SIMILAR PATTERNS OF AMINO ACIDS FOR 4FOX_E_D16E301_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
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 LYS A  61
GLU A  71
ASP A 184
GLY A 188
TYR A 224
 None
 0.75A 4foxE-1bsfA:
32.0		 4foxE-1bsfA:
35.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)

(Pneumocystis
carinii) 		PF00303
(Thymidylat_synt) 		7 GLU A  65
ILE A  86
TRP A  87
ASP A 202
LEU A 205
GLY A 206
TYR A 242
 CB3  A 768 ( 4.0A)
CB3  A 768 (-3.6A)
None
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 ( 4.7A)
 0.67A 4foxE-1ci7A:
36.5		 4foxE-1ci7A:
45.00
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 ILE A  86
TRP A  87
ASP A 202
GLY A 206
PHE A 209
TYR A 242
 CB3  A 768 (-3.6A)
None
CB3  A 768 ( 3.6A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 1.02A 4foxE-1ci7A:
36.5		 4foxE-1ci7A:
45.00
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) 		6 ILE A 108
TRP A 109
ASP A 218
GLY A 222
PHE A 225
TYR A 258
 D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
D16  A 414 ( 3.6A)
D16  A 414 (-3.3A)
D16  A 414 (-3.6A)
UMP  A 314 ( 4.4A)
 0.80A 4foxE-1hvyA:
38.6		 4foxE-1hvyA:
50.00
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
GLU A  87
ILE A 108
TRP A 109
ASP A 218
LEU A 221
GLY A 222
TYR A 258
 D16  A 414 ( 4.3A)
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)
UMP  A 314 ( 4.4A)
 0.28A 4foxE-1hvyA:
38.6		 4foxE-1hvyA:
50.00
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
ASP C 513
LEU C 516
GLY C 517
PHE C 520
TYR C 553
 None
UMP  C 611 (-4.9A)
None
UMP  C 611 (-3.5A)
None
UMP  C 611 (-4.9A)
 0.48A 4foxE-1j3jC:
35.8		 4foxE-1j3jC:
38.79
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
GLU C 382
ILE C 403
ASP C 513
GLY C 517
TYR C 553
 None
None
None
UMP  C 611 (-4.9A)
UMP  C 611 (-3.5A)
UMP  C 611 (-4.9A)
 0.92A 4foxE-1j3jC:
35.8		 4foxE-1j3jC:
38.79
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.
1s1f PUTATIVE CYTOCHROME
P450

(Streptomyces
coelicolor) 		PF00067
(p450) 		5 HIS A 183
SER A 182
ILE A  87
GLY A 292
TYR A 318
 None
None
MLA  A 432 ( 3.9A)
MLA  A 433 ( 3.6A)
HEM  A 430 (-4.5A)
 1.20A 4foxE-1s1fA:
0.0		 4foxE-1s1fA:
21.36
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.
1w5t ORC2

(Aeropyrum
pernix) 		PF09079
(Cdc6_C)
PF13401
(AAA_22) 		5 HIS A 211
SER A  57
ILE A  63
ASP A 145
TYR A  91
 None
None
ANP  A 700 (-4.5A)
MG  A 701 ( 4.1A)
None
 1.36A 4foxE-1w5tA:
0.0		 4foxE-1w5tA:
22.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wv2 THIAZOLE
BIOSYNTHESIS PROTEIN
THIG

