SIMILAR PATTERNS OF AMINO ACIDS FOR 4FOX_F_D16F301_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.
1b5d PROTEIN
(DEOXYCYTIDYLATE
HYDROXYMETHYLASE)

(Escherichia
virus T4) 		PF00303
(Thymidylat_synt) 		5 GLU A  60
TRP A  82
ASP A 171
GLY A 175
TYR A 218
 None
None
None
DCM  A 300 (-3.5A)
DCM  A 300 (-4.6A)
 0.99A 4foxF-1b5dA:
18.9		 4foxF-1b5dA:
24.73
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
LEU A 170
ASP A 202
GLY A 206
TYR A 242
 CB3  A 768 ( 4.0A)
CB3  A 768 (-3.6A)
None
UMP  A 767 (-4.7A)
CB3  A 768 ( 3.6A)
UMP  A 767 (-3.7A)
CB3  A 768 ( 4.7A)
 0.78A 4foxF-1ci7A:
36.6		 4foxF-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)
 1.01A 4foxF-1ci7A:
36.6		 4foxF-1ci7A:
45.00
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.
1eo6 GOLGI-ASSOCIATED
ATPASE ENHANCER OF
16 KD

(Bos taurus) 		PF02991
(Atg8) 		5 HIS A   9
ILE A  32
LEU A  94
GLY A 103
PHE A 104
 None
 1.48A 4foxF-1eo6A:
0.0		 4foxF-1eo6A:
18.11
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) 		7 GLU A  87
ILE A 108
TRP A 109
LEU A 192
ASP A 218
GLY A 222
TYR A 258
 D16  A 414 (-3.8A)
D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
None
D16  A 414 ( 3.6A)
D16  A 414 (-3.3A)
UMP  A 314 ( 4.4A)
 0.33A 4foxF-1hvyA:
38.5		 4foxF-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) 		7 ILE A 108
TRP A 109
LEU A 192
ASP A 218
GLY A 222
PHE A 225
TYR A 258
 D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
None
D16  A 414 ( 3.6A)
D16  A 414 (-3.3A)
D16  A 414 (-3.6A)
UMP  A 314 ( 4.4A)
 0.75A 4foxF-1hvyA:
38.5		 4foxF-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) 		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)
 0.88A 4foxF-1j3jC:
35.7		 4foxF-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.
1v1p EXOTOXIN 1

(Staphylococcus
aureus) 		PF02876
(Stap_Strp_tox_C)
PF09199
(SSL_OB) 		5 GLU A 180
ILE A 170
LEU A 187
GLY A 167
TYR A 160
 None
 1.41A 4foxF-1v1pA:
0.0		 4foxF-1v1pA:
20.45
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.
1z8w PYRROLIDONE-CARBOXYL
ATE PEPTIDASE

(Pyrococcus
furiosus) 		PF01470
(Peptidase_C15) 		5 GLU A  58
ILE A  59
LEU A  52
GLY A  38
PHE A  37
 None
 1.37A 4foxF-1z8wA:
0.0		 4foxF-1z8wA:
23.33
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 GLU A  79
ILE A 100
TRP A 101
LEU A 184
ASP A 219
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 (-3.2A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
None
CB3  A2351 ( 3.6A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 0.29A 4foxF-2aazA:
undetectable		 4foxF-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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 GLU A 295
ILE A 316
ASP A 426
GLY A 430
TYR A 466
 None
None
None
DU  A 611 (-3.5A)
DU  A 611 (-4.6A)
 0.63A 4foxF-2h2qA:
34.4		 4foxF-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)
 0.86A 4foxF-2h2qA:
34.4		 4foxF-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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 GLU A 294
ILE A 315
TRP A 316
LEU A 399
ASP A 426
GLY A 430
PHE A 433
TYR A 466
 CB3  A 604 ( 3.8A)
CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
None
CB3  A 604 ( 3.9A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
 0.53A 4foxF-2oipA:
37.9		 4foxF-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) 		7 GLU A  60
ILE A  81
LEU A 195
ASP A 221
GLY A 225
PHE A 228
TYR A 261
 None
THF  A 568 ( 4.8A)
THF  A 568 (-4.6A)
UFP  A 529 (-4.7A)
UFP  A 529 ( 4.0A)
THF  A 568 (-4.8A)
UFP  A 529 (-4.7A)
 0.88A 4foxF-2tddA:
35.5		 4foxF-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 GLU A  60
ILE A  81
TRP A  82
LEU A 195
ASP A 221
PHE A 228
 None
THF  A 568 ( 4.8A)
THF  A 568 ( 4.6A)
THF  A 568 (-4.6A)
UFP  A 529 (-4.7A)
THF  A 568 (-4.8A)
 0.87A 4foxF-2tddA:
35.5		 4foxF-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 GLU A  60
ILE A  81
TRP A  82
TRP A  85
LEU A 195
PHE A 228
 None
THF  A 568 ( 4.8A)
THF  A 568 ( 4.6A)
THF  A 568 (-3.1A)
THF  A 568 (-4.6A)
THF  A 568 (-4.8A)
 1.02A 4foxF-2tddA:
35.5		 4foxF-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.
2yh2 ESTERASE

