SIMILAR PATTERNS OF AMINO ACIDS FOR 2TSR_C_D16C509_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
1.13A 2tsrC-1am5A:
undetectable
2tsrC-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)
6 GLU A  71
ILE A  93
ASP A 184
GLY A 188
PHE A 191
TYR A 224
None
0.69A 2tsrC-1bsfA:
31.2
2tsrC-1bsfA:
35.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)


(Pneumocystis
carinii)
PF00303
(Thymidylat_synt)
8 PHE A  58
GLU A  65
ILE A  86
ASP A 202
LEU A 205
GLY A 206
PHE A 209
TYR A 242
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.0A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
0.51A 2tsrC-1ci7A:
41.0
2tsrC-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
GLU A  65
ILE A  86
TRP A  87
ASP A 202
PHE A 209
TYR A 242
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.0A)
CB3  A 768 (-3.6A)
None
CB3  A 768 ( 3.6A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
0.64A 2tsrC-1ci7A:
41.0
2tsrC-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.
1g59 GLUTAMYL-TRNA
SYNTHETASE


(Thermus
thermophilus)
PF00749
(tRNA-synt_1c)
5 PHE A 289
GLU A 287
ILE A 290
LEU A  65
GLY A  64
None
1.45A 2tsrC-1g59A:
0.0
2tsrC-1g59A:
20.04
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)
9 PHE A  80
GLU A  87
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 (-3.8A)
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)
0.60A 2tsrC-1hvyA:
43.8
2tsrC-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.
1ize ASPARTIC PROTEINASE

(Aspergillus
oryzae)
PF00026
(Asp)
5 ASP A 300
LEU A 303
GLY A 299
PHE A 298
TYR A  17
None
1.11A 2tsrC-1izeA:
0.0
2tsrC-1izeA:
21.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1j3j BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE


(Plasmodium
falciparum)
PF00303
(Thymidylat_synt)
5 GLU C 382
ASP C 513
LEU C 516
GLY C 517
TYR C 553
None
UMP  C 611 (-4.9A)
None
UMP  C 611 (-3.5A)
UMP  C 611 (-4.9A)
0.73A 2tsrC-1j3jC:
40.0
2tsrC-1j3jC:
50.30
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)
5 GLU C 382
ILE C 403
ASP C 513
GLY C 517
TYR C 553
None
None
UMP  C 611 (-4.9A)
UMP  C 611 (-3.5A)
UMP  C 611 (-4.9A)
0.68A 2tsrC-1j3jC:
40.0
2tsrC-1j3jC:
50.30
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.
1kz7 GUANINE NUCLEOTIDE
EXCHANGE FACTOR DBS


(Mus musculus)
PF00169
(PH)
PF00621
(RhoGEF)
5 PHE A 864
ILE A 818
ASP A 827
LEU A 828
GLY A 826
None
1.47A 2tsrC-1kz7A:
0.0
2tsrC-1kz7A:
23.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pww 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
1.33A 2tsrC-1pwwA:
0.0
2tsrC-1pwwA:
16.65
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 GLU A  58
ASP A 179
GLY A 183
PHE A 186
TYR A 219
None
0.63A 2tsrC-1tisA:
30.7
2tsrC-1tisA:
41.10
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 GLU A  79
ILE A 100
TRP A 101
ASP A 219
LEU A 222
GLY A 223
TYR A 259
CB3  A2351 (-3.2A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 ( 4.3A)
0.76A 2tsrC-2aazA:
undetectable
2tsrC-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)
6 ILE A 100
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
0.89A 2tsrC-2aazA:
undetectable
2tsrC-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
GLU A  79
ILE A 100
TRP A 101
ASP A 219
GLY A 223
TYR A 259
CB3  A2351 (-3.9A)
CB3  A2351 (-3.2A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 ( 3.6A)
CB3  A2351 ( 3.2A)
CB3  A2351 ( 4.3A)
0.80A 2tsrC-2aazA:
undetectable
2tsrC-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)
6 PHE A  72
ILE A 100
ASP A 219
GLY A 223
PHE A 226
TYR A 259
CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
0.98A 2tsrC-2aazA:
undetectable
2tsrC-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.
2b30 PVIVAX HYPOTHETICAL
PROTEIN


