEMOGLOBIN
BETA-ALPHA

(Homo sapiens) 		PF00042
(Globin) 		5 ASP A  47
LEU A  48
GLY A  46
PHE A  45
THR A  38
 None
None
None
HEM  A 147 (-4.7A)
HEM  A 147 ( 4.7A)
 1.33A 2tsrD-1ch4A:
undetectable		 2tsrD-1ch4A:
18.03
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 PHE A  58
ILE A  86
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 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.58A 2tsrD-1ci7A:
41.2		 2tsrD-1ci7A:
58.41
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 PHE A  58
ILE A  86
ASP A 202
LEU A 205
PHE A 209
TYR A 242
THR A 290
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
None
 0.79A 2tsrD-1ci7A:
41.2		 2tsrD-1ci7A:
58.41
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
TRP A  87
ASP A 202
PHE A 209
TYR A 242
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
None
CB3  A 768 ( 3.6A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.69A 2tsrD-1ci7A:
41.2		 2tsrD-1ci7A:
58.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g0v PROTEINASE A

(Saccharomyces
cerevisiae) 		PF00026
(Asp) 		5 PHE A 267
ASP A 303
LEU A 306
GLY A 302
TYR A  14
 None
 1.44A 2tsrD-1g0vA:
0.0		 2tsrD-1g0vA:
21.72
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.
1h2t 80 KDA NUCLEAR CAP
BINDING PROTEIN

(Homo sapiens) 		PF02854
(MIF4G)
PF09088
(MIF4G_like)
PF09090
(MIF4G_like_2) 		5 PHE C 173
ILE C 236
ASP C 230
LEU C 203
THR C 156
 None
 1.33A 2tsrD-1h2tC:
0.0		 2tsrD-1h2tC:
17.25
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) 		5 PHE A  80
ILE A 108
PHE A 225
TYR A 258
THR A 306
 D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
D16  A 414 (-3.6A)
UMP  A 314 ( 4.4A)
None
 0.72A 2tsrD-1hvyA:
21.0		 2tsrD-1hvyA:
92.71
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) 		8 PHE A  80
ILE A 108
TRP A 109
ASP A 218
LEU A 221
GLY A 222
PHE A 225
TYR A 258
 D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
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)
 0.54A 2tsrD-1hvyA:
21.0		 2tsrD-1hvyA:
92.71
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.
1ibq ASPERGILLOPEPSIN

(Aspergillus
phoenicis) 		PF00026
(Asp) 		5 ILE A 107
ASP A  30
LEU A 120
GLY A 119
THR A 130
 None
 1.42A 2tsrD-1ibqA:
0.0		 2tsrD-1ibqA:
21.31
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.
1ize ASPARTIC PROTEINASE

(Aspergillus
oryzae) 		PF00026
(Asp) 		5 ASP A 300
LEU A 303
GLY A 299
PHE A 298
TYR A  17
 None
 1.18A 2tsrD-1izeA:
0.0		 2tsrD-1izeA:
21.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tis THYMIDYLATE SYNTHASE

(Escherichia
virus T4) 		PF00303
(Thymidylat_synt) 		5 ASP A 179
LEU A 182
GLY A 183
PHE A 186
TYR A 219
 None
 0.90A 2tsrD-1tisA:
30.7		 2tsrD-1tisA:
41.10
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) 		5 ASP A 179
LEU A 182
GLY A 183
TYR A 219
THR A  47
 None
 1.29A 2tsrD-1tisA:
30.7		 2tsrD-1tisA:
41.10
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
 1.28A 2tsrD-1u6tA:
undetectable		 2tsrD-1u6tA:
16.94
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.
1u8v GAMMA-AMINOBUTYRATE
METABOLISM
DEHYDRATASE/ISOMERAS
E

(Clostridium
aminobutyricum) 		PF03241
(HpaB)
PF11794
(HpaB_N) 		5 ILE A 138
ASP A 107
GLY A 105
TYR A 291
THR A  45
 None
 1.33A 2tsrD-1u8vA:
undetectable		 2tsrD-1u8vA:
20.32
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) 		7 PHE A  72
ILE A 100
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 0.97A 2tsrD-2aazA:
undetectable		 2tsrD-2aazA:
59.19
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) 		7 PHE A  72
ILE A 100
TRP A 101
ASP A 219
LEU A 222
GLY A 223
TYR A 259
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 ( 4.3A)
 0.77A 2tsrD-2aazA:
undetectable		 2tsrD-2aazA:
59.19
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.
2bkx GLUCOSAMINE-6-PHOSPH
ATE DEAMINASE

