SIMILAR PATTERNS OF AMINO ACIDS FOR 4FOG_C_C2FC302

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) 		5 ILE A  86
ASP A 202
GLY A 206
PHE A 209
TYR A 242
 CB3  A 768 (-3.6A)
CB3  A 768 ( 3.6A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.90A 4fogC-1ci7A:
37.0		 4fogC-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
LEU A 170
ASP A 202
GLY A 206
TYR A 242
 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)
 0.71A 4fogC-1ci7A:
37.0		 4fogC-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.
1gz5 ALPHA-TREHALOSE-PHOS
PHATE SYNTHASE

(Escherichia
coli) 		PF00982
(Glyco_transf_20) 		5 HIS A 129
ILE A 225
LEU A 394
ASP A 361
GLY A 362
 None
IMD  A 902 ( 4.3A)
None
UDP  A 900 ( 4.5A)
None
 1.04A 4fogC-1gz5A:
0.0		 4fogC-1gz5A:
21.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvy THYMIDYLATE SYNTHASE

(Homo sapiens) 		PF00303
(Thymidylat_synt) 		6 ILE A 108
LEU A 192
ASP A 218
GLY A 222
PHE A 225
TYR A 258
 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)
 0.93A 4fogC-1hvyA:
38.7		 4fogC-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) 		6 ILE A 108
TRP A 109
LEU A 192
ASP A 218
GLY A 222
TYR A 258
 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)
 0.61A 4fogC-1hvyA:
38.7		 4fogC-1hvyA:
50.00
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.
1hxj BETA-GLUCOSIDASE

(Zea mays) 		PF00232
(Glyco_hydro_1) 		5 SER A  30
ILE A  34
LEU A  81
GLY A 469
VAL A 473
 None
 1.16A 4fogC-1hxjA:
0.0		 4fogC-1hxjA:
19.09
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
LEU C 487
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)
 1.05A 4fogC-1j3jC:
35.6		 4fogC-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 487
GLY C 517
TYR C 553
 None
None
None
UMP  C 611 (-3.5A)
UMP  C 611 (-4.9A)
 1.06A 4fogC-1j3jC:
35.6		 4fogC-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 LEU C 487
ASP C 513
GLY C 517
PHE C 520
TYR C 553
 None
UMP  C 611 (-4.9A)
UMP  C 611 (-3.5A)
None
UMP  C 611 (-4.9A)
 0.89A 4fogC-1j3jC:
35.6		 4fogC-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.
1obf GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE

(Achromobacter
xylosoxidans) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 SER O 122
ILE O  12
ASP O 315
GLY O 319
PHE O 320
 None
 1.35A 4fogC-1obfO:
0.0		 4fogC-1obfO:
20.98
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.
1p15 PROTEIN-TYROSINE
PHOSPHATASE ALPHA

(Mus musculus) 		PF00102
(Y_phosphatase) 		5 HIS A 604
ILE A 606
TRP A 610
GLY A 600
VAL A 581
 None
 1.13A 4fogC-1p15A:
0.0		 4fogC-1p15A:
23.32
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.
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)
 1.21A 4fogC-1s1fA:
0.0		 4fogC-1s1fA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u10 PENICILLIN-INSENSITI
VE MUREIN
ENDOPEPTIDASE

(Escherichia
coli) 		PF03411
(Peptidase_M74) 		5 ILE A  78
LEU A 163
ASP A 120
GLY A  96
VAL A 212
 None
None
ZN  A 400 (-2.2A)
None
None
 1.33A 4fogC-1u10A:
0.0		 4fogC-1u10A:
20.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2aaz THYMIDYLATE SYNTHASE

(Cryptococcus
neoformans) 		PF00303
(Thymidylat_synt) 		7 ILE A 100
TRP A 101
LEU A 184
ASP A 219
GLY A 223
PHE A 226
TYR A 259
 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)
 0.42A 4fogC-2aazA:
undetectable		 4fogC-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.
2fk5 FUCULOSE-1-PHOSPHATE
ALDOLASE