(Plasmodium
vivax)
PF08282
(Hydrolase_3)
5 GLU A 142
ILE A 101
ASP A 104
GLY A 107
TYR A 236
None
1.49A 2tsrC-2b30A:
undetectable
2tsrC-2b30A:
20.92
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.
2bwp 5-AMINOLEVULINATE
SYNTHASE


(Rhodobacter
capsulatus)
PF00155
(Aminotran_1_2)
5 ARG A  84
ILE A 257
GLY A 255
PHE A 112
TYR A 250
None
1.11A 2tsrC-2bwpA:
undetectable
2tsrC-2bwpA:
22.12
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.
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
1.29A 2tsrC-2ct6A:
undetectable
2tsrC-2ct6A:
16.21
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)
0.63A 2tsrC-2h2qA:
40.0
2tsrC-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
GLU A 295
ILE A 316
TRP A 317
PHE A 433
TYR A 466
None
None
None
None
None
DU  A 611 (-4.6A)
0.79A 2tsrC-2h2qA:
40.0
2tsrC-2h2qA:
38.00
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.
2hh6 BH3980 PROTEIN

(Bacillus
halodurans)
PF06304
(DUF1048)
5 ILE A  38
ASP A  63
LEU A  62
GLY A  59
PHE A  58
None
1.25A 2tsrC-2hh6A:
undetectable
2tsrC-2hh6A:
19.25
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.
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
1.08A 2tsrC-2hq6A:
undetectable
2tsrC-2hq6A:
22.12
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)
7 GLU A 294
ILE A 315
TRP A 316
ASP A 426
LEU A 429
GLY A 430
TYR A 466
CB3  A 604 ( 3.8A)
CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 4.3A)
0.73A 2tsrC-2oipA:
41.2
2tsrC-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)
1.07A 2tsrC-2oipA:
41.2
2tsrC-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.
2qlp DEOXYCYTIDINE
TRIPHOSPHATE
DEAMINASE


(Mycobacterium
tuberculosis)
PF00692
(dUTPase)
5 GLU A  86
ILE A  32
LEU A  17
GLY A  18
PHE A  88
None
1.29A 2tsrC-2qlpA:
undetectable
2tsrC-2qlpA:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qxx DEOXYCYTIDINE
TRIPHOSPHATE
DEAMINASE


(Mycobacterium
tuberculosis)
PF00692
(dUTPase)
5 GLU A  86
ILE A  32
LEU A  17
GLY A  18
PHE A  88
None
1.36A 2tsrC-2qxxA:
undetectable
2tsrC-2qxxA:
20.53
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)
0.84A 2tsrC-2tddA:
33.5
2tsrC-2tddA:
43.60
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)
0.73A 2tsrC-2tddA:
33.5
2tsrC-2tddA:
43.60
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)
1.11A 2tsrC-2tddA:
33.5
2tsrC-2tddA:
43.60
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.
2wed PENICILLOPEPSIN

(Penicillium
janthinellum)
PF00026
(Asp)
5 ASP A 300
LEU A 303
GLY A 299
PHE A 298
TYR A  17
None
1.15A 2tsrC-2wedA:
undetectable
2tsrC-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
1.44A 2tsrC-2y9eX:
undetectable
2tsrC-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.
2z95 GDP-D-MANNOSE
DEHYDRATASE


(Aquifex
aeolicus)
PF16363
(GDP_Man_Dehyd)
5 PHE A 145
GLU A 141
ILE A 177
ASP A 220
GLY A 306
None
1.49A 2tsrC-2z95A:
undetectable
2tsrC-2z95A:
20.28
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.
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
1.19A 2tsrC-3b0qA:
undetectable
2tsrC-3b0qA:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cea MYO-INOSITOL
2-DEHYDROGENASE