(Bacillus
subtilis) 		PF01182
(Glucosamine_iso) 		5 ASP A  67
LEU A  66
GLY A 140
TYR A  80
THR A 126
 F6R  A1243 (-3.1A)
F6R  A1243 (-4.0A)
F6R  A1243 (-3.0A)
None
None
 1.26A 2tsrD-2bkxA:
undetectable		 2tsrD-2bkxA:
24.38
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.
2ci6 NG,
NG-DIMETHYLARGININE
DIMETHYLAMINOHYDROLA
SE 1

(Bos taurus) 		PF02274
(Amidinotransf) 		5 ILE A 199
ASP A 129
LEU A 173
GLY A 140
THR A 133
 None
 1.32A 2tsrD-2ci6A:
undetectable		 2tsrD-2ci6A:
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.
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
 1.24A 2tsrD-2ct6A:
undetectable		 2tsrD-2ct6A:
16.21
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.
2gh4 PUTATIVE GLYCOSYL
HYDROLASE YTER

(Bacillus
subtilis) 		PF07470
(Glyco_hydro_88) 		5 ASP A 255
LEU A 260
GLY A 259
TYR A 262
THR A 316
 None
 1.44A 2tsrD-2gh4A:
undetectable		 2tsrD-2gh4A:
21.99
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
ILE A 316
ASP A 426
LEU A 429
GLY A 430
PHE A 433
TYR A 466
 None
None
None
None
DU  A 611 (-3.5A)
None
DU  A 611 (-4.6A)
 0.66A 2tsrD-2h2qA:
16.9		 2tsrD-2h2qA:
38.00
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
TRP A 317
ASP A 426
PHE A 433
TYR A 466
 None
None
None
None
None
DU  A 611 (-4.6A)
 0.83A 2tsrD-2h2qA:
16.9		 2tsrD-2h2qA:
38.00
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) 		6 ILE A 315
ASP A 426
LEU A 429
GLY A 430
TYR A 466
THR A 514
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 4.3A)
None
 0.80A 2tsrD-2oipA:
19.6		 2tsrD-2oipA:
35.07
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) 		5 ILE A 315
LEU A 429
GLY A 430
PHE A 433
TYR A 466
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
 1.12A 2tsrD-2oipA:
19.6		 2tsrD-2oipA:
35.07
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) 		5 ILE A 315
TRP A 316
ASP A 426
GLY A 430
TYR A 466
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 4.3A)
 0.63A 2tsrD-2oipA:
19.6		 2tsrD-2oipA:
35.07
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.
2wed PENICILLOPEPSIN

(Penicillium
janthinellum) 		PF00026
(Asp) 		5 ASP A 300
LEU A 303
GLY A 299
PHE A 298
TYR A  17
 None
 1.21A 2tsrD-2wedA:
undetectable		 2tsrD-2wedA:
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.
2y9e MYOSIN-2

(Dictyostelium
discoideum) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		5 PHE X 551
ILE X 525
ASP X 540
LEU X 543
PHE X 568
 None
 1.41A 2tsrD-2y9eX:
undetectable		 2tsrD-2y9eX:
18.27
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.
3a0g HEMOGLOBIN SUBUNIT
BETA

(Cavia porcellus) 		PF00042
(Globin) 		5 ASP B  47
LEU B  48
GLY B  46
PHE B  45
THR B  38
 None
None
None
None
HEM  B 401 ( 4.4A)
 1.34A 2tsrD-3a0gB:
undetectable		 2tsrD-3a0gB:
20.27
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.
3a31 PROBABLE
THREONYL-TRNA
SYNTHETASE 1

(Aeropyrum
pernix) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 ILE A  18
LEU A 154
GLY A 322
TYR A 152
THR A 161
 None
 0.82A 2tsrD-3a31A:
undetectable		 2tsrD-3a31A:
21.31
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.
3c07 PUTATIVE TETR-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N) 		5 ILE A 145
LEU A 100
GLY A  98
TYR A 192
THR A 202
 None
 1.11A 2tsrD-3c07A:
undetectable		 2tsrD-3c07A:
22.01
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.
3czp PUTATIVE
POLYPHOSPHATE KINASE
2

