SIMILAR PATTERNS OF AMINO ACIDS FOR 4FOG_D_C2FD302

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
ILE A  93
ASP A 184
GLY A 188
TYR A 224
 None
 0.87A 4fogD-1bsfA:
32.1		 4fogD-1bsfA:
35.46
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
ILE A  93
ASP A 184
LEU A 187
GLY A 188
 None
 0.90A 4fogD-1bsfA:
32.1		 4fogD-1bsfA:
35.46
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.
1cbf COBALT-PRECORRIN-4
TRANSMETHYLASE

(Bacillus
megaterium) 		PF00590
(TP_methylase) 		5 ILE A 243
LEU A 155
LEU A 249
GLY A 246
ALA A 137
 None
 1.19A 4fogD-1cbfA:
0.0		 4fogD-1cbfA:
21.61
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
ASP A 202
LEU A 205
GLY A 206
PHE A 209
TYR A 242
 CB3  A 768 (-3.6A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.78A 4fogD-1ci7A:
37.8		 4fogD-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
LEU A 170
ASP A 202
LEU A 205
GLY A 206
TYR A 242
 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)
 0.70A 4fogD-1ci7A:
37.8		 4fogD-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.
1d4e FLAVOCYTOCHROME C
FUMARATE REDUCTASE

(Shewanella
oneidensis) 		PF00890
(FAD_binding_2)
PF14537
(Cytochrom_c3_2) 		5 ILE A  65
TRP A 261
LEU A 153
GLY A 162
ALA A 136
 None
None
None
FAD  A 600 (-3.2A)
FAD  A 600 (-3.3A)
 1.30A 4fogD-1d4eA:
undetectable		 4fogD-1d4eA:
17.80
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.
1htw HI0065

(Haemophilus
influenzae) 		PF02367
(TsaE) 		5 ILE A  24
LEU A 111
ASP A 126
LEU A 148
GLY A 149
 None
 1.22A 4fogD-1htwA:
0.0		 4fogD-1htwA:
20.45
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
LEU A 192
ASP A 218
LEU A 221
GLY A 222
PHE A 225
TYR A 258
ALA A 312
 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)
D16  A 414 (-3.6A)
 0.86A 4fogD-1hvyA:
39.4		 4fogD-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
ILE A 108
LEU A 192
ASP A 218
LEU A 221
GLY A 222
TYR A 258
ALA A 312
 D16  A 414 ( 4.3A)
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)
D16  A 414 (-3.6A)
 0.65A 4fogD-1hvyA:
39.4		 4fogD-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
ILE A 108
TRP A 109
LEU A 192
ASP A 218
GLY A 222
TYR A 258
ALA A 312
 D16  A 414 ( 4.3A)
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)
D16  A 414 (-3.6A)
 0.57A 4fogD-1hvyA:
39.4		 4fogD-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 ILE C 403
ASP C 513
LEU C 516
GLY C 517
TYR C 553
 None
UMP  C 611 (-4.9A)
None
UMP  C 611 (-3.5A)
UMP  C 611 (-4.9A)
 0.57A 4fogD-1j3jC:
35.7		 4fogD-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 ILE C 403
TRP C 404
LEU C 516
GLY C 517
TYR C 553
 None
None
None
UMP  C 611 (-3.5A)
UMP  C 611 (-4.9A)
 0.94A 4fogD-1j3jC:
35.7		 4fogD-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
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)
 0.52A 4fogD-1j3jC:
35.7		 4fogD-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
LEU C 487
ASP C 513
LEU C 516
GLY C 517
PHE C 520
 None
None
UMP  C 611 (-4.9A)
None
UMP  C 611 (-3.5A)
None
 0.88A 4fogD-1j3jC:
35.7		 4fogD-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.
1l5j ACONITATE HYDRATASE
2

(Escherichia
coli) 		PF00330
(Aconitase)
PF06434
(Aconitase_2_N)
PF11791
(Aconitase_B_N) 		5 ILE A 114
LEU A  81
LEU A 102
GLY A  91
ALA A  69
 None
 1.22A 4fogD-1l5jA:
0.0		 4fogD-1l5jA:
15.61
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.
1pxt PEROXISOMAL
3-KETOACYL-COA
THIOLASE

