SIMILAR PATTERNS OF AMINO ACIDS FOR 5X66_F_MTXF402_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.
1bs0 PROTEIN
(8-AMINO-7-OXONANOAT
E SYNTHASE)

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		5 ILE A 283
ASP A  48
GLY A 239
PHE A 238
ALA A 367
 None
 1.00A 5x66F-1bs0A:
0.0		 5x66F-1bs0A:
20.62
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 LYS A  61
ILE A  93
ASP A 184
GLY A 188
PHE A 191
TYR A 224
 None
 0.80A 5x66F-1bsfA:
32.1		 5x66F-1bsfA:
37.21
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 LYS A  61
ILE A  93
ASP A 184
LEU A 187
GLY A 188
PHE A 191
 None
 0.84A 5x66F-1bsfA:
32.1		 5x66F-1bsfA:
37.21
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 LYS A  61
ILE A  93
GLY A 188
PHE A 191
TYR A 224
ALA A 278
 None
 0.93A 5x66F-1bsfA:
32.1		 5x66F-1bsfA:
37.21
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 LYS A  61
ILE A  93
LEU A 187
GLY A 188
PHE A 191
ALA A 278
 None
 1.14A 5x66F-1bsfA:
32.1		 5x66F-1bsfA:
37.21
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 LYS A  55
PHE A  58
ILE A  86
LEU A 205
PHE A 209
TYR A 242
MET A 295
 CB3  A 768 ( 4.9A)
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)
CB3  A 768 (-3.8A)
 1.16A 5x66F-1ci7A:
42.8		 5x66F-1ci7A:
61.28
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) 		9 PHE A  58
ILE A  86
ASP A 202
LEU A 205
GLY A 206
PHE A 209
TYR A 242
THR A 290
MET A 295
 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)
None
CB3  A 768 (-3.8A)
 0.73A 5x66F-1ci7A:
42.8		 5x66F-1ci7A:
61.28
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.
1cm0 P300/CBP ASSOCIATING
FACTOR

(Homo sapiens) 		no annotation 5 ILE B 549
LEU B 518
GLY B 517
ALA B 575
VAL B 576
 None
None
None
COA  B 700 (-3.7A)
COA  B 700 (-4.2A)
 0.85A 5x66F-1cm0B:
0.0		 5x66F-1cm0B:
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.
1htt HISTIDYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		5 ILE A 145
GLY A 285
TYR A 288
ALA A 302
VAL A 132
 None
HIS  A 450 ( 3.8A)
None
None
None
 0.99A 5x66F-1httA:
undetectable		 5x66F-1httA:
20.48
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) 		8 LYS A  77
ASP A 218
GLY A 222
TYR A 258
THR A 306
MET A 311
ALA A 312
VAL A 313
 D16  A 414 ( 4.3A)
D16  A 414 ( 3.6A)
D16  A 414 (-3.3A)
UMP  A 314 ( 4.4A)
None
D16  A 414 (-3.4A)
D16  A 414 (-3.6A)
None
 1.13A 5x66F-1hvyA:
47.3		 5x66F-1hvyA:
100.00
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 LYS A  77
ASP A 218
LEU A 221
GLY A 222
TYR A 258
MET A 311
ALA A 312
VAL A 313
 D16  A 414 ( 4.3A)
D16  A 414 ( 3.6A)
D16  A 414 (-4.0A)
D16  A 414 (-3.3A)
UMP  A 314 ( 4.4A)
D16  A 414 (-3.4A)
D16  A 414 (-3.6A)
None
 1.09A 5x66F-1hvyA:
47.3		 5x66F-1hvyA:
100.00
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) 		10 LYS A  77
PHE A  80
ILE A 108
ASP A 218
GLY A 222
PHE A 225
TYR A 258
THR A 306
MET A 311
ALA A 312
 D16  A 414 ( 4.3A)
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)
None
D16  A 414 (-3.4A)
D16  A 414 (-3.6A)
 0.60A 5x66F-1hvyA:
47.3		 5x66F-1hvyA:
100.00
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) 		10 LYS A  77
PHE A  80
ILE A 108
ASP A 218
LEU A 221
GLY A 222
PHE A 225
TYR A 258
MET A 311
ALA A 312
 D16  A 414 ( 4.3A)
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)
D16  A 414 (-3.4A)
D16  A 414 (-3.6A)
 0.53A 5x66F-1hvyA:
47.3		 5x66F-1hvyA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1j3j BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00303
(Thymidylat_synt) 		6 LYS C 372
ILE C 403
ASP C 513
LEU C 516
GLY C 517
TYR C 553
 None
None
UMP  C 611 (-4.9A)
None
UMP  C 611 (-3.5A)
UMP  C 611 (-4.9A)
 0.59A 5x66F-1j3jC:
41.4		 5x66F-1j3jC:
53.14
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.
1prz RIBOSOMAL LARGE
SUBUNIT
PSEUDOURIDINE
SYNTHASE D

