SIMILAR PATTERNS OF AMINO ACIDS FOR 4FOX_A_D16A301_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.
1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)

(Pneumocystis
carinii) 		PF00303
(Thymidylat_synt) 		8 GLU A  65
ILE A  86
TRP A  87
LEU A 170
ASP A 202
LEU A 205
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)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 ( 4.7A)
 0.78A 4foxA-1ci7A:
36.5		 4foxA-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) 		7 ILE A  86
TRP A  87
ASP A 202
LEU A 205
GLY A 206
PHE A 209
TYR A 242
 CB3  A 768 (-3.6A)
None
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)
 1.01A 4foxA-1ci7A:
36.5		 4foxA-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.
1fnz BARK AGGLUTININ I,
POLYPEPTIDE A

(Robinia
pseudoacacia) 		PF00139
(Lectin_legB) 		5 ILE A 121
LEU A  51
LEU A 101
GLY A 108
PHE A 110
 None
 1.18A 4foxA-1fnzA:
0.0		 4foxA-1fnzA:
19.35
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 GLU A  87
ILE A 108
TRP A 109
LEU A 192
ASP A 218
LEU A 221
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 (-4.0A)
D16  A 414 (-3.3A)
UMP  A 314 ( 4.4A)
 0.31A 4foxA-1hvyA:
38.6		 4foxA-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 ILE A 108
TRP A 109
LEU A 192
ASP A 218
LEU A 221
GLY A 222
PHE A 225
TYR A 258
 D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
None
D16  A 414 ( 3.6A)
D16  A 414 (-4.0A)
D16  A 414 (-3.3A)
D16  A 414 (-3.6A)
UMP  A 314 ( 4.4A)
 0.73A 4foxA-1hvyA:
38.6		 4foxA-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 ASP C 513
LEU C 516
GLY C 517
PHE C 520
TYR C 553
 UMP  C 611 (-4.9A)
None
UMP  C 611 (-3.5A)
None
UMP  C 611 (-4.9A)
 0.42A 4foxA-1j3jC:
35.8		 4foxA-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) 		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)
 0.79A 4foxA-1j3jC:
35.8		 4foxA-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) 		5 GLU C 382
ILE C 403
LEU C 487
ASP C 513
GLY C 517
 None
None
None
UMP  C 611 (-4.9A)
UMP  C 611 (-3.5A)
 1.11A 4foxA-1j3jC:
35.8		 4foxA-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.
1qnr ENDO-1,4-B-D-MANNANA
SE

(Trichoderma
reesei) 		PF00150
(Cellulase) 		5 GLU A 275
ILE A 107
LEU A 166
ASP A 236
LEU A 199
 None
 1.17A 4foxA-1qnrA:
0.0		 4foxA-1qnrA:
19.45
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.
1qo4 PEROXIDASE

(Arabidopsis
thaliana) 		PF00141
(peroxidase) 		5 ILE A 142
LEU A 145
ASP A 246
LEU A 243
TYR A 232
 None
 1.18A 4foxA-1qo4A:
0.2		 4foxA-1qo4A:
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.
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)
 1.19A 4foxA-1s1fA:
0.0		 4foxA-1s1fA:
21.36
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 GLU A  79
ILE A 100
TRP A 101
LEU A 184
ASP A 219
LEU A 222
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 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 0.34A 4foxA-2aazA:
undetectable		 4foxA-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) 		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)
 0.81A 4foxA-2h2qA:
34.5		 4foxA-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 GLU A 295
ILE A 316
LEU A 400
GLY A 430
TYR A 466
 None
None
None
DU  A 611 (-3.5A)
DU  A 611 (-4.6A)
 0.84A 4foxA-2h2qA:
34.5		 4foxA-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 GLU A 295
ILE A 316
TRP A 317
LEU A 400
TYR A 466
 None
None
None
None
DU  A 611 (-4.6A)
 0.79A 4foxA-2h2qA:
34.5		 4foxA-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)
 0.87A 4foxA-2h2qA:
34.5		 4foxA-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
LEU A 400
GLY A 430
PHE A 433
TYR A 466
 None
None
DU  A 611 (-3.5A)
None
DU  A 611 (-4.6A)
 1.15A 4foxA-2h2qA:
34.5		 4foxA-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
TRP A 317
LEU A 400
PHE A 433
TYR A 466
 None
None
None
None
DU  A 611 (-4.6A)
 1.09A 4foxA-2h2qA:
34.5		 4foxA-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.
2ijz PROBABLE M18-FAMILY
AMINOPEPTIDASE 2