(Saccharomyces
cerevisiae) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ILE A  85
LEU A  67
PHE A  74
TYR A  64
ALA A 109
 None
 1.19A 4fogD-1pxtA:
0.0		 4fogD-1pxtA:
20.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tis THYMIDYLATE SYNTHASE

(Escherichia
virus T4) 		PF00303
(Thymidylat_synt) 		5 LEU A 153
ASP A 179
LEU A 182
GLY A 183
TYR A 219
 None
 0.93A 4fogD-1tisA:
31.1		 4fogD-1tisA:
46.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uls PUTATIVE
3-OXOACYL-ACYL
CARRIER PROTEIN
REDUCTASE

(Thermus
thermophilus) 		PF13561
(adh_short_C2) 		5 ILE A  10
LEU A 133
LEU A  78
GLY A  80
ALA A 118
 None
 1.29A 4fogD-1ulsA:
undetectable		 4fogD-1ulsA:
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.
1yqd SINAPYL ALCOHOL
DEHYDROGENASE

(Populus
tremuloides) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ILE A 275
LEU A 248
GLY A 179
PHE A 178
ALA A 203
 None
 1.26A 4fogD-1yqdA:
undetectable		 4fogD-1yqdA:
21.27
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
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 ( 4.1A)
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)
 0.44A 4fogD-2aazA:
undetectable		 4fogD-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.
2fpo METHYLASE YHHF

(Escherichia
coli) 		PF03602
(Cons_hypoth95) 		5 ILE A  12
LEU A  95
ASP A  58
LEU A  66
ALA A  70
 None
 1.18A 4fogD-2fpoA:
undetectable		 4fogD-2fpoA:
23.83
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 ILE A 316
ASP A 426
LEU A 429
GLY A 430
PHE A 433
TYR A 466
 None
None
None
DU  A 611 (-3.5A)
None
DU  A 611 (-4.6A)
 0.84A 4fogD-2h2qA:
34.6		 4fogD-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) 		6 ILE A 316
LEU A 400
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)
 0.98A 4fogD-2h2qA:
34.6		 4fogD-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) 		6 ILE A 316
TRP A 317
ASP A 426
GLY A 430
PHE A 433
TYR A 466
 None
None
None
DU  A 611 (-3.5A)
None
DU  A 611 (-4.6A)
 0.91A 4fogD-2h2qA:
34.6		 4fogD-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) 		6 ILE A 316
TRP A 317
LEU A 400
ASP A 426
GLY A 430
TYR A 466
 None
None
None
None
DU  A 611 (-3.5A)
DU  A 611 (-4.6A)
 0.96A 4fogD-2h2qA:
34.6		 4fogD-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.
2nq2 HYPOTHETICAL ABC
TRANSPORTER PERMEASE
PROTEIN HI1471

(Haemophilus
influenzae) 		PF01032
(FecCD) 		5 ILE A 243
LEU A  78
LEU A 221
GLY A  85
PHE A  87
 None
 1.23A 4fogD-2nq2A:
undetectable		 4fogD-2nq2A:
22.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		10 LYS A 284
ILE A 315
TRP A 316
LEU A 399
ASP A 426
LEU A 429
GLY A 430
PHE A 433
TYR A 466
ALA A 520
 CB3  A 604 ( 4.7A)
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)
CB3  A 604 ( 4.0A)
 0.45A 4fogD-2oipA:
39.3		 4fogD-2oipA:
28.42
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.
2rch CYTOCHROME P450 74A

(Arabidopsis
thaliana) 		PF00067
(p450) 		5 LEU A 449
ASP A 426
GLY A 119
PHE A 122
ALA A 433
 None
 1.17A 4fogD-2rchA:
undetectable		 4fogD-2rchA:
18.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2tdd THYMIDYLATE SYNTHASE