(Escherichia
coli) 		PF00849
(PseudoU_synth_2) 		6 ASP A 250
LEU A 247
GLY A 249
PHE A 274
TYR A 253
THR A 222
 None
 1.47A 5x66F-1przA:
0.0		 5x66F-1przA:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q1n HYPOTHETICAL
ZINC-TYPE ALCOHOL
DEHYDROGENASE-LIKE
PROTEIN IN PRE5-FET4
INTERGENIC REGION

(Saccharomyces
cerevisiae) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ILE A 191
LEU A 188
GLY A 187
THR A 206
VAL A 345
 None
 1.08A 5x66F-1q1nA:
0.0		 5x66F-1q1nA:
20.92
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
 0.73A 5x66F-1tisA:
31.1		 5x66F-1tisA:
43.41
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.
1x1e 2-DEOXY-D-GLUCONATE
3-DEHYDROGENASE

(Thermus
thermophilus) 		PF13561
(adh_short_C2) 		5 ILE A 195
ASP A 233
GLY A 175
THR A 145
ALA A 238
 None
 0.86A 5x66F-1x1eA:
undetectable		 5x66F-1x1eA:
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.
2a4v PEROXIREDOXIN DOT5

(Saccharomyces
cerevisiae) 		PF00578
(AhpC-TSA) 		5 ILE A  82
LEU A 130
GLY A 129
PHE A 128
ALA A 132
 None
 0.95A 5x66F-2a4vA:
undetectable		 5x66F-2a4vA:
18.49
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) 		8 LYS A  69
PHE A  72
ILE A 100
ASP A 219
LEU A 222
GLY A 223
TYR A 259
MET A 315
 CB3  A2351 ( 4.1A)
CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 ( 4.3A)
CB3  A2351 (-3.4A)
 0.64A 5x66F-2aazA:
undetectable		 5x66F-2aazA:
61.84
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
GLY A 223
PHE A 226
TYR A 259
MET A 315
 CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 ( 3.6A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
CB3  A2351 (-3.4A)
 1.03A 5x66F-2aazA:
undetectable		 5x66F-2aazA:
61.84
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.
2cb1 O-ACETYL HOMOSERINE
SULFHYDRYLASE

(Thermus
thermophilus) 		PF01053
(Cys_Met_Meta_PP) 		5 ILE A 330
LEU A 185
GLY A 180
PHE A 179
ALA A 284
 None
 1.14A 5x66F-2cb1A:
undetectable		 5x66F-2cb1A:
23.81
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.
2cb1 O-ACETYL HOMOSERINE
SULFHYDRYLASE

(Thermus
thermophilus) 		PF01053
(Cys_Met_Meta_PP) 		5 LEU A 185
GLY A 180
PHE A 179
TYR A   3
ALA A 280
 None
 0.98A 5x66F-2cb1A:
undetectable		 5x66F-2cb1A:
23.81
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.
2cbn RIBONUCLEASE Z

(Escherichia
coli) 		PF12706
(Lactamase_B_2) 		5 ILE A  22
ASP A 212
GLY A 211
ALA A  10
VAL A 271
 None
ZN  A 402 ( 2.3A)
None
None
None
 1.17A 5x66F-2cbnA:
undetectable		 5x66F-2cbnA:
23.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gmy HYPOTHETICAL PROTEIN
ATU0492