(Pyrobaculum
calidifontis) 		PF07859
(Abhydrolase_3) 		5 GLU A  34
LEU A  40
ASP A 156
GLY A  84
TYR A 185
 None
 1.45A 4foxF-2yh2A:
undetectable		 4foxF-2yh2A:
22.49
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.
2yr0 HYPOTHETICAL PROTEIN
TTHA0223

(Thermus
thermophilus) 		PF08241
(Methyltransf_11) 		5 HIS A  18
ILE A  53
LEU A  44
ASP A  68
GLY A  49
 None
 1.40A 4foxF-2yr0A:
undetectable		 4foxF-2yr0A:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z2m PENICILLIN-BINDING
PROTEIN 2X

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 ILE A  87
LEU A 200
ASP B 313
GLY A 191
PHE A 193
 None
 1.26A 4foxF-2z2mA:
undetectable		 4foxF-2z2mA:
21.09
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.
2zu8 MANNOSYL-3-PHOSPHOGL
YCERATE SYNTHASE

(Pyrococcus
horikoshii) 		PF09488
(Osmo_MPGsynth) 		5 ILE A 381
TRP A 378
LEU A 155
ASP A 119
GLY A 121
 None
 1.33A 4foxF-2zu8A:
undetectable		 4foxF-2zu8A:
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.
3gde DNA LIGASE

(Archaeoglobus
fulgidus) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		5 ILE A 266
LEU A 271
ASP A 296
GLY A 297
TYR A 406
 None
 1.41A 4foxF-3gdeA:
undetectable		 4foxF-3gdeA:
17.32
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.
3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT ALPHA
CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA

(Moorella
thermoacetica) 		PF03063
(Prismane)
PF03598
(CdhC) 		5 HIS A   9
GLU M 188
LEU M 169
ASP M 279
GLY M 256
 None
 1.37A 4foxF-3i04A:
undetectable		 4foxF-3i04A:
16.82
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 HIS A  51
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 None
 0.79A 4foxF-3ix6A:
35.7		 4foxF-3ix6A:
46.67
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.
3ixw HEMOCYANIN AA6 CHAIN

(Androctonus
australis) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		5 ILE A 305
LEU A 292
ASP A 299
GLY A 194
PHE A 197
 None
 1.31A 4foxF-3ixwA:
undetectable		 4foxF-3ixwA:
18.00
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.
3k4y ISOPENTENYL
PHOSPHATE KINASE

(Methanocaldococcus
jannaschii) 		PF00696
(AA_kinase) 		5 ILE A 142
LEU A 123
ASP A 160
GLY A 159
TYR A 220
 None
None
SO4  A 262 ( 4.4A)
IPE  A 300 (-3.4A)
None
 1.31A 4foxF-3k4yA:
undetectable		 4foxF-3k4yA:
20.67
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 GLU A 285
ILE A 306
TRP A 307
LEU A 390
ASP A 416
GLY A 420
PHE A 423
TYR A 456
 GOL  A 516 (-3.2A)
GOL  A 516 (-3.9A)
GOL  A 516 (-3.7A)
None
None
None
None
None
 0.63A 4foxF-3kjrA:
38.1		 4foxF-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.
3nzu PHOSPHATIDYLINOSITOL
-4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT GAMMA
ISOFORM

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd) 		5 HIS A 962
ILE A 963
ASP A 836
GLY A 966
PHE A 965
 None
NZU  A   1 (-3.7A)
None
None
None
 1.47A 4foxF-3nzuA:
undetectable		 4foxF-3nzuA:
14.36
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.
3op7 AMINOTRANSFERASE
CLASS I AND II