(Pseudomonas
aeruginosa) 		PF05690
(ThiG) 		5 SER A1042
ILE A1219
ASP A1193
LEU A1214
TYR A1141
 None
 1.33A 4foxE-1wv2A:
0.0		 4foxE-1wv2A:
19.72
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) 		9 LYS A  69
GLU A  79
ILE A 100
TRP A 101
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 ( 4.1A)
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 (-3.8A)
CB3  A2351 ( 4.3A)
 0.41A 4foxE-2aazA:
undetectable		 4foxE-2aazA:
41.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gp6 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Mycobacterium
tuberculosis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 SER A 356
ILE A 412
GLY A 415
PHE A 414
TYR A  12
 None
 1.36A 4foxE-2gp6A:
undetectable		 4foxE-2gp6A:
22.86
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 GLU A 295
ILE A 316
ASP A 426
LEU A 429
GLY A 430
TYR A 466
 None
None
None
None
DU  A 611 (-3.5A)
DU  A 611 (-4.6A)
 0.79A 4foxE-2h2qA:
34.5		 4foxE-2h2qA:
27.59
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ILE A 316
ASP A 426
GLY A 430
PHE A 433
TYR A 466
 None
None
DU  A 611 (-3.5A)
None
DU  A 611 (-4.6A)
 0.93A 4foxE-2h2qA:
34.5		 4foxE-2h2qA:
27.59
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 LYS A 285
GLU A 295
ILE A 316
ASP A 426
TYR A 466
 None
None
None
None
DU  A 611 (-4.6A)
 1.15A 4foxE-2h2qA:
34.5		 4foxE-2h2qA:
27.59
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.
2l5p LIPOCALIN 12

(Rattus
norvegicus) 		PF00061
(Lipocalin) 		5 HIS A 168
ILE A 175
LEU A 159
GLY A  57
PHE A 190
 None
 1.35A 4foxE-2l5pA:
undetectable		 4foxE-2l5pA:
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.
2lnv GENERAL SECRETION
PATHWAY PROTEIN C

(Dickeya
dadantii) 		PF11356
(T2SSC) 		5 SER A 109
ILE A 138
LEU A  97
GLY A  99
TYR A 157
 None
 1.30A 4foxE-2lnvA:
undetectable		 4foxE-2lnvA:
15.59
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		9 LYS A 284
GLU A 294
ILE A 315
TRP A 316
ASP A 426
LEU A 429
GLY A 430
PHE A 433
TYR A 466
 CB3  A 604 ( 4.7A)
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)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
 0.45A 4foxE-2oipA:
38.0		 4foxE-2oipA:
28.42
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
ASP A 221
LEU A 224
GLY A 225
PHE A 228
TYR A 261
 THF  A 568 ( 4.7A)
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)
 0.68A 4foxE-2tddA:
35.6		 4foxE-2tddA:
51.43
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) 		7 LYS A  50
GLU A  60
ILE A  81
ASP A 221
GLY A 225
PHE A 228
TYR A 261
 THF  A 568 ( 4.7A)
None
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)
 0.76A 4foxE-2tddA:
35.6		 4foxE-2tddA:
51.43
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
GLU A  60
ILE A  81
TRP A  82
ASP A 221
PHE A 228
 THF  A 568 ( 4.7A)
None
THF  A 568 ( 4.8A)
THF  A 568 ( 4.6A)
UFP  A 529 (-4.7A)
THF  A 568 (-4.8A)
 0.78A 4foxE-2tddA:
35.6		 4foxE-2tddA:
51.43
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
GLU A  60
ILE A  81
TRP A  82
TRP A  85
PHE A 228
 THF  A 568 ( 4.7A)
None
THF  A 568 ( 4.8A)
THF  A 568 ( 4.6A)
THF  A 568 (-3.1A)
THF  A 568 (-4.8A)
 0.95A 4foxE-2tddA:
35.6		 4foxE-2tddA:
51.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xf8 D-ERYTHROSE-4-PHOSPH
ATE DEHYDROGENASE

(Escherichia
coli) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 SER A 119
ILE A  11
ASP A 312
GLY A 316
PHE A 317
 3CD  A 600 (-3.4A)
3CD  A 600 (-4.2A)
None
None
3CD  A 600 (-3.7A)
 1.28A 4foxE-2xf8A:
undetectable		 4foxE-2xf8A:
22.57
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.
2ybu ACIDIC MAMMALIAN
CHITINASE

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		5 GLU A 169
ILE A 124
LEU A 135
GLY A 134
PHE A 166
 None
 1.34A 4foxE-2ybuA:
undetectable		 4foxE-2ybuA:
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.
3axs PROBABLE
N(2),N(2)-DIMETHYLGU
ANOSINE TRNA
METHYLTRANSFERASE
TRM1