(Agrobacterium
fabrum) 		PF02627
(CMD) 		5 ILE A 123
ASP A  93
LEU A  89
GLY A  90
THR A  82
 None
 0.94A 5x66F-2gmyA:
undetectable		 5x66F-2gmyA:
17.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2goy ADENOSINE
PHOSPHOSULFATE
REDUCTASE

(Pseudomonas
aeruginosa) 		PF01507
(PAPS_reduct) 		5 PHE A 193
ILE A  45
LEU A  69
GLY A 161
MET A  72
 None
 1.15A 5x66F-2goyA:
undetectable		 5x66F-2goyA:
23.58
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 LYS A 285
PHE A 288
ILE A 316
ASP A 426
LEU A 429
PHE A 433
TYR A 466
 None
None
None
None
None
None
DU  A 611 (-4.6A)
 1.07A 5x66F-2h2qA:
39.9		 5x66F-2h2qA:
42.37
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)
 0.61A 5x66F-2h2qA:
39.9		 5x66F-2h2qA:
42.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ist RIBOSOMAL LARGE
SUBUNIT
PSEUDOURIDINE
SYNTHASE D

(Escherichia
coli) 		PF00849
(PseudoU_synth_2)
PF01479
(S4) 		6 ASP A 250
LEU A 247
GLY A 249
PHE A 274
TYR A 253
THR A 222
 None
 1.48A 5x66F-2istA:
undetectable		 5x66F-2istA:
20.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ILE A 315
ASP A 426
GLY A 430
PHE A 433
TYR A 466
MET A 519
ALA A 520
VAL A 521
 CB3  A 604 ( 3.7A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 3.5A)
CB3  A 604 ( 4.0A)
None
 1.27A 5x66F-2oipA:
43.5		 5x66F-2oipA:
38.51
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) 		10 LYS A 284
ILE A 315
ASP A 426
LEU A 429
GLY A 430
TYR A 466
THR A 514
MET A 519
ALA A 520
VAL A 521
 CB3  A 604 ( 4.7A)
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
CB3  A 604 ( 3.5A)
CB3  A 604 ( 4.0A)
None
 0.86A 5x66F-2oipA:
43.5		 5x66F-2oipA:
38.51
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.
2r6z UPF0341 PROTEIN IN
RSP 3' REGION

(Neisseria
gonorrhoeae) 		PF04445
(SAM_MT) 		5 ILE A  55
GLY A 124
THR A  11
ALA A 118
VAL A 117
 None
 1.15A 5x66F-2r6zA:
undetectable		 5x66F-2r6zA:
20.60
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) 		6 ILE A  81
ASP A 221
LEU A 224
GLY A 225
PHE A 228
TYR A 261
 THF  A 568 ( 4.8A)
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)
 1.15A 5x66F-2tddA:
35.2		 5x66F-2tddA:
45.09
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) 		6 LYS A  50
ILE A  81
ASP A 221
LEU A 224
GLY A 225
TYR A 261
 THF  A 568 ( 4.7A)
THF  A 568 ( 4.8A)
UFP  A 529 (-4.7A)
THF  A 568 (-3.6A)
UFP  A 529 ( 4.0A)
UFP  A 529 (-4.7A)
 0.74A 5x66F-2tddA:
35.2		 5x66F-2tddA:
45.09
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.
3fd2 SITE-SPECIFIC DNA
ENDONUCLEASE I-MSOI

(Monomastix sp.
OKE-1) 		PF00961
(LAGLIDADG_1) 		5 ILE A  61
GLY A  23
PHE A  18
TYR A  26
ALA A  45
 None
 1.05A 5x66F-3fd2A:
undetectable		 5x66F-3fd2A:
21.67
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.
3fd2 SITE-SPECIFIC DNA
ENDONUCLEASE I-MSOI

(Monomastix sp.
OKE-1) 		PF00961
(LAGLIDADG_1) 		5 ILE A 264
GLY A 226
PHE A 221
TYR A 229
ALA A 248
 None
 1.03A 5x66F-3fd2A:
undetectable		 5x66F-3fd2A:
21.67
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.
3fz0 NUCLEOSIDE
HYDROLASE, PUTATIVE