(Streptococcus
suis) 		PF00155
(Aminotran_1_2) 		5 ILE A  83
TRP A 232
LEU A 219
ASP A 259
GLY A  63
 None
 1.22A 4foxF-3op7A:
undetectable		 4foxF-3op7A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.33A 4foxF-3ramA:
undetectable		 4foxF-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.
3scy HYPOTHETICAL
BACTERIAL
6-PHOSPHOGLUCONOLACT
ONASE

(Bacteroides
fragilis) 		PF10282
(Lactonase) 		5 GLU A 253
ILE A 254
LEU A 250
ASP A 196
GLY A 198
 UNL  A 385 ( 4.9A)
None
None
None
None
 1.49A 4foxF-3scyA:
undetectable		 4foxF-3scyA:
23.40
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.
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)
 0.87A 4foxF-3um6A:
35.9		 4foxF-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) 		5 GLU A 382
ILE A 403
LEU A 487
ASP A 513
GLY A 517
 None
None
None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
 1.18A 4foxF-3um6A:
35.9		 4foxF-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.
3uv1 DER F 7 ALLERGEN

(Dermatophagoides
farinae) 		PF16984
(Grp7_allergen) 		5 HIS A 151
ILE A 152
LEU A 105
GLY A 163
PHE A 162
 None
 1.31A 4foxF-3uv1A:
undetectable		 4foxF-3uv1A:
22.18
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 GLU A 228
ASP A 217
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 1.28A 4foxF-3v8hA:
34.6		 4foxF-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.
3wq1 ENDOGLUCANASE A

(Pyrococcus
furiosus) 		PF01670
(Glyco_hydro_12) 		5 ILE A 259
LEU A 310
ASP A 156
GLY A 262
PHE A 264
 None
 1.40A 4foxF-3wq1A:
undetectable		 4foxF-3wq1A:
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.
4a3t DNA MISMATCH REPAIR
PROTEIN HSM3

(Saccharomyces
cerevisiae) 		no annotation 5 ILE A 120
LEU A 173
ASP A 166
GLY A 127
PHE A 129
 None
 1.47A 4foxF-4a3tA:
undetectable		 4foxF-4a3tA:
18.39
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.
4b3i FATTY ACID
BETA-OXIDATION
COMPLEX BETA-CHAIN
FADA

(Mycobacterium
tuberculosis) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 HIS C 359
ILE C 368
LEU C 323
GLY C 352
TYR C 186
 None
 1.36A 4foxF-4b3iC:
undetectable		 4foxF-4b3iC:
19.06
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
ILE A  84
LEU A 198
ASP A 224
TYR A 264
 None
None
None
None
UMP  A 501 (-4.2A)
 0.98A 4foxF-4dq1A:
36.0		 4foxF-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 GLU A  63
ILE A  84
TRP A  85
TRP A  88
LEU A 198
 None
 1.24A 4foxF-4dq1A:
36.0		 4foxF-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 GLU A  63
LEU A 198
ASP A 224
GLY A 228
TYR A 264
 None
None
None
UMP  A 501 ( 4.0A)
UMP  A 501 (-4.2A)
 0.74A 4foxF-4dq1A:
36.0		 4foxF-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 ILE A  84
LEU A 198
ASP A 224
PHE A 231
TYR A 264
 None
None
None
None
UMP  A 501 (-4.2A)
 1.16A 4foxF-4dq1A:
36.0		 4foxF-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 LEU A 198
ASP A 224
GLY A 228
PHE A 231
TYR A 264
 None
None
UMP  A 501 ( 4.0A)
None
UMP  A 501 (-4.2A)
 1.18A 4foxF-4dq1A:
36.0		 4foxF-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) 		9 HIS A  51
GLU A  58
ILE A  79
TRP A  80
LEU A 143
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 C2F  A 302 (-3.9A)
None
C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 (-4.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
C2F  A 302 ( 4.6A)
 0.47A 4foxF-4fogA:
43.1		 4foxF-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
GLU A  61
ASP A 172
GLY A 176
PHE A 179
TYR A 212
 None
None
None
UMP  A 301 (-3.6A)
None
UMP  A 301 (-4.5A)
 0.83A 4foxF-4h0uA:
40.2		 4foxF-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) 		6 HIS A  54
GLU A  61
ILE A  82
ASP A 172
GLY A 176
TYR A 212
 None
None
None
None
UMP  A 301 (-3.6A)
UMP  A 301 (-4.5A)
 0.79A 4foxF-4h0uA:
40.2		 4foxF-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) 		6 HIS A  54
GLU A  61
ILE A  82
TRP A  83
TRP A  86
LEU A 146
 None
 0.71A 4foxF-4h0uA:
40.2		 4foxF-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) 		6 HIS A  54
GLU A  61
ILE A  82
TRP A  86
LEU A 146
GLY A 176
 None
None
None
None
None
UMP  A 301 (-3.6A)
 0.95A 4foxF-4h0uA:
40.2		 4foxF-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) 		6 HIS A  54
GLU A  61
TRP A  86
LEU A 146
GLY A 176
PHE A 179
 None
None
None
None
UMP  A 301 (-3.6A)
None
 1.11A 4foxF-4h0uA:
40.2		 4foxF-4h0uA:
72.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4htt SEC-INDEPENDENT
PROTEIN TRANSLOCASE
PROTEIN TATC,
LYSOZYME