(Thermus
thermophilus) 		PF00596
(Aldolase_II) 		5 SER A  71
ILE A  39
LEU A   5
GLY A  36
PHE A  37
 None
 1.31A 4fogC-2fk5A:
undetectable		 4fogC-2fk5A:
23.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gp6 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Mycobacterium
tuberculosis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 SER A 356
ILE A 412
GLY A 415
PHE A 414
TYR A  12
 None
 1.35A 4fogC-2gp6A:
undetectable		 4fogC-2gp6A:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ILE A 316
TRP A 317
LEU A 400
ASP A 426
GLY A 430
PHE A 433
TYR A 466
 None
None
None
None
DU  A 611 (-3.5A)
None
DU  A 611 (-4.6A)
 1.08A 4fogC-2h2qA:
34.5		 4fogC-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.
2m1m AUXIN-INDUCED
PROTEIN IAA4

(Pisum sativum) 		PF02309
(AUX_IAA) 		5 ILE A  91
LEU A 100
GLY A  57
TYR A  49
VAL A  74
 None
 1.34A 4fogC-2m1mA:
undetectable		 4fogC-2m1mA:
16.67
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ILE A 315
TRP A 316
LEU A 399
ASP A 426
GLY A 430
PHE A 433
TYR A 466
 CB3  A 604 ( 3.7A)
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)
 0.43A 4fogC-2oipA:
38.3		 4fogC-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.
2qm0 BES

(Bacillus cereus) 		PF00756
(Esterase) 		5 SER A  34
ILE A  81
LEU A 153
GLY A  53
PHE A  57
 None
 1.28A 4fogC-2qm0A:
undetectable		 4fogC-2qm0A:
23.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2tdd THYMIDYLATE SYNTHASE

(Lactobacillus
casei) 		PF00303
(Thymidylat_synt) 		6 ILE A  81
TRP A  82
LEU A 195
ASP A 221
GLY A 225
PHE A 228
 THF  A 568 ( 4.8A)
THF  A 568 ( 4.6A)
THF  A 568 (-4.6A)
UFP  A 529 (-4.7A)
UFP  A 529 ( 4.0A)
THF  A 568 (-4.8A)
 0.86A 4fogC-2tddA:
35.8		 4fogC-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 ILE A  81
TRP A  82
TRP A  85
LEU A 195
GLY A 225
PHE A 228
 THF  A 568 ( 4.8A)
THF  A 568 ( 4.6A)
THF  A 568 (-3.1A)
THF  A 568 (-4.6A)
UFP  A 529 ( 4.0A)
THF  A 568 (-4.8A)
 1.05A 4fogC-2tddA:
35.8		 4fogC-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) 		5 LEU A 195
ASP A 221
GLY A 225
PHE A 228
TYR A 261
 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)
 0.65A 4fogC-2tddA:
35.8		 4fogC-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.
2wu5 SUCCINATE
DEHYDROGENASE
FLAVOPROTEIN SUBUNIT

(Escherichia
coli) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 SER A 292
LEU A 400
ASP A  77
GLY A 538
TYR A  78
 None
 1.22A 4fogC-2wu5A:
undetectable		 4fogC-2wu5A:
18.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.16A 4fogC-2wyhA:
undetectable		 4fogC-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.
2x3e 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Pseudomonas
aeruginosa) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 HIS A 249
SER A 284
ILE A 285
GLY A 117
VAL A 318
 None
 1.23A 4fogC-2x3eA:
undetectable		 4fogC-2x3eA:
23.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x3k ACSD

(Dickeya
chrysanthemi) 		PF04183
(IucA_IucC)
PF06276
(FhuF) 		5 ILE A 502
LEU A 336
GLY A 438
PHE A 434
VAL A 468
 None
 1.24A 4fogC-2x3kA:
undetectable		 4fogC-2x3kA:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xf8 D-ERYTHROSE-4-PHOSPH
ATE DEHYDROGENASE

(Escherichia
coli) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 SER A 119
ILE A  11
ASP A 312
GLY A 316
PHE A 317
 3CD  A 600 (-3.4A)
3CD  A 600 (-4.2A)
None
None
3CD  A 600 (-3.7A)
 1.25A 4fogC-2xf8A:
undetectable		 4fogC-2xf8A:
22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yvp MUTT/NUDIX FAMILY
PROTEIN