(Pseudomonas
aeruginosa) 		PF03976
(PPK2) 		5 PHE A 148
ILE A 226
LEU A  61
PHE A 150
THR A 101
 ACT  A 608 ( 4.5A)
None
None
None
None
 1.36A 2tsrD-3czpA:
undetectable		 2tsrD-3czpA:
19.92
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.
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
 1.15A 2tsrD-3emyA:
undetectable		 2tsrD-3emyA:
19.77
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.
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
 1.26A 2tsrD-3jxzA:
undetectable		 2tsrD-3jxzA:
20.69
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) 		5 PHE A  60
LEU A 200
GLY A 201
PHE A 204
TYR A 237
 None
 0.64A 2tsrD-3kgbA:
36.4		 2tsrD-3kgbA:
57.74
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) 		5 ILE A 306
LEU A 419
GLY A 420
PHE A 423
TYR A 456
 GOL  A 516 (-3.9A)
None
None
None
None
 1.05A 2tsrD-3kjrA:
12.3		 2tsrD-3kjrA:
34.30
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.
3mwc MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Kosmotoga
olearia) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A   8
ASP A 115
LEU A 116
PHE A  91
THR A   3
 None
 1.46A 2tsrD-3mwcA:
undetectable		 2tsrD-3mwcA:
21.65
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.
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
 1.36A 2tsrD-3obiA:
undetectable		 2tsrD-3obiA:
19.31
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.
3qqc DNA-DIRECTED RNA
POLYMERASE SUBUNIT
B, DNA-DIRECTED RNA
POLYMERASE SUBUNIT
A', DNA-DIRECTED RNA
POLYMERASE SUBUNIT
A''

(Pyrococcus
furiosus) 		PF04560
(RNA_pol_Rpb2_7)
PF04997
(RNA_pol_Rpb1_1) 		5 PHE A 415
ILE A  56
ASP A 265
GLY A 421
THR A 152
 None
 1.15A 2tsrD-3qqcA:
undetectable		 2tsrD-3qqcA:
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.
3rit DIPEPTIDE EPIMERASE

(Methylococcus
capsulatus) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A 302
LEU A 352
GLY A 333
PHE A 335
TYR A 354
 None
 1.42A 2tsrD-3ritA:
undetectable		 2tsrD-3ritA:
20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima) 		PF13458
(Peripla_BP_6) 		5 PHE A  36
ASP A 299
LEU A 296
GLY A 297
THR A 118
 PHE  A 400 (-3.7A)
None
None
None
PHE  A 400 (-2.8A)
 1.33A 2tsrD-3td9A:
undetectable		 2tsrD-3td9A:
22.36
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 ASP A 217
LEU A 220
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 0.72A 2tsrD-3v8hA:
undetectable		 2tsrD-3v8hA:
34.68
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.
3vrd FLAVOCYTOCHROME C
FLAVIN SUBUNIT
FLAVOCYTOCHROME C
HEME SUBUNIT

(Thermochromatium
tepidum) 		PF07992
(Pyr_redox_2)
PF09242
(FCSD-flav_bind)
no annotation 		5 ILE A  29
ASP B 398
GLY A  16
TYR B  20
THR B 336
 HEC  A 201 ( 4.3A)
None
None
None
HEC  A 201 (-3.3A)
 1.49A 2tsrD-3vrdA:
undetectable		 2tsrD-3vrdA:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a5w COMPLEMENT C5

(Homo sapiens) 		PF00207
(A2M)
PF01759
(NTR)
PF01835
(A2M_N)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF07703
(A2M_N_2) 		5 PHE A  31
ASP A 631
LEU A 632
GLY A 507
THR A 652
 None
 1.49A 2tsrD-4a5wA:
undetectable		 2tsrD-4a5wA:
12.02
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)
 0.60A 2tsrD-4dq1A:
34.5		 2tsrD-4dq1A:
46.43
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
TRP A  80
ASP A 169
GLY A 173
TYR A 209
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 ( 4.6A)
 0.77A 2tsrD-4fogA:
22.5		 2tsrD-4fogA:
47.88
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.
4h1x PHOSPHATE-BINDING
PROTEIN PSTS 2

(Streptococcus
pneumoniae) 		PF12849
(PBP_like_2) 		5 PHE A 150
ILE A 151
ASP A 232
LEU A 184
GLY A 144
 None
 1.37A 2tsrD-4h1xA:
undetectable		 2tsrD-4h1xA:
20.89
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.
4hp8 2-DEOXY-D-GLUCONATE
3-DEHYDROGENASE