(Lactobacillus
casei) 		PF00303
(Thymidylat_synt) 		5 ILE A  81
TRP A  82
TRP A  85
LEU A 195
PHE A 228
 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)
 1.08A 4fogD-2tddA:
35.7		 4fogD-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) 		8 LYS A  50
ILE A  81
LEU A 195
ASP A 221
LEU A 224
GLY A 225
PHE A 228
TYR A 261
 THF  A 568 ( 4.7A)
THF  A 568 ( 4.8A)
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)
 0.82A 4fogD-2tddA:
35.7		 4fogD-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) 		8 LYS A  50
ILE A  81
TRP A  82
LEU A 195
ASP A 221
LEU A 224
GLY A 225
PHE A 228
 THF  A 568 ( 4.7A)
THF  A 568 ( 4.8A)
THF  A 568 ( 4.6A)
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)
 0.91A 4fogD-2tddA:
35.7		 4fogD-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.
2v8n LACTOSE PERMEASE

(Escherichia
coli) 		PF01306
(LacY_symp) 		5 TRP A  33
LEU A  34
LEU A 114
GLY A 115
PHE A 118
 None
 0.87A 4fogD-2v8nA:
undetectable		 4fogD-2v8nA:
21.38
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.
2xn8 PUTATIVE CYTOCHROME
P450 125

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		5 ILE A 179
LEU A 243
LEU A 382
GLY A 379
ALA A 139
 None
None
HEM  A1434 ( 4.9A)
HEM  A1434 (-3.6A)
None
 1.10A 4fogD-2xn8A:
undetectable		 4fogD-2xn8A:
19.39
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.
3cf4 ACETYL-COA
DECARBOXYLASE/SYNTHA
SE ALPHA SUBUNIT

(Methanosarcina
barkeri) 		PF03063
(Prismane) 		5 LYS A 637
ILE A 281
ASP A 320
GLY A 249
ALA A 253
 WCC  A 811 ( 3.6A)
None
None
None
None
 1.10A 4fogD-3cf4A:
undetectable		 4fogD-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.
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
 1.09A 4fogD-3fhnA:
undetectable		 4fogD-3fhnA:
16.31
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
 0.74A 4fogD-3ix6A:
35.5		 4fogD-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.
3jxz ALKYLPURINE DNA
GLYCOSYLASE ALKD

(Bacillus cereus) 		PF08713
(DNA_alkylation) 		5 ILE A 131
ASP A 122
LEU A 125
GLY A 121
PHE A 153
 None
 1.27A 4fogD-3jxzA:
undetectable		 4fogD-3jxzA:
21.86
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 ASP A 197
LEU A 200
GLY A 201
PHE A 204
TYR A 237
 None
 1.03A 4fogD-3kgbA:
33.4		 4fogD-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) 		9 LYS A 275
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 (-3.9A)
GOL  A 516 (-3.7A)
None
None
None
None
None
None
 0.62A 4fogD-3kjrA:
38.7		 4fogD-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.
3lp8 PHOSPHORIBOSYLAMINE-
GLYCINE LIGASE

(Ehrlichia
chaffeensis) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 LYS A 214
ILE A 274
LEU A 282
GLY A 271
ALA A 118
 None
 1.29A 4fogD-3lp8A:
undetectable		 4fogD-3lp8A:
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.
3m66 MTERF
DOMAIN-CONTAINING
PROTEIN 1,
MITOCHONDRIAL

(Homo sapiens) 		PF02536
(mTERF) 		5 ILE A 215
LEU A 166
LEU A 205
GLY A 206
PHE A 208
 None
 1.25A 4fogD-3m66A:
undetectable		 4fogD-3m66A:
19.03
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.
3mn1 PROBABLE YRBI FAMILY
PHOSPHATASE

(Pseudomonas
savastanoi) 		PF08282
(Hydrolase_3) 		5 ILE A  65
LEU A  97
LEU A 114
GLY A 115
ALA A 112
 None
 1.19A 4fogD-3mn1A:
undetectable		 4fogD-3mn1A:
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.
3ndc PRECORRIN-4
C(11)-METHYLTRANSFER
ASE