(Aquifex
aeolicus;
Escherichia
virus T4) 		PF00902
(TatC) 		5 GLU A 165
ILE A 162
LEU A 216
GLY A 114
PHE A 111
 None
 1.37A 4foxF-4httA:
undetectable		 4foxF-4httA:
22.14
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
ASP A 220
GLY A 224
TYR A 260
 None
D16  A 402 (-4.0A)
D16  A 402 ( 4.0A)
D16  A 402 ( 3.1A)
D16  A 402 ( 4.2A)
 0.71A 4foxF-4iqqA:
36.1		 4foxF-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
 1.29A 4foxF-4krfA:
undetectable		 4foxF-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.
4lnf GLUTAMINE SYNTHETASE

(Bacillus
subtilis) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		5 GLU A 419
LEU A 413
ASP A  27
GLY A  59
PHE A  60
 None
 1.04A 4foxF-4lnfA:
undetectable		 4foxF-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.
4mj3 HALOALKANE
DEHALOGENASE

(Mycolicibacterium
rhodesiae) 		PF00561
(Abhydrolase_1) 		5 HIS A 280
GLU A 284
LEU A  14
ASP A 197
GLY A 177
 None
 1.18A 4foxF-4mj3A:
undetectable		 4foxF-4mj3A:
22.96
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.
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
 1.18A 4foxF-4qtuB:
undetectable		 4foxF-4qtuB:
23.19
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
LEU A 180
ASP A 206
GLY A 210
TYR A 246
 1PE  A1002 ( 4.4A)
1PE  A1002 (-4.6A)
BVP  A1001 ( 4.5A)
None
BVP  A1001 (-3.4A)
BVP  A1001 (-4.5A)
 0.85A 4foxF-4xscA:
36.4		 4foxF-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) 		6 GLU A  75
ILE A  96
TRP A  97
LEU A 180
GLY A 210
TYR A 246
 1PE  A1002 ( 4.4A)
1PE  A1002 (-4.6A)
1PE  A1002 (-4.7A)
BVP  A1001 ( 4.5A)
BVP  A1001 (-3.4A)
BVP  A1001 (-4.5A)
 0.89A 4foxF-4xscA:
36.4		 4foxF-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) 		6 ILE A  96
LEU A 180
ASP A 206
GLY A 210
PHE A 213
TYR A 246
 1PE  A1002 (-4.6A)
BVP  A1001 ( 4.5A)
None
BVP  A1001 (-3.4A)
1PE  A1002 (-3.8A)
BVP  A1001 (-4.5A)
 1.21A 4foxF-4xscA:
36.4		 4foxF-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) 		6 ILE A  96
TRP A  97
LEU A 180
GLY A 210
PHE A 213
TYR A 246
 1PE  A1002 (-4.6A)
1PE  A1002 (-4.7A)
BVP  A1001 ( 4.5A)
BVP  A1001 (-3.4A)
1PE  A1002 (-3.8A)
BVP  A1001 (-4.5A)
 1.22A 4foxF-4xscA:
36.4		 4foxF-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.
4z7r COENZYME PQQ
SYNTHESIS PROTEIN B

(Methylobacterium
extorquens) 		PF12706
(Lactamase_B_2) 		5 ILE A 250
TRP A 288
LEU A 213
ASP A 216
GLY A 217
 None
 1.06A 4foxF-4z7rA:
undetectable		 4foxF-4z7rA:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a5t EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT F
EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT H