(Trypanosoma
brucei) 		PF01156
(IU_nuc_hydro) 		5 ILE A 161
LEU A 131
THR A  35
ALA A 281
VAL A 282
 None
 0.87A 5x66F-3fz0A:
undetectable		 5x66F-3fz0A:
20.81
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.
3fz4 PUTATIVE ARSENATE
REDUCTASE

(Streptococcus
mutans) 		PF03960
(ArsC) 		5 PHE A  56
ILE A  42
ASP A  88
LEU A  91
GLY A  89
 None
 1.16A 5x66F-3fz4A:
undetectable		 5x66F-3fz4A:
17.81
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.
3i4i 1,3-1,4-BETA-GLUCANA
SE

(uncultured
murine large
bowel bacterium
BAC 14) 		PF00722
(Glyco_hydro_16) 		5 ILE A 108
LEU A  76
GLY A  75
ALA A 212
VAL A 211
 None
 1.17A 5x66F-3i4iA:
undetectable		 5x66F-3i4iA:
21.96
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.
3ihg RDME

(Streptomyces
purpurascens) 		PF01494
(FAD_binding_3) 		5 LEU A 331
GLY A 328
PHE A 329
THR A 350
VAL A  31
 None
 1.03A 5x66F-3ihgA:
undetectable		 5x66F-3ihgA:
22.02
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
ASP A 197
LEU A 200
GLY A 201
PHE A 204
TYR A 237
 None
 0.88A 5x66F-3kgbA:
36.4		 5x66F-3kgbA:
58.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 LYS A 275
ASP A 416
LEU A 419
GLY A 420
TYR A 456
MET A 509
 None
None
None
None
None
GOL  A 516 (-4.0A)
 0.27A 5x66F-3kjrA:
42.8		 5x66F-3kjrA:
37.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 LYS A 275
ILE A 306
ASP A 416
LEU A 419
GLY A 420
TYR A 456
 None
GOL  A 516 (-3.9A)
None
None
None
None
 0.70A 5x66F-3kjrA:
42.8		 5x66F-3kjrA:
37.27
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.
3lp8 PHOSPHORIBOSYLAMINE-
GLYCINE LIGASE

(Ehrlichia
chaffeensis) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 LYS A 214
ILE A 274
LEU A 282
GLY A 271
ALA A 118
 None
 1.15A 5x66F-3lp8A:
undetectable		 5x66F-3lp8A:
21.16
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.
3mip MSO-8G

(synthetic
construct) 		PF00961
(LAGLIDADG_1) 		5 ILE A  61
GLY A  23
PHE A  18
TYR A  26
ALA A  45
 None
 1.03A 5x66F-3mipA:
undetectable		 5x66F-3mipA:
17.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nyq MALONYL-COA LIGASE

(Streptomyces
coelicolor) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 ILE A 389
ASP A 421
LEU A 424
GLY A 425
VAL A 462
 None
 1.14A 5x66F-3nyqA:
undetectable		 5x66F-3nyqA:
20.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nyq MALONYL-COA LIGASE

(Streptomyces
coelicolor) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 ILE A 396
ASP A 421
LEU A 424
GLY A 425
VAL A 462
 None
 1.12A 5x66F-3nyqA:
undetectable		 5x66F-3nyqA:
20.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p9n POSSIBLE
METHYLTRANSFERASE
(METHYLASE)

(Mycobacterium
tuberculosis) 		PF03602
(Cons_hypoth95) 		5 ASP A  49
LEU A  57
GLY A  58
THR A   2
ALA A 118
 None
 1.08A 5x66F-3p9nA:
undetectable		 5x66F-3p9nA:
21.62
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.
3rit DIPEPTIDE EPIMERASE

(Methylococcus
capsulatus) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A 302
LEU A 350
PHE A 335
MET A 105
ALA A 106
 None
 1.13A 5x66F-3ritA:
undetectable		 5x66F-3ritA:
21.81
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.
3rr5 DNA LIGASE