(Pseudomonas
aeruginosa) 		PF02127
(Peptidase_M18) 		5 ILE A 230
LEU A  13
ASP A 411
LEU A 328
GLY A 408
 None
 1.06A 4foxA-2ijzA:
undetectable		 4foxA-2ijzA:
22.32
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.
2mjh FEMALE
GERMLINE-SPECIFIC
TUMOR SUPPRESSOR
GLD-1

(Caenorhabditis
elegans) 		PF00013
(KH_1) 		5 HIS A 261
SER A 251
LEU A 302
LEU A 226
GLY A 223
 None
None
None
A  B  22 ( 3.6A)
U  B  20 ( 3.1A)
 1.02A 4foxA-2mjhA:
undetectable		 4foxA-2mjhA:
17.49
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		9 GLU A 294
ILE A 315
TRP A 316
LEU A 399
ASP A 426
LEU A 429
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 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
 0.51A 4foxA-2oipA:
38.0		 4foxA-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)
 0.82A 4foxA-2tddA:
35.6		 4foxA-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)
 0.97A 4foxA-2tddA:
35.6		 4foxA-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 LEU A 195
ASP A 221
LEU A 224
GLY A 225
PHE A 228
TYR A 261
 THF  A 568 (-4.6A)
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)
 0.81A 4foxA-2tddA:
35.6		 4foxA-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.
2w3p BENZOYL-COA-DIHYDROD
IOL LYASE

(Paraburkholderia
xenovorans) 		PF00378
(ECH_1) 		5 ILE A  36
LEU A  50
LEU A 147
GLY A 144
PHE A  90
 BME  A 602 (-3.9A)
None
BME  A 602 (-4.6A)
None
None
 1.19A 4foxA-2w3pA:
undetectable		 4foxA-2w3pA:
19.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wyh ALPHA-MANNOSIDASE

(Streptococcus
pyogenes) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		5 HIS A 349
SER A  99
LEU A 841
ASP A 110
GLY A 107
 None
 1.13A 4foxA-2wyhA:
undetectable		 4foxA-2wyhA:
14.27
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.
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
 1.10A 4foxA-3eatX:
undetectable		 4foxA-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.
3fhn PROTEIN TRANSPORT
PROTEIN TIP20

(Saccharomyces
cerevisiae) 		PF04437
(RINT1_TIP1) 		5 TRP A 361
LEU A 415
ASP A 338
LEU A 352
GLY A 351
 None
 1.20A 4foxA-3fhnA:
undetectable		 4foxA-3fhnA:
16.31
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.
3ijp DIHYDRODIPICOLINATE
REDUCTASE

(Bartonella
henselae) 		PF01113
(DapB_N)
PF05173
(DapB_C) 		5 SER A 236
ILE A 237
LEU A 131
ASP A 214
GLY A 213
 None
None
None
None
UNX  A 268 ( 3.9A)
 0.98A 4foxA-3ijpA:
undetectable		 4foxA-3ijpA:
23.60
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
 0.83A 4foxA-3ix6A:
35.8		 4foxA-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) 		6 LEU A 143
ASP A 169
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 None
 0.89A 4foxA-3ix6A:
35.8		 4foxA-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
 0.59A 4foxA-3ix6A:
35.8		 4foxA-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) 		6 SER A  54
GLU A  58
LEU A 143
ASP A 169
GLY A 173
TYR A 209
 None
 1.06A 4foxA-3ix6A:
35.8		 4foxA-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
TRP A  80
TRP A  83
LEU A 143
 None
 0.74A 4foxA-3ix6A:
35.8		 4foxA-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.
3k49 MRNA-BINDING PROTEIN
PUF3

(Saccharomyces
cerevisiae) 		PF00806
(PUF) 		5 ILE A 539
LEU A 544
ASP A 549
GLY A 552
PHE A 555
 None
 1.09A 4foxA-3k49A:
undetectable		 4foxA-3k49A:
20.74
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
 0.97A 4foxA-3kgbA:
33.3		 4foxA-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 SER A 281
GLU A 285
ILE A 306
TRP A 307
LEU A 390
ASP A 416
LEU A 419
GLY A 420
PHE A 423
TYR A 456
 None
GOL  A 516 (-3.2A)
GOL  A 516 (-3.9A)
GOL  A 516 (-3.7A)
None
None
None
None
None
None
 0.69A 4foxA-3kjrA:
37.7		 4foxA-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.
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
 1.18A 4foxA-3op7A:
undetectable		 4foxA-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.
3p27 ELONGATION FACTOR 1
ALPHA-LIKE PROTEIN