(Aquifex
aeolicus) 		PF02005
(TRM) 		5 HIS A 187
SER A 216
ILE A 191
TRP A 280
PHE A 221
 None
 1.40A 4foxE-3axsA:
undetectable		 4foxE-3axsA:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cf4 ACETYL-COA
DECARBOXYLASE/SYNTHA
SE ALPHA SUBUNIT

(Methanosarcina
barkeri) 		PF03063
(Prismane) 		5 SER A 202
ILE A 647
ASP A 618
GLY A 617
PHE A 648
 None
None
GOL  A 825 ( 4.8A)
None
None
 1.33A 4foxE-3cf4A:
undetectable		 4foxE-3cf4A:
15.00
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.
3doc GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE

(Brucella
abortus) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 SER A 122
ILE A  13
ASP A 315
GLY A 319
PHE A 320
 NAD  A 901 (-3.3A)
NAD  A 901 (-3.4A)
None
None
NAD  A 901 (-3.6A)
 1.30A 4foxE-3docA:
undetectable		 4foxE-3docA:
22.10
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.
3eat PYOVERDINE
BIOSYNTHESIS PROTEIN
PVCB

(Pseudomonas
aeruginosa) 		PF02668
(TauD) 		5 HIS X 239
SER X 142
LEU X  15
GLY X  26
PHE X  25
 None
 1.12A 4foxE-3eatX:
undetectable		 4foxE-3eatX:
22.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hkz DNA-DIRECTED RNA
POLYMERASE SUBUNIT
A'

(Sulfolobus
solfataricus) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 SER A 322
ILE A 343
TRP A 372
GLY A 338
PHE A 443
 None
 1.38A 4foxE-3hkzA:
undetectable		 4foxE-3hkzA:
15.04
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) 		6 HIS A  51
ASP A 169
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 None
 0.79A 4foxE-3ix6A:
35.9		 4foxE-3ix6A:
46.67
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 SER A  54
GLU A  58
ASP A 169
GLY A 173
TYR A 209
 None
 0.82A 4foxE-3ix6A:
35.9		 4foxE-3ix6A:
46.67
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 SER A  54
GLU A  58
ILE A  79
ASP A 169
TYR A 209
 None
 0.96A 4foxE-3ix6A:
35.9		 4foxE-3ix6A:
46.67
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 SER A  54
GLU A  58
ILE A  79
TRP A  80
TRP A  83
 None
 0.61A 4foxE-3ix6A:
35.9		 4foxE-3ix6A:
46.67
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 GLU A  67
ASP A 197
LEU A 200
GLY A 201
TYR A 237
 None
 0.91A 4foxE-3kgbA:
33.3		 4foxE-3kgbA:
46.94
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		10 LYS A 275
SER A 281
GLU A 285
ILE A 306
TRP A 307
ASP A 416
LEU A 419
GLY A 420
PHE A 423
TYR A 456
 None
None
GOL  A 516 (-3.2A)
GOL  A 516 (-3.9A)
GOL  A 516 (-3.7A)
None
None
None
None
None
 0.55A 4foxE-3kjrA:
37.8		 4foxE-3kjrA:
28.18
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.
3l0d GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE

(Bartonella
henselae) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 SER A 122
ILE A  13
ASP A 315
GLY A 319
PHE A 320
 NAD  A 336 (-3.4A)
NAD  A 336 (-3.8A)
None
None
NAD  A 336 (-3.6A)
 1.29A 4foxE-3l0dA:
undetectable		 4foxE-3l0dA:
22.38
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.
3mil ISOAMYL
ACETATE-HYDROLYZING
ESTERASE

(Saccharomyces
cerevisiae) 		PF13472
(Lipase_GDSL_2) 		5 ILE A  62
ASP A  11
LEU A  80
GLY A  10
PHE A   9
 None
 1.42A 4foxE-3milA:
undetectable		 4foxE-3milA:
24.29
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.
3ram HMRA PROTEIN