(Thermococcus
sp. 1519) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		5 ILE A 382
LEU A 311
THR A 286
ALA A 313
VAL A 314
 None
 1.06A 5x66F-3rr5A:
undetectable		 5x66F-3rr5A:
18.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rxz POLYSACCHARIDE
DEACETYLASE

(Mycolicibacterium
smegmatis) 		PF01522
(Polysacc_deac_1) 		5 PHE A 159
ILE A 127
GLY A 140
THR A 152
VAL A  79
 None
 1.07A 5x66F-3rxzA:
undetectable		 5x66F-3rxzA:
21.39
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.
3t7i REGULATOR OF TY1
TRANSPOSITION
PROTEIN 107

(Saccharomyces
cerevisiae) 		PF16770
(RTT107_BRCT_5)
PF16771
(RTT107_BRCT_6) 		5 PHE A 878
ILE A 906
GLY A 848
PHE A 845
VAL A 852
 None
 1.13A 5x66F-3t7iA:
undetectable		 5x66F-3t7iA:
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.
3u5r UNCHARACTERIZED
PROTEIN

(Sinorhizobium
meliloti) 		PF00578
(AhpC-TSA) 		5 ILE E  32
GLY E 160
THR E  27
ALA E  65
VAL E  64
 None
 1.17A 5x66F-3u5rE:
undetectable		 5x66F-3u5rE:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ujh GLUCOSE-6-PHOSPHATE
ISOMERASE

(Toxoplasma
gondii) 		PF00342
(PGI) 		5 ILE A 184
LEU A 287
GLY A 285
ALA A 249
VAL A 211
 None
 1.11A 5x66F-3ujhA:
undetectable		 5x66F-3ujhA:
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) 		6 LYS A 372
ILE A 403
ASP A 513
LEU A 516
GLY A 517
TYR A 553
 None
None
UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.60A 5x66F-3um6A:
41.5		 5x66F-3um6A:
27.77
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 LYS A  48
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)
 0.68A 5x66F-3v8hA:
34.7		 5x66F-3v8hA:
35.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vzi CRISPR-ASSOCIATED
PROTEIN CAS5, DVULG
SUBTYPE

(Xanthomonas
oryzae) 		PF09704
(Cas_Cas5d) 		5 ILE A 115
LEU A 211
GLY A 210
ALA A 213
VAL A 214
 None
 1.08A 5x66F-3vziA:
undetectable		 5x66F-3vziA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wdo MFS TRANSPORTER

(Escherichia
coli) 		PF07690
(MFS_1) 		5 PHE A  21
ILE A 116
GLY A 178
THR A 147
ALA A 172
 None
 1.13A 5x66F-3wdoA:
undetectable		 5x66F-3wdoA:
18.98
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) 		7 LYS A  53
ILE A  84
ASP A 224
LEU A 227
GLY A 228
PHE A 231
TYR A 264
 None
None
None
None
UMP  A 501 ( 4.0A)
None
UMP  A 501 (-4.2A)
 0.61A 5x66F-4dq1A:
35.1		 5x66F-4dq1A:
45.76
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.
4e69 2-DEHYDRO-3-DEOXYGLU
CONOKINASE

(Oceanicola
granulosus) 		PF00294
(PfkB) 		5 ILE A 276
ASP A 264
GLY A 261
PHE A 258
ALA A 268
 None
 1.14A 5x66F-4e69A:
undetectable		 5x66F-4e69A:
20.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eq5 DNA LIGASE

(Thermococcus
sibiricus) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		5 ILE A 383
LEU A 312
THR A 287
ALA A 314
VAL A 315
 None
 1.06A 5x66F-4eq5A:
undetectable		 5x66F-4eq5A:
19.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4fog THYMIDYLATE SYNTHASE

(Mycobacterium
tuberculosis) 		PF00303
(Thymidylat_synt) 		5 ILE A  79
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
C2F  A 302 ( 4.6A)
 0.87A 5x66F-4fogA:
38.2		 5x66F-4fogA:
50.52
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 LYS A  48
ILE A  79
ASP A 169
GLY A 173
TYR A 209
 C2F  A 302 ( 3.9A)
C2F  A 302 (-3.3A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 ( 4.6A)
 0.40A 5x66F-4fogA:
38.2		 5x66F-4fogA:
50.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g81 PUTATIVE HEXONATE
DEHYDROGENASE