(Agrobacterium
fabrum) 		PF13561
(adh_short_C2) 		5 ILE A 203
ASP A 241
LEU A 140
GLY A 183
THR A 153
 None
 1.30A 2tsrD-4hp8A:
undetectable		 2tsrD-4hp8A:
21.43
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)
 0.19A 2tsrD-4iqqA:
12.9		 2tsrD-4iqqA:
63.29
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.
4k9q BENZOYLFORMATE
DECARBOXYLASE

(Polynucleobacter
necessarius) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 PHE A 465
ILE A 461
ASP A 478
LEU A 477
THR A 471
 None
TPP  A 602 (-3.9A)
None
None
None
 1.50A 2tsrD-4k9qA:
undetectable		 2tsrD-4k9qA:
21.89
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.
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
 1.41A 2tsrD-4lq1A:
undetectable		 2tsrD-4lq1A:
17.78
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.
4ohq TRIOSEPHOSPHATE
ISOMERASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00121
(TIM) 		5 ILE A  60
ASP A  28
LEU A  25
GLY A 239
PHE A 242
 None
 1.42A 2tsrD-4ohqA:
undetectable		 2tsrD-4ohqA:
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.
4pdd TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Polaromonas sp.
JS666) 		PF03480
(DctP) 		5 ILE A 328
ASP A 134
LEU A 135
GLY A 132
THR A  98
 None
 1.25A 2tsrD-4pddA:
undetectable		 2tsrD-4pddA:
22.02
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.
4pkv LETHAL FACTOR

(Bacillus
anthracis) 		PF07737
(ATLF)
PF09156
(Anthrax-tox_M) 		5 PHE A 688
ILE A 666
GLY A 683
PHE A 684
TYR A 728
 None
None
30R  A 801 ( 4.2A)
None
30R  A 801 (-3.4A)
 1.43A 2tsrD-4pkvA:
undetectable		 2tsrD-4pkvA:
19.51
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)
 0.56A 2tsrD-4xscA:
24.4		 2tsrD-4xscA:
65.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xsc THYMIDYLATE SYNTHASE

(Human
alphaherpesvirus
3) 		PF00303
(Thymidylat_synt) 		5 PHE A  68
ILE A  96
TRP A  97
PHE A 213
TYR A 246
 None
1PE  A1002 (-4.6A)
1PE  A1002 (-4.7A)
1PE  A1002 (-3.8A)
BVP  A1001 (-4.5A)
 0.85A 2tsrD-4xscA:
24.4		 2tsrD-4xscA:
65.27
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.
4yu4 HEMOGLOBIN

(Helogale
parvula) 		PF00042
(Globin) 		5 ASP B  47
LEU B  48
GLY B  46
PHE B  45
THR B  38
 None
None
None
None
HEM  B 201 ( 4.5A)
 1.47A 2tsrD-4yu4B:
undetectable		 2tsrD-4yu4B:
18.99
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)
 0.41A 2tsrD-5by6A:
12.9		 2tsrD-5by6A:
62.99
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.
5eui HBB PROTEIN

(Ochotona
princeps) 		PF00042
(Globin) 		5 ASP B  47
LEU B  48
GLY B  46
PHE B  45
THR B  38
 None
None
None
None
HEM  B 201 (-4.1A)
 1.44A 2tsrD-5euiB:
undetectable		 2tsrD-5euiB:
17.88
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.
5gru DIABODY PROTEIN

(Homo sapiens;
Mus musculus) 		PF07686
(V-set) 		5 ILE L 217
ASP H 117
GLY H  99
TYR L 176
THR H 103
 ILE  L 217 ( 0.7A)
ASP  H 117 ( 0.6A)
GLY  H  99 ( 0.0A)
TYR  L 176 ( 1.3A)
THR  H 103 ( 0.8A)
 1.47A 2tsrD-5gruL:
undetectable		 2tsrD-5gruL:
21.64
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
ILE A 132
ASP A 242
GLY A 246
PHE A 249
TYR A 282
 D16  A 401 (-3.6A)
D16  A 401 ( 4.0A)
D16  A 401 ( 4.0A)
D16  A 401 ( 3.2A)
D16  A 401 (-3.4A)
UMP  A 402 (-4.5A)
 0.31A 2tsrD-5h3aA:
20.7		 2tsrD-5h3aA:
70.24
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
ILE A 132
ASP A 242
GLY A 246
TYR A 282
THR A 330
 D16  A 401 (-3.6A)
D16  A 401 ( 4.0A)
D16  A 401 ( 4.0A)
D16  A 401 ( 3.2A)
UMP  A 402 (-4.5A)
None
 0.63A 2tsrD-5h3aA:
20.7		 2tsrD-5h3aA:
70.24
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.
5h9u S-ADENOSYLMETHIONINE
SYNTHASE