(Oryctolagus
cuniculus) 		PF01398
(JAB)
PF13012
(MitMem_reg) 		5 HIS F 115
ILE H  50
LEU H 150
ASP H  42
GLY H  43
 None
 1.25A 4foxF-5a5tF:
undetectable		 4foxF-5a5tF:
18.32
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 GLU A  81
ILE A 102
ASP A 212
GLY A 216
TYR A 252
 DTT  A 402 (-3.0A)
DTT  A 402 ( 4.3A)
None
UMP  A 401 (-3.5A)
UMP  A 401 (-4.6A)
 0.87A 4foxF-5by6A:
36.2		 4foxF-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.
5c30 RYANODINE RECEPTOR 1

(Oryctolagus
cuniculus) 		PF02026
(RyR) 		5 HIS A 879
ILE A 878
LEU A 988
GLY A1004
TYR A1007
 None
 1.31A 4foxF-5c30A:
undetectable		 4foxF-5c30A:
21.98
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.
5esr HALOALKANE
DEHALOGENASE

(Caulobacter
vibrioides) 		PF00561
(Abhydrolase_1) 		5 HIS A 278
GLU A 282
LEU A  14
ASP A 196
GLY A 176
 None
 1.22A 4foxF-5esrA:
undetectable		 4foxF-5esrA:
23.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5h3a ORF70

(Human
gammaherpesvirus
8) 		PF00303
(Thymidylat_synt) 		6 GLU A 111
ILE A 132
LEU A 216
ASP A 242
GLY A 246
TYR A 282
 D16  A 401 ( 4.7A)
D16  A 401 ( 4.0A)
None
D16  A 401 ( 4.0A)
D16  A 401 ( 3.2A)
UMP  A 402 (-4.5A)
 0.90A 4foxF-5h3aA:
36.0		 4foxF-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
LEU A 216
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)
 1.25A 4foxF-5h3aA:
36.0		 4foxF-5h3aA:
49.82
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.
5i84 PHOSPHATE-BINDING
PROTEIN PSTS

(Xanthomonas
citri) 		PF12849
(PBP_like_2) 		5 ILE A 215
LEU A 143
ASP A 126
GLY A 125
PHE A 128
 None
 1.44A 4foxF-5i84A:
undetectable		 4foxF-5i84A:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.42A 4foxF-5lj8A:
undetectable		 4foxF-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) 		7 GLU A 381
ILE A 402
TRP A 403
LEU A 486
ASP A 513
GLY A 517
TYR A 553
 CB3  A 703 ( 4.1A)
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
 0.55A 4foxF-5t0lA:
37.6		 4foxF-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) 		7 ILE A 402
TRP A 403
LEU A 486
ASP A 513
GLY A 517
PHE A 520
TYR A 553
 CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.89A 4foxF-5t0lA:
37.6		 4foxF-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.
5vgm DIHYDROOROTASE

(Vibrio cholerae) 		PF01979
(Amidohydro_1) 		5 ILE A  29
LEU A 271
ASP A  10
GLY A  34
PHE A  68
 None
 1.39A 4foxF-5vgmA:
undetectable		 4foxF-5vgmA:
23.66
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.
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
 1.29A 4foxF-5vm9A:
undetectable		 4foxF-5vm9A:
14.85
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 GLU A  66
ILE A  87
TRP A  88
TRP A  91
LEU A 151
 PGE  A 301 (-4.1A)
PGE  A 301 ( 4.2A)
PGE  A 301 (-3.5A)
PGE  A 301 ( 4.5A)
None
 0.76A 4foxF-6aujA:
35.4		 4foxF-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
ILE A  87
GLY A 181
PHE A 184
TYR A 217
 None
PGE  A 301 ( 4.2A)
PGE  A 301 ( 4.0A)
PGE  A 301 (-3.7A)
None
 1.35A 4foxF-6aujA:
35.4		 4foxF-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 5 GLU A  58
ILE A  79
TRP A  80
TRP A  83
LEU A 143
 CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
None
None
None
 0.61A 4foxF-6cdzA:
40.0		 4foxF-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 7 GLU A  58
ILE A  79
TRP A  83
LEU A 143
ASP A 169
GLY A 173
TYR A 209
 CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
None
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 4.2A)
 0.91A 4foxF-6cdzA:
40.0		 4foxF-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 ILE A  79
TRP A  83
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 CB3  A 701 (-3.9A)
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 1.01A 4foxF-6cdzA:
40.0		 4foxF-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
 1.24A 4foxF-6fayA:
undetectable		 4foxF-6fayA:
18.72