(Salmonella
enterica) 		no annotation 5 ASP D 249
GLY D 191
THR D 161
ALA D 254
VAL D 255
 None
EDO  D 301 (-4.4A)
None
None
None
 1.04A 5x66F-4g81D:
undetectable		 5x66F-4g81D:
23.85
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) 		6 LYS A  51
ILE A  82
ASP A 172
LEU A 175
GLY A 176
TYR A 212
 None
None
None
None
UMP  A 301 (-3.6A)
UMP  A 301 (-4.5A)
 0.57A 5x66F-4h0uA:
36.7		 5x66F-4h0uA:
47.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hp8 2-DEOXY-D-GLUCONATE
3-DEHYDROGENASE

(Agrobacterium
fabrum) 		PF13561
(adh_short_C2) 		5 ILE A 203
ASP A 241
GLY A 183
THR A 153
ALA A 246
 None
 0.90A 5x66F-4hp8A:
undetectable		 5x66F-4hp8A:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ifa EXTRACELLULAR
PROTEIN CONTAINING A
SCP DOMAIN

(Bacillus
anthracis) 		PF00188
(CAP)
PF14504
(CAP_assoc_N) 		5 LEU A 328
GLY A 327
PHE A 325
ALA A 252
VAL A 254
 None
 1.13A 5x66F-4ifaA:
undetectable		 5x66F-4ifaA:
22.16
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 LYS A  79
ILE A 110
ASP A 220
LEU A 223
GLY A 224
PHE A 227
TYR A 260
 D16  A 402 ( 4.5A)
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)
 0.93A 5x66F-4iqqA:
42.9		 5x66F-4iqqA:
62.54
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.
4ixu ARGINASE-2,
MITOCHONDRIAL

(Homo sapiens) 		PF00491
(Arginase) 		5 PHE A 250
ILE A 252
LEU A 116
GLY A 117
ALA A  47
 None
 1.15A 5x66F-4ixuA:
undetectable		 5x66F-4ixuA:
22.09
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.
4jqt PUTATIVE GLYCOSYL
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF06439
(DUF1080) 		5 ILE A  45
LEU A  63
PHE A  26
THR A  66
ALA A  41
 None
 1.10A 5x66F-4jqtA:
undetectable		 5x66F-4jqtA:
20.50
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.
4k46 ADENYLATE KINASE

(Photobacterium
profundum) 		PF00406
(ADK)
PF05191
(ADK_lid) 		5 PHE A 196
ILE A 107
GLY A   7
PHE A 109
ALA A 180
 None
 1.11A 5x66F-4k46A:
undetectable		 5x66F-4k46A:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kyi VIPD

(Legionella
pneumophila) 		PF01734
(Patatin) 		5 ILE A  95
GLY A  75
THR A 402
ALA A  83
VAL A  84
 None
 1.12A 5x66F-4kyiA:
undetectable		 5x66F-4kyiA:
20.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l0c DEFORMYLASE

(Pseudomonas
putida) 		PF12697
(Abhydrolase_6) 		5 ILE A  31
LEU A  71
GLY A 185
MET A  74
ALA A  73
 None
 1.13A 5x66F-4l0cA:
undetectable		 5x66F-4l0cA:
23.17
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.
4nfu SENESCENCE-ASSOCIATE
D CARBOXYLESTERASE
101

(Arabidopsis
thaliana) 		PF01764
(Lipase_3) 		5 ILE B 221
LEU B 258
GLY B 226
PHE B 223
VAL B  16
 None
 1.16A 5x66F-4nfuB:
undetectable		 5x66F-4nfuB:
21.14
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.
4nsq HISTONE
ACETYLTRANSFERASE
KAT2B

(Homo sapiens) 		PF00583
(Acetyltransf_1) 		5 ILE A 549
LEU A 518
GLY A 517
ALA A 575
VAL A 576
 None
None
None
COA  A 700 (-3.9A)
COA  A 700 (-4.1A)
 0.74A 5x66F-4nsqA:
undetectable		 5x66F-4nsqA:
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.
4onu ACETYLTRANSFERASE
PAT