(Rhodobacter
capsulatus) 		PF00590
(TP_methylase) 		5 ILE A 222
LEU A 135
LEU A 228
GLY A 225
ALA A 117
 None
 1.27A 4fogD-3ndcA:
undetectable		 4fogD-3ndcA:
22.90
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.
3nzg PUTATIVE RACEMASE

(Pseudovibrio
sp. JE062) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 294
ASP A 116
LEU A  45
GLY A  44
ALA A 323
 None
 1.26A 4fogD-3nzgA:
undetectable		 4fogD-3nzgA:
19.70
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 4fogD-3op7A:
undetectable		 4fogD-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.
3uho GLUTAMATE RACEMASE

(Campylobacter
jejuni) 		PF01177
(Asp_Glu_race) 		5 ILE A 207
LEU A  66
ASP A   7
GLY A  12
ALA A  73
 None
None
DGL  A 260 (-3.3A)
None
None
 1.11A 4fogD-3uhoA:
undetectable		 4fogD-3uhoA:
21.80
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ILE A 403
ASP A 513
LEU A 516
GLY A 517
TYR A 553
 None
UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.62A 4fogD-3um6A:
35.8		 4fogD-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) 		7 LYS A 372
LEU A 487
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 None
None
UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
None
UMP  A 611 (-4.5A)
 0.83A 4fogD-3um6A:
35.8		 4fogD-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
LEU A 189
ASP A 217
LEU A 220
GLY A 221
TYR A 257
 None
CIT  A 400 (-4.3A)
None
None
None
CIT  A 400 (-4.5A)
 0.74A 4fogD-3v8hA:
34.6		 4fogD-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 LYS A  48
TRP A  80
LEU A 189
LEU A 220
GLY A 221
TYR A 257
 None
None
CIT  A 400 (-4.3A)
None
None
CIT  A 400 (-4.5A)
 0.76A 4fogD-3v8hA:
34.6		 4fogD-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.
3vsj 2-AMINO-5-CHLOROPHEN
OL 1,6-DIOXYGENASE
BETA SUBUNIT

(Comamonas
testosteroni) 		PF02900
(LigB) 		5 ILE B 149
LEU B 135
ASP B  99
LEU B 102
PHE B  71
 None
 1.15A 4fogD-3vsjB:
undetectable		 4fogD-3vsjB:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cw4 BETA-KETOACYL
SYNTHASE

(Pseudomonas
aeruginosa) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 LEU A 177
ASP A 196
GLY A  12
TYR A 580
ALA A 584
 None
 1.01A 4fogD-4cw4A:
undetectable		 4fogD-4cw4A:
19.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dq1 THYMIDYLATE SYNTHASE

(Staphylococcus
aureus) 		PF00303
(Thymidylat_synt) 		6 ILE A  84
LEU A 198
ASP A 224
GLY A 228
PHE A 231
TYR A 264
 None
None
None
UMP  A 501 ( 4.0A)
None
UMP  A 501 (-4.2A)
 1.16A 4fogD-4dq1A:
36.1		 4fogD-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) 		7 LYS A  53
ILE A  84
LEU A 198
ASP A 224
LEU A 227
GLY A 228
TYR A 264
 None
None
None
None
None
UMP  A 501 ( 4.0A)
UMP  A 501 (-4.2A)
 0.95A 4fogD-4dq1A:
36.1		 4fogD-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) 		8 LYS A  48
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 (-3.3A)
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)
 0.33A 4fogD-4fogA:
43.2		 4fogD-4fogA:
100.00
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.
4gh7 NEUTROPHIL
GELATINASE-ASSOCIATE
D LIPOCALIN