(Staphylococcus
aureus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 HIS A 330
GLU A 303
ILE A 331
ASP A 355
GLY A 354
 GOL  A 513 (-4.1A)
None
None
None
None
 1.36A 4foxE-3ramA:
undetectable		 4foxE-3ramA:
23.80
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.
3sdi PROTEASOME COMPONENT
PRE5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		5 HIS E  45
GLU E 188
ILE E 180
LEU E  40
GLY E 193
 None
 1.24A 4foxE-3sdiE:
undetectable		 4foxE-3sdiE:
24.82
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 LYS A 372
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 None
UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
None
UMP  A 611 (-4.5A)
 0.52A 4foxE-3um6A:
36.0		 4foxE-3um6A:
22.30
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 LYS A 372
GLU A 382
ILE A 403
ASP A 513
GLY A 517
TYR A 553
 None
None
None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.86A 4foxE-3um6A:
36.0		 4foxE-3um6A:
22.30
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
SER A  54
ASP A 217
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
None
CIT  A 400 (-4.5A)
 0.97A 4foxE-3v8hA:
34.6		 4foxE-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3v8h THYMIDYLATE SYNTHASE

(Burkholderia
thailandensis) 		PF00303
(Thymidylat_synt) 		7 LYS A  48
SER A  54
GLU A  58
ASP A 217
LEU A 220
GLY A 221
TYR A 257
 None
None
None
None
None
None
CIT  A 400 (-4.5A)
 0.84A 4foxE-3v8hA:
34.6		 4foxE-3v8hA:
36.53
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 LYS A  48
SER A  54
GLU A  58
TRP A  80
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 0.80A 4foxE-3v8hA:
34.6		 4foxE-3v8hA:
36.53
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 LYS A  48
SER A  54
TRP A  80
PHE A 224
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 1.10A 4foxE-3v8hA:
34.6		 4foxE-3v8hA:
36.53
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 SER A  54
GLU A 228
ASP A 217
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
None
CIT  A 400 (-4.5A)
 1.39A 4foxE-3v8hA:
34.6		 4foxE-3v8hA:
36.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zpy ALGINATE LYASE,
FAMILY PL7

(Zobellia
galactanivorans) 		PF08787
(Alginate_lyase2) 		5 HIS A 323
ILE A 322
ASP A 291
LEU A 410
GLY A 290
 None
 1.37A 4foxE-3zpyA:
undetectable		 4foxE-3zpyA:
21.25
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.
4bej DYNAMIN 1-LIKE
PROTEIN

(Homo sapiens) 		PF00350
(Dynamin_N)
PF01031
(Dynamin_M)
PF02212
(GED) 		5 HIS A 461
SER A 447
ILE A 443
LEU A 660
PHE A 340
 None
 1.41A 4foxE-4bejA:
undetectable		 4foxE-4bejA:
17.87
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 LYS A  53
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)
 0.50A 4foxE-4dq1A:
36.3		 4foxE-4dq1A:
49.37
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 LYS A  53
GLU A  63
ASP A 224
GLY A 228
TYR A 264
 None
None
None
UMP  A 501 ( 4.0A)
UMP  A 501 (-4.2A)
 0.51A 4foxE-4dq1A:
36.3		 4foxE-4dq1A:
49.37
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 LYS A  53
GLU A  63
ILE A  84
ASP A 224
TYR A 264
 None
None
None
None
UMP  A 501 (-4.2A)
 0.87A 4foxE-4dq1A:
36.3		 4foxE-4dq1A:
49.37
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) 		10 LYS A  48
HIS A  51
SER A  54
GLU A  58
ILE A  79
TRP A  80
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 C2F  A 302 ( 3.9A)
C2F  A 302 (-3.9A)
C2F  A 302 (-3.4A)
None
C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
C2F  A 302 ( 4.6A)
 0.35A 4foxE-4fogA:
43.9		 4foxE-4fogA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h0u THYMIDYLATE SYNTHASE