(Mycolicibacterium
smegmatis) 		PF00027
(cNMP_binding)
PF13302
(Acetyltransf_3) 		5 GLY A 249
PHE A 251
THR A 210
ALA A 236
VAL A 235
 None
 1.13A 5x66F-4onuA:
undetectable		 5x66F-4onuA:
23.01
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.
4rnl POSSIBLE GALACTOSE
MUTAROTASE

(Streptomyces
platensis) 		PF01263
(Aldose_epim) 		5 LEU A 184
GLY A 185
TYR A 259
THR A 180
VAL A 339
 None
 1.03A 5x66F-4rnlA:
undetectable		 5x66F-4rnlA:
21.63
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)
 0.48A 5x66F-4xscA:
41.2		 5x66F-4xscA:
69.66
Potential target for repurposing, i.e. matched protein structure has less than 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 PHE A 268
ILE A 284
GLY A 289
PHE A 288
ALA A 537
 None
 1.14A 5x66F-4ye9A:
undetectable		 5x66F-4ye9A:
16.07
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.
5af3 VAPBC49

(Mycobacterium
tuberculosis) 		PF04255
(DUF433) 		5 ILE A 154
LEU A 141
GLY A 140
ALA A 118
VAL A 150
 None
 0.96A 5x66F-5af3A:
undetectable		 5x66F-5af3A:
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.
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii) 		PF00275
(EPSP_synthase) 		5 ILE A 637
LEU A 720
GLY A 719
PHE A 698
ALA A 745
 None
 1.13A 5x66F-5bs5A:
undetectable		 5x66F-5bs5A:
21.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5by6 THYMIDYLATE SYNTHASE

(Trichinella
spiralis) 		PF00303
(Thymidylat_synt) 		8 LYS A  71
PHE A  74
ILE A 102
ASP A 212
LEU A 215
GLY A 216
PHE A 219
TYR A 252
 None
None
DTT  A 402 ( 4.3A)
None
None
UMP  A 401 (-3.5A)
DTT  A 402 ( 4.1A)
UMP  A 401 (-4.6A)
 0.90A 5x66F-5by6A:
42.8		 5x66F-5by6A:
64.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ds0 PEPTIDASE M42

(Thaumarchaeota
archaeon SCGC
AB-539-E09) 		PF05343
(Peptidase_M42) 		5 PHE A  72
ILE A 114
LEU A  83
PHE A  85
ALA A 142
 None
 1.09A 5x66F-5ds0A:
undetectable		 5x66F-5ds0A:
20.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e5m CYTOTOXIC
T-LYMPHOCYTE PROTEIN
4

(Mus musculus) 		PF07686
(V-set) 		5 LEU A  82
GLY A  81
PHE A  65
ALA A  84
VAL A  85
 GOL  A 201 (-4.7A)
GOL  A 201 (-4.5A)
GOL  A 201 ( 4.6A)
None
None
 0.89A 5x66F-5e5mA:
undetectable		 5x66F-5e5mA:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gnm VITAMIN D(3)
25-HYDROXYLASE

(Pseudonocardia
autotrophica) 		PF00067
(p450) 		5 LEU A 126
GLY A 124
THR A 131
ALA A 360
VAL A 359
 None
 1.07A 5x66F-5gnmA:
undetectable		 5x66F-5gnmA:
21.56
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
ILE A 132
ASP A 242
GLY A 246
PHE A 249
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)
D16  A 401 (-3.4A)
UMP  A 402 (-4.5A)
None
 0.47A 5x66F-5h3aA:
43.5		 5x66F-5h3aA:
71.73
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.
5h5x PUTATIVE
OXIDOREDUCTASE

(Streptomyces
coelicolor) 		PF13561
(adh_short_C2) 		5 ASP A 257
GLY A 201
PHE A 202
ALA A 262
VAL A 263
 None
IPA  A 302 (-4.8A)
IPA  A 302 (-3.3A)
None
None
 1.16A 5x66F-5h5xA:
undetectable		 5x66F-5h5xA:
23.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5j7w THYMIDYLATE SYNTHASE