(Homo sapiens) 		PF00061
(Lipocalin) 		5 ILE A 153
LEU A 159
LEU A 137
GLY A  35
PHE A 168
 None
 1.19A 4fogD-4gh7A:
undetectable		 4fogD-4gh7A:
23.02
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 ILE A  82
TRP A  83
TRP A  86
LEU A 146
GLY A 176
 None
None
None
None
UMP  A 301 (-3.6A)
 0.82A 4fogD-4h0uA:
40.5		 4fogD-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 LYS A  51
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)
 0.55A 4fogD-4h0uA:
40.5		 4fogD-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 LYS A  51
ILE A  82
ASP A 172
LEU A 175
GLY A 176
TYR A 212
 None
None
None
None
UMP  A 301 (-3.6A)
UMP  A 301 (-4.5A)
 0.69A 4fogD-4h0uA:
40.5		 4fogD-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 LYS A  51
ILE A  82
LEU A 146
ASP A 172
LEU A 175
GLY A 176
 None
None
None
None
None
UMP  A 301 (-3.6A)
 0.97A 4fogD-4h0uA:
40.5		 4fogD-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 LYS A  51
ILE A  82
TRP A  83
LEU A 146
GLY A 176
 None
None
None
None
UMP  A 301 (-3.6A)
 0.88A 4fogD-4h0uA:
40.5		 4fogD-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 LYS A  51
LEU A 146
ASP A 172
LEU A 175
GLY A 176
PHE A 179
 None
None
None
None
UMP  A 301 (-3.6A)
None
 0.84A 4fogD-4h0uA:
40.5		 4fogD-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.
4iit PHENYLACETATE-COA
OXYGENASE SUBUNIT
PAAC

(Klebsiella
pneumoniae) 		PF05138
(PaaA_PaaC) 		5 LEU C  49
ASP C  16
LEU C  12
TYR C  80
ALA C  72
 None
 1.26A 4fogD-4iitC:
undetectable		 4fogD-4iitC:
22.90
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 4fogD-4iqqA:
36.0		 4fogD-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
TRP A 111
LEU A 223
GLY A 224
PHE A 227
 D16  A 402 (-4.0A)
None
D16  A 402 (-3.7A)
D16  A 402 ( 3.1A)
D16  A 402 (-3.2A)
 1.06A 4fogD-4iqqA:
36.0		 4fogD-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.
4irn PROLYL-ACP
DEHYDROGENASE

([Oscillatoria]
sp. PCC 6506) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 LEU A  76
ASP A  82
GLY A  84
PHE A  87
ALA A  41
 None
None
None
FAD  A 400 (-4.9A)
None
 1.14A 4fogD-4irnA:
undetectable		 4fogD-4irnA:
19.91
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 153
LEU A 159
LEU A 137
GLY A  35
PHE A 168
 None
 1.16A 4fogD-4qaeA:
undetectable		 4fogD-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.
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
 1.22A 4fogD-4qtuB:
undetectable		 4fogD-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.
4uqz HSIE1

(Pseudomonas
aeruginosa) 		PF07024
(ImpE) 		5 ILE A 128
LEU A 199
ASP A 174
LEU A 179
GLY A 180
 None
 1.27A 4fogD-4uqzA:
undetectable		 4fogD-4uqzA:
22.60
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)
 1.12A 4fogD-4xscA:
36.4		 4fogD-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)
 0.73A 4fogD-4xscA:
36.4		 4fogD-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
LEU A 209
GLY A 210
TYR A 246
 1PE  A1002 (-4.6A)
1PE  A1002 (-4.7A)
BVP  A1001 ( 4.5A)
None
BVP  A1001 (-3.4A)
BVP  A1001 (-4.5A)
 0.71A 4fogD-4xscA:
36.4		 4fogD-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.
4zrs ESTERASE

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 LEU A 147
ASP A 123
GLY A 120
PHE A 117
ALA A 126
 None
 1.19A 4fogD-4zrsA:
undetectable		 4fogD-4zrsA:
23.48
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.
5bn4 V-TYPE ATP SYNTHASE
ALPHA CHAIN