(Saccharomyces
cerevisiae) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3) 		5 SER A 169
LEU A 402
LEU A 406
GLY A 423
PHE A 473
 None
 1.15A 4foxA-3p27A:
undetectable		 4foxA-3p27A:
20.35
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.
3pz9 MANNAN
ENDO-1,4-BETA-MANNOS
IDASE. GLYCOSYL
HYDROLASE FAMILY 5

(Thermotoga
petrophila) 		PF00150
(Cellulase) 		5 GLU A 316
ILE A 127
LEU A 195
ASP A 273
LEU A 229
 None
 1.18A 4foxA-3pz9A:
undetectable		 4foxA-3pz9A:
20.61
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 ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
None
UMP  A 611 (-4.5A)
 0.47A 4foxA-3um6A:
36.0		 4foxA-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 GLU A 382
ILE A 403
LEU A 487
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)
 1.01A 4foxA-3um6A:
36.0		 4foxA-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) 		7 SER A  54
GLU A  58
LEU A 189
ASP A 217
LEU A 220
GLY A 221
TYR A 257
 None
None
CIT  A 400 (-4.3A)
None
None
None
CIT  A 400 (-4.5A)
 0.94A 4foxA-3v8hA:
34.7		 4foxA-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 SER A  54
GLU A  58
TRP A  80
LEU A 189
TYR A 257
 None
None
None
CIT  A 400 (-4.3A)
CIT  A 400 (-4.5A)
 0.91A 4foxA-3v8hA:
34.7		 4foxA-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 SER A  54
GLU A 228
ASP A 217
GLY A 221
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 1.19A 4foxA-3v8hA:
34.7		 4foxA-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
LEU A 189
ASP A 217
GLY A 221
PHE A 224
TYR A 257
 None
CIT  A 400 (-4.3A)
None
None
None
CIT  A 400 (-4.5A)
 1.11A 4foxA-3v8hA:
34.7		 4foxA-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 SER A  54
TRP A  80
LEU A 189
PHE A 224
TYR A 257
 None
None
CIT  A 400 (-4.3A)
None
CIT  A 400 (-4.5A)
 1.10A 4foxA-3v8hA:
34.7		 4foxA-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.
3wfl BETA-MANNANASE

(Talaromyces
trachyspermus) 		PF00150
(Cellulase) 		5 GLU A 308
ILE A 139
LEU A 198
ASP A 269
LEU A 231
 None
 1.16A 4foxA-3wflA:
undetectable		 4foxA-3wflA:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ziz GH5
ENDO-BETA-1,4-MANNAN
ASE

(Podospora
anserina) 		PF00150
(Cellulase) 		5 GLU A 275
ILE A 107
LEU A 166
ASP A 236
LEU A 199
 None
 1.16A 4foxA-3zizA:
undetectable		 4foxA-3zizA:
21.56
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.
4awe ENDO-BETA-D-1,4-MANN
ANASE

(Neurospora
sitophila) 		PF00150
(Cellulase) 		5 GLU A 300
ILE A 118
LEU A 178
ASP A 261
LEU A 223
 None
 1.14A 4foxA-4aweA:
undetectable		 4foxA-4aweA:
20.30
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)
 0.88A 4foxA-4dq1A:
36.2		 4foxA-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)
 0.64A 4foxA-4dq1A:
36.2		 4foxA-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)
 1.08A 4foxA-4dq1A:
36.2		 4foxA-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)
 1.10A 4foxA-4dq1A:
36.2		 4foxA-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
LEU A 227
GLY A 228
TYR A 264
 None
None
None
UMP  A 501 ( 4.0A)
UMP  A 501 (-4.2A)
 0.63A 4foxA-4dq1A:
36.2		 4foxA-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 HIS A  51
SER A  54
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)
C2F  A 302 (-3.4A)
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)
 0.43A 4foxA-4fogA:
43.7		 4foxA-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
ASP A 172
LEU A 175
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 4foxA-4h0uA:
40.5		 4foxA-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
SER A  57
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)
 0.69A 4foxA-4h0uA:
40.5		 4foxA-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) 		7 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
UMP  A 301 (-3.6A)
UMP  A 301 (-4.5A)
 0.72A 4foxA-4h0uA:
40.5		 4foxA-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) 		7 HIS A  54
SER A  57
GLU A  61
ILE A  82
TRP A  83
TRP A  86
LEU A 146
 None
 0.66A 4foxA-4h0uA:
40.5		 4foxA-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) 		7 HIS A  54
SER A  57
GLU A  61
ILE A  82
TRP A  86
LEU A 146
GLY A 176
 None
None
None
None
None
None
UMP  A 301 (-3.6A)
 0.78A 4foxA-4h0uA:
40.5		 4foxA-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) 		5 HIS A  54
TRP A  86
LEU A 146
GLY A 176
PHE A 179
 None
None
None
UMP  A 301 (-3.6A)
None
 0.97A 4foxA-4h0uA:
40.5		 4foxA-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) 		6 GLU A  89
ILE A 110
ASP A 220
LEU A 223
GLY A 224
TYR A 260
 None
D16  A 402 (-4.0A)
D16  A 402 ( 4.0A)
D16  A 402 (-3.7A)
D16  A 402 ( 3.1A)
D16  A 402 ( 4.2A)
 0.70A 4foxA-4iqqA:
36.2		 4foxA-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 GLU A  89
ILE A 110
LEU A 194
LEU A 223
GLY A 224
 None
D16  A 402 (-4.0A)
None
D16  A 402 (-3.7A)
D16  A 402 ( 3.1A)
 0.80A 4foxA-4iqqA:
36.2		 4foxA-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 GLU A  89
ILE A 110
TRP A 111
LEU A 194
LEU A 223
 None
D16  A 402 (-4.0A)
None
None
D16  A 402 (-3.7A)
 0.90A 4foxA-4iqqA:
36.2		 4foxA-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) 		6 ILE A 110
ASP A 220
LEU A 223
GLY A 224
PHE A 227
TYR A 260
 D16  A 402 (-4.0A)
D16  A 402 ( 4.0A)
D16  A 402 (-3.7A)
D16  A 402 ( 3.1A)
D16  A 402 (-3.2A)
D16  A 402 ( 4.2A)
 0.95A 4foxA-4iqqA:
36.2		 4foxA-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.
4lnf GLUTAMINE SYNTHETASE