(Corynebacterium
glutamicum) 		PF00303
(Thymidylat_synt) 		6 HIS A  54
SER A  57
GLU A  61
ILE A  82
TRP A  83
TRP A  86
 None
 0.72A 4foxE-4h0uA:
40.5		 4foxE-4h0uA:
72.56
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) 		8 LYS A  51
HIS A  54
SER A  57
ASP A 172
LEU A 175
GLY A 176
PHE A 179
TYR A 212
 None
None
None
None
None
UMP  A 301 (-3.6A)
None
UMP  A 301 (-4.5A)
 0.78A 4foxE-4h0uA:
40.5		 4foxE-4h0uA:
72.56
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) 		8 LYS A  51
HIS A  54
SER A  57
GLU A  61
ASP A 172
GLY A 176
PHE A 179
TYR A 212
 None
None
None
None
None
UMP  A 301 (-3.6A)
None
UMP  A 301 (-4.5A)
 0.78A 4foxE-4h0uA:
40.5		 4foxE-4h0uA:
72.56
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) 		8 LYS A  51
HIS A  54
SER A  57
GLU A  61
ILE A  82
ASP A 172
GLY A 176
TYR A 212
 None
None
None
None
None
None
UMP  A 301 (-3.6A)
UMP  A 301 (-4.5A)
 0.74A 4foxE-4h0uA:
40.5		 4foxE-4h0uA:
72.56
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) 		8 LYS A  51
HIS A  54
SER A  57
GLU A  61
ILE A  82
TRP A  86
ASP A 172
GLY A 176
 None
None
None
None
None
None
None
UMP  A 301 (-3.6A)
 0.92A 4foxE-4h0uA:
40.5		 4foxE-4h0uA:
72.56
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) 		8 LYS A  51
HIS A  54
SER A  57
GLU A  61
TRP A  86
ASP A 172
GLY A 176
PHE A 179
 None
None
None
None
None
None
UMP  A 301 (-3.6A)
None
 1.00A 4foxE-4h0uA:
40.5		 4foxE-4h0uA:
72.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4iqq THYMIDYLATE SYNTHASE

(Caenorhabditis
elegans) 		PF00303
(Thymidylat_synt) 		5 GLU A  89
ILE A 110
LEU A 223
GLY A 224
TYR A 260
 None
D16  A 402 (-4.0A)
D16  A 402 (-3.7A)
D16  A 402 ( 3.1A)
D16  A 402 ( 4.2A)
 0.61A 4foxE-4iqqA:
36.5		 4foxE-4iqqA:
43.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4iqq THYMIDYLATE SYNTHASE

(Caenorhabditis
elegans) 		PF00303
(Thymidylat_synt) 		5 ILE A 110
ASP A 220
LEU A 223
GLY A 224
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 ( 4.2A)
 0.62A 4foxE-4iqqA:
36.5		 4foxE-4iqqA:
43.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4iqq THYMIDYLATE SYNTHASE

(Caenorhabditis
elegans) 		PF00303
(Thymidylat_synt) 		5 ILE A 110
LEU A 223
GLY A 224
PHE A 227
TYR A 260
 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)
 0.99A 4foxE-4iqqA:
36.5		 4foxE-4iqqA:
43.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4iqq THYMIDYLATE SYNTHASE

(Caenorhabditis
elegans) 		PF00303
(Thymidylat_synt) 		5 LYS A  79
GLU A  89
ILE A 110
GLY A 224
TYR A 260
 D16  A 402 ( 4.5A)
None
D16  A 402 (-4.0A)
D16  A 402 ( 3.1A)
D16  A 402 ( 4.2A)
 1.00A 4foxE-4iqqA:
36.5		 4foxE-4iqqA:
43.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4krf PROTEIN ARGONAUTE-1

(Homo sapiens) 		PF02170
(PAZ)
PF02171
(Piwi)
PF08699
(ArgoL1)
PF16486
(ArgoN)
PF16487
(ArgoMid)
PF16488
(ArgoL2) 		5 ILE A 516
ASP A 535
GLY A 534
PHE A 503
TYR A 855
 None
 1.32A 4foxE-4krfA:
undetectable		 4foxE-4krfA:
15.80
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.
4l1f ACYL-COA
DEHYDROGENASE DOMAIN
PROTEIN