(Enterococcus
faecalis) 		PF00303
(Thymidylat_synt) 		7 LYS A  49
ASP A 220
LEU A 223
GLY A 224
PHE A 227
TYR A 260
THR A 308
 None
 0.58A 5x66F-5j7wA:
35.1		 5x66F-5j7wA:
48.93
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) 		7 LYS A  49
ILE A  80
ASP A 220
LEU A 223
GLY A 224
PHE A 227
TYR A 260
 None
 0.72A 5x66F-5j7wA:
35.1		 5x66F-5j7wA:
48.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		11 LYS A 371
PHE A 374
ILE A 402
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
MET A 608
ALA A 609
VAL A 610
 CB3  A 703 (-3.2A)
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)
CB3  A 703 (-3.6A)
CB3  A 703 (-3.8A)
None
 1.06A 5x66F-5t0lA:
44.5		 5x66F-5t0lA:
38.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wjp CYCLOHEXADIENYL
DEHYDRATASE

(Candidatus
Pelagibacter
ubique) 		PF00497
(SBP_bac_3) 		5 PHE A 151
ILE A 179
LEU A 157
PHE A 152
VAL A 160
 None
 1.05A 5x66F-5wjpA:
undetectable		 5x66F-5wjpA:
21.57
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.
5x2o TASTE RECEPTOR, TYPE
1, MEMBER 3

(Oryzias latipes) 		PF01094
(ANF_receptor) 		5 LEU B 160
GLY B 161
PHE B 162
ALA B 143
VAL B 142
 None
 0.99A 5x66F-5x2oB:
undetectable		 5x66F-5x2oB:
18.54
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.
5xdr PRE-MRNA-SPLICING
FACTOR ATP-DEPENDENT
RNA HELICASE DHX15

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF04408
(HA2)
PF07717
(OB_NTP_bind) 		5 ILE A 649
LEU A 627
PHE A 617
MET A 593
ALA A 592
 None
 1.10A 5x66F-5xdrA:
undetectable		 5x66F-5xdrA:
19.05
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.
5ysx -

(-) 		no annotation 5 PHE A 170
ILE A 154
GLY A  67
PHE A  65
VAL A 164
 None
 1.13A 5x66F-5ysxA:
undetectable		 5x66F-5ysxA:
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.
5z5d BETA-XYLOSIDASE

(Geobacillus
thermoleovorans) 		no annotation 5 ILE A 442
LEU A 487
GLY A 486
PHE A 485
ALA A 390
 None
 1.17A 5x66F-5z5dA:
undetectable		 5x66F-5z5dA:
13.99
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 ASP A 177
LEU A 180
GLY A 181
PHE A 184
TYR A 217
 None
None
PGE  A 301 ( 4.0A)
PGE  A 301 (-3.7A)
None
 0.65A 5x66F-6aujA:
34.1		 5x66F-6aujA:
51.54
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
 0.66A 5x66F-6aujA:
34.1		 5x66F-6aujA:
51.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6cdz THYMIDYLATE SYNTHASE

(Escherichia
coli) 		no annotation 7 LYS A  48
ILE A  79
ASP A 169
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 CB3  A 701 ( 4.8A)
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 5x66F-6cdzA:
38.1		 5x66F-6cdzA:
49.41
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.
6evj RNA-DIRECTED RNA
POLYMERASE CATALYTIC
SUBUNIT

(Influenza A
virus) 		no annotation 5 GLY B 245
THR B 400
MET B 343
ALA B 340
VAL B 339
 None
 1.14A 5x66F-6evjB:
undetectable		 5x66F-6evjB:
17.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f91 PUTATIVE
ALPHA-1,2-MANNOSIDAS
E

(Bacteroides
thetaiotaomicron) 		no annotation 5 ILE A 150
LEU A 203
GLY A 202
PHE A 236
VAL A 206
 None
EDO  A 805 (-4.5A)
None
None
None
 1.14A 5x66F-6f91A:
undetectable		 5x66F-6f91A:
14.79