(Bacillus
subtilis) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		6 GLU A 419
LEU A 413
ASP A  27
LEU A  29
GLY A  59
PHE A  60
 None
 1.34A 4foxA-4lnfA:
undetectable		 4foxA-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
 1.19A 4foxA-4mj3A:
undetectable		 4foxA-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.
4pg6 HOMOSERINE
DEHYDROGENASE

(Staphylococcus
aureus) 		PF00742
(Homoserine_dh)
PF03447
(NAD_binding_3) 		5 HIS A  59
ILE A  67
LEU A  90
LEU A   8
GLY A  10
 None
None
None
None
DMS  A 511 (-3.2A)
 1.14A 4foxA-4pg6A:
undetectable		 4foxA-4pg6A:
19.87
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.
4r7u UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Vibrio cholerae) 		PF00275
(EPSP_synthase) 		5 HIS A 256
ILE A  19
LEU A 407
LEU A 240
GLY A 237
 None
 1.17A 4foxA-4r7uA:
undetectable		 4foxA-4r7uA:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r81 NADH DEHYDROGENASE

(Methanothermobacter
marburgensis) 		PF02525
(Flavodoxin_2) 		5 HIS A   9
SER A  16
LEU A  82
GLY A  37
PHE A   7
 FMN  A 300 (-3.9A)
FMN  A 300 (-2.7A)
None
None
None
 1.16A 4foxA-4r81A:
undetectable		 4foxA-4r81A:
21.30
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)
 0.75A 4foxA-4xscA:
36.4		 4foxA-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)
 0.83A 4foxA-4xscA:
36.4		 4foxA-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)
 1.14A 4foxA-4xscA:
36.4		 4foxA-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
LEU A 209
GLY A 210
TYR A 246
 1PE  A1002 (-4.6A)
BVP  A1001 ( 4.5A)
None
None
BVP  A1001 (-3.4A)
BVP  A1001 (-4.5A)
 0.77A 4foxA-4xscA:
36.4		 4foxA-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)
 1.20A 4foxA-4xscA:
36.4		 4foxA-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
 1.00A 4foxA-4z7rA:
undetectable		 4foxA-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.
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
 1.08A 4foxA-5a22A:
undetectable		 4foxA-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) 		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)
 0.83A 4foxA-5by6A:
36.2		 4foxA-5by6A:
45.60
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 ILE A 102
ASP A 212
GLY A 216
PHE A 219
TYR A 252
 DTT  A 402 ( 4.3A)
None
UMP  A 401 (-3.5A)
DTT  A 402 ( 4.1A)
UMP  A 401 (-4.6A)
 1.16A 4foxA-5by6A:
36.2		 4foxA-5by6A:
45.60
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)
 0.78A 4foxA-5h3aA:
36.1		 4foxA-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) 		6 ILE A 132
LEU A 216
ASP A 242
GLY A 246
PHE A 249
TYR A 282
 D16  A 401 ( 4.0A)
None
D16  A 401 ( 4.0A)
D16  A 401 ( 3.2A)
D16  A 401 (-3.4A)
UMP  A 402 (-4.5A)
 1.18A 4foxA-5h3aA:
36.1		 4foxA-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.
5hy7 PUTATIVE PRE-MRNA
SPLICING PROTEIN