(Acidaminococcus
fermentans) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 GLU A 230
ILE A 234
GLY A 102
PHE A 101
TYR A 110
 None
 1.24A 4foxE-4l1fA:
undetectable		 4foxE-4l1fA:
20.25
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.
4lnf GLUTAMINE SYNTHETASE

(Bacillus
subtilis) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		5 GLU A 419
ASP A  27
LEU A  29
GLY A  59
PHE A  60
 None
 1.27A 4foxE-4lnfA:
undetectable		 4foxE-4lnfA:
21.41
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.
4m0d N-ACETYLMURAMIC ACID
6-PHOSPHATE ETHERASE

(Haemophilus
influenzae) 		PF01380
(SIS) 		5 SER A 218
ILE A  61
ASP A 139
GLY A  69
PHE A  65
 None
 1.21A 4foxE-4m0dA:
undetectable		 4foxE-4m0dA:
21.66
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.
4qae NEUTROPHIL
GELATINASE-ASSOCIATE
D LIPOCALIN

(Homo sapiens) 		PF00061
(Lipocalin) 		5 ILE A 166
LEU A 137
GLY A  35
PHE A 168
TYR A 138
 None
 1.33A 4foxE-4qaeA:
undetectable		 4foxE-4qaeA:
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.
4qb9 ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN

(Mycolicibacterium
smegmatis) 		PF13527
(Acetyltransf_9)
PF13530
(SCP2_2) 		5 HIS A 364
ILE A 294
LEU A 398
GLY A 184
TYR A 400
 None
 1.23A 4foxE-4qb9A:
undetectable		 4foxE-4qb9A:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qtu PUTATIVE
METHYLTRANSFERASE
BUD23

(Saccharomyces
cerevisiae) 		PF08241
(Methyltransf_11) 		5 ILE B 120
TRP B 122
ASP B  99
GLY B 101
PHE B 140
 None
SAM  B 301 ( 4.1A)
SAM  B 301 (-3.7A)
None
None
 1.21A 4foxE-4qtuB:
undetectable		 4foxE-4qtuB:
23.19
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.
4tq5 PRENYLTRANSFERASE

(Archaeoglobus
fulgidus) 		PF01040
(UbiA) 		5 SER A 250
ILE A 246
LEU A 168
GLY A  40
PHE A  39
 None
 1.35A 4foxE-4tq5A:
undetectable		 4foxE-4tq5A:
22.19
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 GLU A  75
ILE A  96
ASP A 206
LEU A 209
GLY A 210
TYR A 246
 1PE  A1002 ( 4.4A)
1PE  A1002 (-4.6A)
None
None
BVP  A1001 (-3.4A)
BVP  A1001 (-4.5A)
 0.64A 4foxE-4xscA:
36.5		 4foxE-4xscA:
41.90
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 GLU A  75
ILE A  96
TRP A  97
GLY A 210
TYR A 246
 1PE  A1002 ( 4.4A)
1PE  A1002 (-4.6A)
1PE  A1002 (-4.7A)
BVP  A1001 (-3.4A)
BVP  A1001 (-4.5A)
 0.73A 4foxE-4xscA:
36.5		 4foxE-4xscA:
41.90
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 ILE A  96
ASP A 206
GLY A 210
PHE A 213
TYR A 246
 1PE  A1002 (-4.6A)
None
BVP  A1001 (-3.4A)
1PE  A1002 (-3.8A)
BVP  A1001 (-4.5A)
 1.08A 4foxE-4xscA:
36.5		 4foxE-4xscA:
41.90
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 ILE A  96
TRP A  97
GLY A 210
PHE A 213
TYR A 246
 1PE  A1002 (-4.6A)
1PE  A1002 (-4.7A)
BVP  A1001 (-3.4A)
1PE  A1002 (-3.8A)
BVP  A1001 (-4.5A)
 1.22A 4foxE-4xscA:
36.5		 4foxE-4xscA:
41.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a22 VESICULAR STOMATITIS
VIRUS L POLYMERASE