(Lactobacillus
plantarum)
PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C)
5 ARG A  17
PHE A 169
GLU A 223
ILE A 181
GLY A 159
NAD  A 400 (-3.2A)
None
None
None
None
1.42A 2tsrC-3ceaA:
undetectable
2tsrC-3ceaA:
21.95
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.
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
1.10A 2tsrC-3emyA:
undetectable
2tsrC-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.
3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC


(Caulobacter
vibrioides)
PF01964
(ThiC_Rad_SAM)
PF13667
(ThiC-associated)
5 PHE A 439
GLU A 429
LEU A 396
GLY A 397
TYR A 353
None
1.41A 2tsrC-3epmA:
undetectable
2tsrC-3epmA:
19.06
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
0.78A 2tsrC-3ix6A:
33.0
2tsrC-3ix6A:
41.58
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.
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
1.27A 2tsrC-3izq1:
undetectable
2tsrC-3izq1:
18.23
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.
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 2tsrC-3jxzA:
undetectable
2tsrC-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)
6 PHE A  60
GLU A  67
LEU A 200
GLY A 201
PHE A 204
TYR A 237
None
0.74A 2tsrC-3kgbA:
36.4
2tsrC-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 GLU A 285
ILE A 306
TRP A 307
LEU A 419
GLY A 420
GOL  A 516 (-3.2A)
GOL  A 516 (-3.9A)
GOL  A 516 (-3.7A)
None
None
0.85A 2tsrC-3kjrA:
40.8
2tsrC-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.
3l2n PEPTIDASE M14,
CARBOXYPEPTIDASE A


(Shewanella
denitrificans)
PF00246
(Peptidase_M14)
5 ARG A  83
PHE A 109
GLU A 169
GLY A 263
PHE A 338
None
None
CA  A 377 (-2.1A)
None
None
1.24A 2tsrC-3l2nA:
undetectable
2tsrC-3l2nA:
23.27
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
1.38A 2tsrC-3obiA:
undetectable
2tsrC-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.
3q3h HMW1C-LIKE
GLYCOSYLTRANSFERASE


(Actinobacillus
pleuropneumoniae)
no annotation 5 PHE A 609
ILE A 341
ASP A 313
LEU A 296
PHE A 294
None
1.37A 2tsrC-3q3hA:
undetectable
2tsrC-3q3hA:
20.41
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.
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
1.49A 2tsrC-3ritA:
undetectable
2tsrC-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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE


(Plasmodium
falciparum)
PF00186
(DHFR_1)
PF00303
(Thymidylat_synt)
5 GLU A 382
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)
0.73A 2tsrC-3um6A:
40.3
2tsrC-3um6A:
28.95
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE


(Plasmodium
falciparum)
PF00186
(DHFR_1)
PF00303
(Thymidylat_synt)
5 GLU A 382
ILE A 403
ASP A 513
GLY A 517
TYR A 553
None
None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
0.68A 2tsrC-3um6A:
40.3
2tsrC-3um6A:
28.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3v8h THYMIDYLATE SYNTHASE

(Burkholderia
thailandensis)
PF00303
(Thymidylat_synt)
6 GLU A  58
ASP A 217
LEU A 220
GLY A 221
PHE A 224
TYR A 257
None
None
None
None
None
CIT  A 400 (-4.5A)
0.76A 2tsrC-3v8hA:
34.5
2tsrC-3v8hA:
34.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dq1 THYMIDYLATE SYNTHASE