(Thermus
thermophilus) 		no annotation 5 ILE C  58
ASP C  26
LEU C  29
GLY C 277
THR C 281
 None
 1.30A 2tsrD-5h9uC:
undetectable		 2tsrD-5h9uC:
21.46
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
 1.16A 2tsrD-5hctA:
undetectable		 2tsrD-5hctA:
19.21
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.
5hzl LMO2445 PROTEIN

(Listeria
monocytogenes) 		no annotation 5 PHE B 116
ILE B 113
ASP B  68
LEU B  69
GLY B  66
 None
 1.49A 2tsrD-5hzlB:
undetectable		 2tsrD-5hzlB:
21.39
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 ASP A 220
LEU A 223
GLY A 224
PHE A 227
TYR A 260
THR A 308
 None
 0.92A 2tsrD-5j7wA:
22.1		 2tsrD-5j7wA:
47.54
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
 0.77A 2tsrD-5j7wA:
22.1		 2tsrD-5j7wA:
47.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k8f ACETYL-COENZYME A
SYNTHETASE

(Cryptococcus
neoformans) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		5 PHE A 523
ILE A 500
GLY A  92
PHE A  89
THR A 514
 None
 1.37A 2tsrD-5k8fA:
undetectable		 2tsrD-5k8fA:
18.14
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.
5m09 SERINE/THREONINE-PRO
TEIN KINASE PKNI

(Mycobacterium
tuberculosis) 		PF00069
(Pkinase) 		5 ILE A  72
ASP A 126
LEU A 125
GLY A 123
THR A 191
 None
 1.32A 2tsrD-5m09A:
undetectable		 2tsrD-5m09A:
24.71
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.
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
 1.35A 2tsrD-5m5xB:
undetectable		 2tsrD-5m5xB:
13.63
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.
5p60 ENDOTHIAPEPSIN

(Cryphonectria
parasitica) 		PF00026
(Asp) 		5 ASP A 307
LEU A 310
GLY A 306
PHE A 305
TYR A  17
 None
 1.15A 2tsrD-5p60A:
undetectable		 2tsrD-5p60A:
18.57
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) 		8 PHE A 374
ILE A 402
TRP A 403
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 None
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)
 0.45A 2tsrD-5t0lA:
19.7		 2tsrD-5t0lA:
34.63
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.
5vq5 ADHESIN

(Escherichia
coli) 		no annotation 5 PHE A 137
ASP A   3
LEU A 175
PHE A  46
THR A 134
 None
None
None
None
IOD  A 306 ( 4.2A)
 1.27A 2tsrD-5vq5A:
undetectable		 2tsrD-5vq5A:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wx1 SERINE PROTEASE NS3

(Pestivirus C) 		PF00271
(Helicase_C)
PF05578
(Peptidase_S31)
PF07652
(Flavi_DEAD) 		5 PHE A 118
ILE A -27
GLY A 173
PHE A 168
THR A -19
 None
 1.13A 2tsrD-5wx1A:
undetectable		 2tsrD-5wx1A:
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.
5xoz TRYPSIN PROTEIN
INHIBITOR 2

(Cicer arietinum) 		no annotation 5 ILE A 117
LEU A 148
GLY A 149
PHE A 135
TYR A 140
 None
 1.16A 2tsrD-5xozA:
undetectable		 2tsrD-5xozA:
14.78
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
 0.56A 2tsrD-6aujA:
33.9		 2tsrD-6aujA:
49.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6cdz THYMIDYLATE SYNTHASE

(Escherichia
coli) 		no annotation 6 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)
 0.46A 2tsrD-6cdzA:
23.5		 2tsrD-6cdzA:
39.81
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 ILE A  79
TRP A  80
ASP A 169
LEU A 172
PHE A 176
 CB3  A 701 (-3.9A)
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.8A)
 0.81A 2tsrD-6cdzA:
23.5		 2tsrD-6cdzA:
39.81