(Nanoarchaeum
equitans) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N)
PF16886
(ATP-synt_ab_Xtn) 		5 ILE A 184
LEU A  75
ASP A  81
LEU A  83
GLY A  82
 None
 1.18A 4fogD-5bn4A:
undetectable		 4fogD-5bn4A:
17.54
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
ILE A 102
ASP A 212
LEU A 215
GLY A 216
TYR A 252
 None
DTT  A 402 ( 4.3A)
None
None
UMP  A 401 (-3.5A)
UMP  A 401 (-4.6A)
 1.03A 4fogD-5by6A:
36.1		 4fogD-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.
5eo9 CG32791, ISOFORM A

(Drosophila
melanogaster) 		PF07679
(I-set)
PF13927
(Ig_3) 		5 ILE B 135
LEU B 109
GLY B 120
PHE B 137
ALA B  82
 None
None
None
NAG  B 901 ( 4.6A)
None
 1.03A 4fogD-5eo9B:
undetectable		 4fogD-5eo9B:
20.59
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.
5fw4 DYE-DECOLORIZING
PEROXIDASE TFU_3078

(Thermobifida
fusca) 		PF04261
(Dyp_perox) 		5 ILE A  46
LEU A  75
LEU A 157
GLY A 150
ALA A 159
 None
 1.25A 4fogD-5fw4A:
undetectable		 4fogD-5fw4A:
21.53
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
ASP A 242
GLY A 246
TYR A 282
 D16  A 401 ( 4.0A)
None
D16  A 401 ( 4.0A)
D16  A 401 ( 3.2A)
UMP  A 402 (-4.5A)
 0.88A 4fogD-5h3aA:
36.0		 4fogD-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)
 1.03A 4fogD-5h3aA:
36.0		 4fogD-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
LEU A 216
GLY A 246
TYR A 282
 D16  A 401 ( 4.0A)
None
None
D16  A 401 ( 3.2A)
UMP  A 402 (-4.5A)
 0.81A 4fogD-5h3aA:
36.0		 4fogD-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 ILE A  80
ASP A 220
LEU A 223
GLY A 224
PHE A 227
TYR A 260
 None
 0.91A 4fogD-5j7wA:
36.3		 4fogD-5j7wA:
52.38
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 LYS A  49
ASP A 220
LEU A 223
GLY A 224
TYR A 260
 None
 0.28A 4fogD-5j7wA:
36.3		 4fogD-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.
5k1r BURKHOLDERIA
PSEUDOMALLEI
SPHINGOSINE-1-PHOSPH
ATE LYASE BPSS2021

(Burkholderia
pseudomallei) 		PF00282
(Pyridoxal_deC) 		5 ILE A 213
LEU A 219
ASP A 233
GLY A 234
ALA A 158
 None
None
PLP  A 501 (-2.6A)
None
None
 1.08A 4fogD-5k1rA:
undetectable		 4fogD-5k1rA:
19.11
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 153
LEU A 159
LEU A 137
GLY A  35
PHE A 168
 None
 1.25A 4fogD-5khpA:
undetectable		 4fogD-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.
5ldn HEXON PROTEIN,HEXON
CAPSID

(Human
mastadenovirus
C) 		PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C) 		5 LYS A 564
ILE A 704
LEU A 600
GLY A 334
ALA A 327
 None
 1.30A 4fogD-5ldnA:
undetectable		 4fogD-5ldnA:
15.19
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.
5m04 GTPASE OBGE/CGTA

(Escherichia
coli) 		PF01018
(GTP1_OBG)
PF01926
(MMR_HSR1) 		5 ILE A 214
LEU A 227
GLY A 228
PHE A 231
ALA A 221
 None
 1.18A 4fogD-5m04A:
undetectable		 4fogD-5m04A:
21.60
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ILE A 402
LEU A 486
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
ALA A 609
 CB3  A 703 (-3.4A)
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)
CB3  A 703 (-3.8A)
 0.83A 4fogD-5t0lA:
38.8		 4fogD-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) 		9 LYS A 371
ILE A 402
TRP A 403
LEU A 486
ASP A 513
LEU A 516
GLY A 517
TYR A 553
ALA A 609
 CB3  A 703 (-3.2A)
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)
CB3  A 703 (-3.8A)
 0.58A 4fogD-5t0lA:
38.8		 4fogD-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.
5uao TRYPTOPHANE-5-HALOGE
NASE