(Staphylococcus
aureus)
PF00303
(Thymidylat_synt)
5 GLU A  63
ASP A 224
LEU A 227
GLY A 228
TYR A 264
None
None
None
UMP  A 501 ( 4.0A)
UMP  A 501 (-4.2A)
0.75A 2tsrC-4dq1A:
33.9
2tsrC-4dq1A:
46.43
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)
0.67A 2tsrC-4dq1A:
33.9
2tsrC-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)
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)
0.71A 2tsrC-4fogA:
36.7
2tsrC-4fogA:
47.88
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
ASP A 172
LEU A 175
GLY A 176
TYR A 212
None
None
None
UMP  A 301 (-3.6A)
UMP  A 301 (-4.5A)
0.79A 2tsrC-4h0uA:
35.4
2tsrC-4h0uA:
46.25
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)
0.51A 2tsrC-4h0uA:
35.4
2tsrC-4h0uA:
46.25
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)
7 GLU A  89
ILE A 110
ASP A 220
LEU A 223
GLY A 224
PHE A 227
TYR A 260
None
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)
0.33A 2tsrC-4iqqA:
42.9
2tsrC-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.
4jpq UNCHARACTERIZED
PROTEIN


(Bacteroides
uniformis)
PF16011
(CBM9_2)
5 PHE A 122
ILE A 191
ASP A 110
LEU A 143
PHE A 135
None
1.46A 2tsrC-4jpqA:
undetectable
2tsrC-4jpqA:
20.71
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.
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
1.36A 2tsrC-4lq1A:
undetectable
2tsrC-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
1.34A 2tsrC-4ohqA:
undetectable
2tsrC-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.
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)
1.36A 2tsrC-4pkvA:
undetectable
2tsrC-4pkvA:
19.51
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.
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
1.09A 2tsrC-4r3eA:
undetectable
2tsrC-4r3eA:
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.
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)
1.06A 2tsrC-4r3fA:
undetectable
2tsrC-4r3fA:
22.51
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.
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
1.37A 2tsrC-4rjzA:
undetectable
2tsrC-4rjzA:
21.31
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
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)
0.39A 2tsrC-4xscA:
40.5
2tsrC-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)
7 PHE A  68
GLU A  75
ILE A  96
ASP A 206
LEU A 209
GLY A 210
TYR A 246
None
1PE  A1002 ( 4.4A)
1PE  A1002 (-4.6A)
None
None
BVP  A1001 (-3.4A)
BVP  A1001 (-4.5A)
0.60A 2tsrC-4xscA:
40.5
2tsrC-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)
6 PHE A  68
GLU A  75
ILE A  96
TRP A  97
PHE A 213
TYR A 246
None
1PE  A1002 ( 4.4A)
1PE  A1002 (-4.6A)
1PE  A1002 (-4.7A)
1PE  A1002 (-3.8A)
BVP  A1001 (-4.5A)
0.77A 2tsrC-4xscA:
40.5
2tsrC-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.
4y9w ASPARTIC ACID
ENDOPEPTIDASE SAPP2


(Candida
parapsilosis)
PF00026
(Asp)
5 ILE A 267
ASP A 301
LEU A 304
GLY A 300
TYR A  14
None
1.25A 2tsrC-4y9wA:
undetectable
2tsrC-4y9wA:
22.60
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.
4ye9 GLUTAMINE--TRNA
LIGASE


(Homo sapiens)
PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C)
PF04557
(tRNA_synt_1c_R2)
PF04558
(tRNA_synt_1c_R1)
5 ARG A 267
PHE A 268
ILE A 284
GLY A 289
PHE A 288
None
1.17A 2tsrC-4ye9A:
undetectable
2tsrC-4ye9A:
17.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5by6 THYMIDYLATE SYNTHASE

(Trichinella
spiralis)
PF00303
(Thymidylat_synt)
7 PHE A  74
GLU A  81
ILE A 102
ASP A 212
GLY A 216
PHE A 219
TYR A 252
None
DTT  A 402 (-3.0A)
DTT  A 402 ( 4.3A)
None
UMP  A 401 (-3.5A)
DTT  A 402 ( 4.1A)
UMP  A 401 (-4.6A)
0.46A 2tsrC-5by6A:
42.8
2tsrC-5by6A:
62.99
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)
5 PHE A  74
GLU A  81
ILE A 102
TRP A 103
PHE A 219
None
DTT  A 402 (-3.0A)
DTT  A 402 ( 4.3A)
DTT  A 402 ( 4.1A)
DTT  A 402 ( 4.1A)
0.70A 2tsrC-5by6A:
42.8
2tsrC-5by6A:
62.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5h3a ORF70