(Chaetomium
thermophilum) 		PF03178
(CPSF_A)
PF10433
(MMS1_N) 		5 ILE A1204
LEU A1180
ASP A1173
GLY A1172
PHE A1137
 None
 1.18A 4foxA-5hy7A:
undetectable		 4foxA-5hy7A:
12.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5j7w THYMIDYLATE SYNTHASE

(Enterococcus
faecalis) 		PF00303
(Thymidylat_synt) 		5 GLU A  59
ASP A 220
LEU A 223
GLY A 224
TYR A 260
 None
 0.64A 4foxA-5j7wA:
36.0		 4foxA-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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 GLU A 381
ILE A 402
TRP A 403
LEU A 486
ASP A 513
LEU A 516
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 (-3.7A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
 0.46A 4foxA-5t0lA:
37.6		 4foxA-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 ILE A 402
TRP A 403
LEU A 486
ASP A 513
LEU A 516
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 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
 0.83A 4foxA-5t0lA:
37.6		 4foxA-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.
5yq7 PRECURSOR FOR L
SUBUNITS OF
PHOTOSYNTHETIC
REACTION CENTER
PRECURSOR FOR M
SUBUNITS OF
PHOTOSYNTHETIC
REACTION CENTER

(Roseiflexus
castenholzii) 		no annotation 5 SER M 554
GLU M 557
ILE M 546
LEU M 539
GLY L 262
 None
FE  L1005 (-1.7A)
None
None
None
 1.12A 4foxA-5yq7M:
undetectable		 4foxA-5yq7M:
16.33
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
 0.96A 4foxA-6aujA:
35.5		 4foxA-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
 0.61A 4foxA-6aujA:
35.5		 4foxA-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) 		7 HIS A  59
SER A  62
GLU A  66
ILE A  87
TRP A  88
TRP A  91
LEU A 151
 None
None
PGE  A 301 (-4.1A)
PGE  A 301 ( 4.2A)
PGE  A 301 (-3.5A)
PGE  A 301 ( 4.5A)
None
 0.74A 4foxA-6aujA:
35.5		 4foxA-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
 1.22A 4foxA-6aujA:
35.5		 4foxA-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
TRP A  88
TRP A  91
PHE A 184
 None
None
PGE  A 301 ( 4.2A)
PGE  A 301 (-3.5A)
PGE  A 301 ( 4.5A)
PGE  A 301 (-3.7A)
 1.01A 4foxA-6aujA:
35.5		 4foxA-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
TRP A  91
GLY A 181
PHE A 184
 None
None
PGE  A 301 ( 4.2A)
PGE  A 301 ( 4.5A)
PGE  A 301 ( 4.0A)
PGE  A 301 (-3.7A)
 1.28A 4foxA-6aujA:
35.5		 4foxA-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
TRP A  91
ASP A 177
GLY A 181
 None
None
PGE  A 301 ( 4.5A)
None
PGE  A 301 ( 4.0A)
 0.95A 4foxA-6aujA:
35.5		 4foxA-6aujA:
61.40
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.
6bs9 STAGE III
SPORULATION PROTEIN
AB

(Bacillus
subtilis) 		no annotation 5 HIS A 136
SER A 140
GLU A 141
ILE A  32
LEU A  39
 SO4  A 202 (-4.4A)
None
None
None
None
 1.13A 4foxA-6bs9A:
undetectable		 4foxA-6bs9A:
16.44
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 SER A  54
GLU A  58
ILE A  79
TRP A  80
TRP A  83
LEU A 143
LEU A 172
 None
CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
None
None
None
CB3  A 701 (-3.5A)
 0.65A 4foxA-6cdzA:
40.2		 4foxA-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 SER A  54
GLU A  58
ILE A  79
TRP A  83
LEU A 143
ASP A 169
LEU A 172
GLY A 173
TYR A 209
 None
CB3  A 701 ( 4.3A)
CB3  A 701 (-3.9A)
None
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 4.2A)
 0.73A 4foxA-6cdzA:
40.2		 4foxA-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)
 0.99A 4foxA-6cdzA:
40.2		 4foxA-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)
 0.92A 4foxA-6cdzA:
40.2		 4foxA-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 4foxA-6fayA:
undetectable		 4foxA-6fayA:
18.72