(Vesicular
stomatitis
virus) 		PF00946
(Mononeg_RNA_pol)
PF14314
(Methyltrans_Mon)
PF14318
(Mononeg_mRNAcap) 		5 HIS A1227
SER A1224
ILE A1306
ASP A1087
GLY A1100
 None
 1.09A 4foxE-5a22A:
undetectable		 4foxE-5a22A:
8.54
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 LYS A  71
GLU A  81
ILE A 102
ASP A 212
GLY A 216
TYR A 252
 None
DTT  A 402 (-3.0A)
DTT  A 402 ( 4.3A)
None
UMP  A 401 (-3.5A)
UMP  A 401 (-4.6A)
 1.14A 4foxE-5by6A:
36.2		 4foxE-5by6A:
45.60
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.
5bym SUPPRESSOR PROTEIN
MPT5

(Saccharomyces
cerevisiae) 		PF00806
(PUF) 		5 SER A 206
ILE A 205
ASP A 221
GLY A 224
PHE A 227
 None
 1.38A 4foxE-5bymA:
undetectable		 4foxE-5bymA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dwd ESTERASE

(Pelagibacterium
halotolerans) 		PF02230
(Abhydrolase_2) 		5 ILE A 139
ASP A 209
LEU A 208
GLY A 207
PHE A 141
 None
 1.39A 4foxE-5dwdA:
undetectable		 4foxE-5dwdA:
22.50
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 GLU A 111
ILE A 132
ASP A 242
GLY A 246
TYR A 282
 D16  A 401 ( 4.7A)
D16  A 401 ( 4.0A)
D16  A 401 ( 4.0A)
D16  A 401 ( 3.2A)
UMP  A 402 (-4.5A)
 0.64A 4foxE-5h3aA:
36.2		 4foxE-5h3aA:
49.82
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 GLU A 111
ILE A 132
TRP A 133
GLY A 246
TYR A 282
 D16  A 401 ( 4.7A)
D16  A 401 ( 4.0A)
None
D16  A 401 ( 3.2A)
UMP  A 402 (-4.5A)
 0.69A 4foxE-5h3aA:
36.2		 4foxE-5h3aA:
49.82
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 ILE A 132
TRP A 133
GLY A 246
PHE A 249
TYR A 282
 D16  A 401 ( 4.0A)
None
D16  A 401 ( 3.2A)
D16  A 401 (-3.4A)
UMP  A 402 (-4.5A)
 1.20A 4foxE-5h3aA:
36.2		 4foxE-5h3aA:
49.82
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 LYS A  49
GLU A  59
ASP A 220
LEU A 223
GLY A 224
TYR A 260
 None
 0.61A 4foxE-5j7wA:
36.1		 4foxE-5j7wA:
52.38
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.
5khp NEUTROPHIL
GELATINASE-ASSOCIATE
D LIPOCALIN

(Homo sapiens) 		PF00061
(Lipocalin) 		5 ILE A 166
LEU A 137
GLY A  35
PHE A 168
TYR A 138
 None
 1.35A 4foxE-5khpA:
undetectable		 4foxE-5khpA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lj8 MACROLIDE EXPORT
ATP-BINDING/PERMEASE
PROTEIN MACB

(Escherichia
coli) 		no annotation 5 HIS A 514
ASP A 322
GLY A 321
PHE A 444
TYR A 327
 None
 1.40A 4foxE-5lj8A:
undetectable		 4foxE-5lj8A:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ILE A 402
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 CB3  A 703 (-3.4A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.87A 4foxE-5t0lA:
37.5		 4foxE-5t0lA:
25.44
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 LYS A 371
GLU A 381
ILE A 402
TRP A 403
ASP A 513
LEU A 516
GLY A 517
TYR A 553
 CB3  A 703 (-3.2A)
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)
UMP  A 701 (-4.4A)
 0.44A 4foxE-5t0lA:
37.5		 4foxE-5t0lA:
25.44
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.
5vm9 PROTEIN ARGONAUTE-3

(Homo sapiens) 		no annotation 5 ILE A 519
ASP A 538
GLY A 537
PHE A 506
TYR A 858
 None
 1.32A 4foxE-5vm9A:
undetectable		 4foxE-5vm9A:
14.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wve APOPTOTIC
PROTEASE-ACTIVATING
FACTOR 1