(Human
gammaherpesvirus
8)
PF00303
(Thymidylat_synt)
7 PHE A 104
GLU A 111
ILE A 132
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)
D16  A 401 ( 4.0A)
D16  A 401 ( 3.2A)
D16  A 401 (-3.4A)
UMP  A 402 (-4.5A)
0.30A 2tsrC-5h3aA:
43.9
2tsrC-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)
5 PHE A 104
GLU A 111
ILE A 132
TRP A 133
PHE A 249
D16  A 401 (-3.6A)
D16  A 401 ( 4.7A)
D16  A 401 ( 4.0A)
None
D16  A 401 (-3.4A)
0.75A 2tsrC-5h3aA:
43.9
2tsrC-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.
5hct ENDOTHIAPEPSIN

(Cryphonectria
parasitica)
PF00026
(Asp)
5 ASP A 307
LEU A 310
GLY A 306
PHE A 305
TYR A  17
None
1.08A 2tsrC-5hctA:
undetectable
2tsrC-5hctA:
19.21
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
0.77A 2tsrC-5j7wA:
33.4
2tsrC-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)
6 GLU A  59
ILE A  80
ASP A 220
GLY A 224
PHE A 227
TYR A 260
None
0.77A 2tsrC-5j7wA:
33.4
2tsrC-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.
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
1.28A 2tsrC-5ji5A:
undetectable
2tsrC-5ji5A:
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.
5m0y CELLULOSOME
ANCHORING PROTEIN
COHESIN REGION


(Ruminiclostridium
thermocellum)
PF00963
(Cohesin)
5 ILE A  21
ASP A 148
LEU A 157
GLY A 158
PHE A 146
None
1.48A 2tsrC-5m0yA:
undetectable
2tsrC-5m0yA:
18.57
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.
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 2tsrC-5m5xB:
undetectable
2tsrC-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.
5n7q PUTATIVE CATHEPSIN D

(Ixodes ricinus)
no annotation 5 ASP A 316
LEU A 319
GLY A 315
PHE A 318
TYR A  18
None
1.46A 2tsrC-5n7qA:
undetectable
2tsrC-5n7qA:
10.86
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.
5p60 ENDOTHIAPEPSIN

(Cryphonectria
parasitica)
PF00026
(Asp)
5 ASP A 307
LEU A 310
GLY A 306
PHE A 305
TYR A  17
None
1.07A 2tsrC-5p60A:
undetectable
2tsrC-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)
10 ARG A 603
PHE A 374
GLU A 381
ILE A 402
TRP A 403
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
CB3  A 703 (-3.2A)
None
CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
0.81A 2tsrC-5t0lA:
42.2
2tsrC-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.
5v1b EGL NINE HOMOLOG 2

(Homo sapiens)
PF13640
(2OG-FeII_Oxy_3)
5 GLU A 209
ILE A 253
ASP A 345
LEU A 198
GLY A 203
None
1.50A 2tsrC-5v1bA:
undetectable
2tsrC-5v1bA:
22.68
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.
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
1.07A 2tsrC-5xozA:
undetectable
2tsrC-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)
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
0.61A 2tsrC-6aujA:
33.9
2tsrC-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 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)
0.54A 2tsrC-6cdzA:
36.7
2tsrC-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 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)
0.78A 2tsrC-6cdzA:
36.7
2tsrC-6cdzA:
39.81
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.
6ehc OUTER MEMBRANE
PROTEIN U


(Vibrio cholerae)
no annotation 5 GLU A 212
ILE A 129
ASP A 105
GLY A 106
TYR A  87
None
1.46A 2tsrC-6ehcA:
undetectable
2tsrC-6ehcA:
13.96