(Microbispora
sp. ATCC
PTA-5024) 		PF04820
(Trp_halogenase) 		5 LEU A 129
ASP A 121
LEU A 144
GLY A 125
ALA A 146
 None
 1.27A 4fogD-5uaoA:
undetectable		 4fogD-5uaoA:
19.67
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.
5ubm COMPLEMENT C1S
SUBCOMPONENT
GIGASTASIN

(Homo sapiens;
Haementeria
ghilianii) 		no annotation
no annotation 		5 LEU A 664
GLY A 656
PHE I  62
TYR A 665
ALA A 619
 None
 0.94A 4fogD-5ubmA:
undetectable		 4fogD-5ubmA:
23.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wvg CHITINASE

(Ostrinia
furnacalis) 		no annotation 5 LEU A 532
LEU A 642
GLY A 641
PHE A 639
ALA A 685
 None
 0.98A 4fogD-5wvgA:
undetectable		 4fogD-5wvgA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xog DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA

(Komagataella
phaffii) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		5 ILE B 910
ASP B 896
LEU B 898
GLY B 897
ALA B 900
 None
 1.26A 4fogD-5xogB:
undetectable		 4fogD-5xogB:
12.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6auj THYMIDYLATE SYNTHASE

(Elizabethkingia
anophelis) 		PF00303
(Thymidylat_synt) 		5 ILE A  87
TRP A  88
TRP A  91
LEU A 151
GLY A 181
 PGE  A 301 ( 4.2A)
PGE  A 301 (-3.5A)
PGE  A 301 ( 4.5A)
None
PGE  A 301 ( 4.0A)
 0.94A 4fogD-6aujA:
35.5		 4fogD-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.
6cdz THYMIDYLATE SYNTHASE

(Escherichia
coli) 		no annotation 8 ILE A  79
TRP A  80
TRP A  83
ASP A 169
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 CB3  A 701 (-3.9A)
None
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)
 1.02A 4fogD-6cdzA:
40.4		 4fogD-6cdzA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cdz THYMIDYLATE SYNTHASE

(Escherichia
coli) 		no annotation 8 LYS A  48
ILE A  79
TRP A  80
TRP A  83
ASP A 169
LEU A 172
GLY A 173
TYR A 209
 CB3  A 701 ( 4.8A)
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)
 0.85A 4fogD-6cdzA:
40.4		 4fogD-6cdzA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cdz THYMIDYLATE SYNTHASE

(Escherichia
coli) 		no annotation 8 LYS A  48
TRP A  80
TRP A  83
LEU A 143
ASP A 169
LEU A 172
GLY A 173
TYR A 209
 CB3  A 701 ( 4.8A)
None
None
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 4.2A)
 0.87A 4fogD-6cdzA:
40.4		 4fogD-6cdzA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cdz THYMIDYLATE SYNTHASE

(Escherichia
coli) 		no annotation 6 LYS A  48
TRP A  83
LEU A 143
ASP A 169
GLY A 173
ALA A 263
 CB3  A 701 ( 4.8A)
None
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.4A)
 1.49A 4fogD-6cdzA:
40.4		 4fogD-6cdzA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6d6d -

(-) 		no annotation 5 ILE A  52
LEU A 130
LEU A  39
GLY A 126
ALA A 158
 None
None
None
FY7  A 300 (-3.6A)
None
 1.21A 4fogD-6d6dA:
undetectable		 4fogD-6d6dA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eti ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
2

(Homo sapiens) 		no annotation 5 ILE A 239
ASP A 254
LEU A  75
GLY A  74
ALA A 270
 None
 1.25A 4fogD-6etiA:
undetectable		 4fogD-6etiA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gun -

(-) 		no annotation 5 LEU A 288
GLY A 157
PHE A 160
TYR A  98
ALA A  60
 None
 1.19A 4fogD-6gunA:
undetectable		 4fogD-6gunA:
undetectable