(Homo sapiens) 		PF00400
(WD40)
PF00931
(NB-ARC) 		5 HIS A 614
SER A 632
ILE A 906
TRP A 909
GLY A 887
 None
 1.41A 4foxE-5wveA:
undetectable		 4foxE-5wveA:
11.82
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.
5wvg CHITINASE

(Ostrinia
furnacalis) 		no annotation 5 GLU A 672
ILE A 631
LEU A 642
GLY A 641
PHE A 669
 None
 1.31A 4foxE-5wvgA:
undetectable		 4foxE-5wvgA:
14.84
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 HIS A  59
ASP A 177
LEU A 180
GLY A 181
TYR A 217
 None
None
None
PGE  A 301 ( 4.0A)
None
 0.94A 4foxE-6aujA:
35.6		 4foxE-6aujA:
61.40
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 HIS A  59
SER A  62
ASP A 177
GLY A 181
TYR A 217
 None
None
None
PGE  A 301 ( 4.0A)
None
 0.60A 4foxE-6aujA:
35.6		 4foxE-6aujA:
61.40
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 HIS A  59
SER A  62
GLU A  66
ILE A  87
TRP A  88
 None
None
PGE  A 301 (-4.1A)
PGE  A 301 ( 4.2A)
PGE  A 301 (-3.5A)
 0.46A 4foxE-6aujA:
35.6		 4foxE-6aujA:
61.40
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 HIS A  59
SER A  62
ILE A  87
GLY A 181
PHE A 184
TYR A 217
 None
None
PGE  A 301 ( 4.2A)
PGE  A 301 ( 4.0A)
PGE  A 301 (-3.7A)
None
 1.25A 4foxE-6aujA:
35.6		 4foxE-6aujA:
61.40
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 HIS A  59
SER A  62
ILE A  87
TRP A  88
PHE A 184
 None
None
PGE  A 301 ( 4.2A)
PGE  A 301 (-3.5A)
PGE  A 301 (-3.7A)
 1.02A 4foxE-6aujA:
35.6		 4foxE-6aujA:
61.40
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 SER A  62
GLU A  66
ILE A  87
TRP A  88
TRP A  91
 None
PGE  A 301 (-4.1A)
PGE  A 301 ( 4.2A)
PGE  A 301 (-3.5A)
PGE  A 301 ( 4.5A)
 0.66A 4foxE-6aujA:
35.6		 4foxE-6aujA:
61.40
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
SER A  54
GLU A  58
ILE A  79
TRP A  80
TRP A  83
LEU A 172
 CB3  A 701 ( 4.8A)
None
CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
None
None
CB3  A 701 (-3.5A)
 0.69A 4foxE-6cdzA:
40.3		 4foxE-6cdzA:
60.00
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 9 LYS A  48
SER A  54
GLU A  58
ILE A  79
TRP A  83
ASP A 169
LEU A 172
GLY A 173
TYR A 209
 CB3  A 701 ( 4.8A)
None
CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 4.2A)
 0.67A 4foxE-6cdzA:
40.3		 4foxE-6cdzA:
60.00
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 SER A  54
ILE A  79
TRP A  80
TRP A  83
LEU A 172
PHE A 176
 None
CB3  A 701 (-3.9A)
None
None
CB3  A 701 (-3.5A)
CB3  A 701 (-3.8A)
 1.03A 4foxE-6cdzA:
40.3		 4foxE-6cdzA:
60.00
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 8 SER A  54
ILE A  79
TRP A  83
ASP A 169
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 None
CB3  A 701 (-3.9A)
None
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)
 1.00A 4foxE-6cdzA:
40.3		 4foxE-6cdzA:
60.00
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.
6fay ODZ3 PROTEIN

(Mus musculus) 		no annotation 5 HIS A2355
ILE A2366
GLY A2369
PHE A2368
TYR A2266
 None
 1.17A 4foxE-6fayA:
undetectable		 4foxE-6fayA:
18.72