(Thermus
thermophilus) 		PF00293
(NUDIX) 		5 HIS A 120
SER A 107
LEU A 155
ASP A 162
VAL A  72
 None
 1.33A 4fogC-2yvpA:
undetectable		 4fogC-2yvpA:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zzg ALANYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF01411
(tRNA-synt_2c)
PF07973
(tRNA_SAD) 		5 HIS A 721
ILE A 709
TRP A 712
ASP A 672
GLY A 726
 ZN  A 901 ( 4.7A)
None
None
None
None
 1.05A 4fogC-2zzgA:
undetectable		 4fogC-2zzgA:
16.22
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.
3bh2 ACETOACETATE
DECARBOXYLASE

(Clostridium
acetobutylicum) 		PF06314
(ADC) 		5 SER A 224
ILE A  34
LEU A 213
GLY A 131
PHE A  32
 None
 1.36A 4fogC-3bh2A:
undetectable		 4fogC-3bh2A:
21.35
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.
3doc GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE

(Brucella
abortus) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 SER A 122
ILE A  13
ASP A 315
GLY A 319
PHE A 320
 NAD  A 901 (-3.3A)
NAD  A 901 (-3.4A)
None
None
NAD  A 901 (-3.6A)
 1.27A 4fogC-3docA:
undetectable		 4fogC-3docA:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eat PYOVERDINE
BIOSYNTHESIS PROTEIN
PVCB

(Pseudomonas
aeruginosa) 		PF02668
(TauD) 		5 HIS X 239
SER X 142
GLY X  26
PHE X  25
VAL X 250
 None
 1.26A 4fogC-3eatX:
undetectable		 4fogC-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.
3ez6 PLASMID PARTITION
PROTEIN A

(Escherichia
coli) 		PF13614
(AAA_31) 		5 SER A 125
ILE A 113
LEU A 291
GLY A 312
PHE A 313
 None
 1.29A 4fogC-3ez6A:
undetectable		 4fogC-3ez6A:
23.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g5j PUTATIVE ATP/GTP
BINDING PROTEIN

(Clostridioides
difficile) 		PF00581
(Rhodanese) 		5 SER A 102
ILE A 103
LEU A  82
ASP A  19
TYR A  26
 PGE  A 302 ( 3.9A)
None
None
None
None
 1.09A 4fogC-3g5jA:
undetectable		 4fogC-3g5jA:
18.70
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.
3gnq GLYCERALDEHYDE-3-PHO
SPHATE
DEHYDROGENASE, TYPE
I

(Burkholderia
pseudomallei) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 SER A 122
ILE A  12
ASP A 315
GLY A 319
PHE A 320
 None
 1.34A 4fogC-3gnqA:
undetectable		 4fogC-3gnqA:
20.00
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.
3h15 PROTEIN MCM10
HOMOLOG

(Xenopus laevis) 		PF09329
(zf-primase) 		5 HIS A 333
ILE A 342
LEU A 314
ASP A 374
GLY A 373
 None
 1.26A 4fogC-3h15A:
undetectable		 4fogC-3h15A:
18.53
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
LEU A 143
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 None
 1.06A 4fogC-3ix6A:
35.5		 4fogC-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
LEU A 143
ASP A 169
GLY A 173
TYR A 209
 None
 1.12A 4fogC-3ix6A:
35.5		 4fogC-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
 1.23A 4fogC-3ixwA:
undetectable		 4fogC-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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 SER A 281
ILE A 306
TRP A 307
LEU A 390
ASP A 416
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
 0.58A 4fogC-3kjrA:
38.2		 4fogC-3kjrA:
28.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l0d GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE

(Bartonella
henselae) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 SER A 122
ILE A  13
ASP A 315
GLY A 319
PHE A 320
 NAD  A 336 (-3.4A)
NAD  A 336 (-3.8A)
None
None
NAD  A 336 (-3.6A)
 1.26A 4fogC-3l0dA:
undetectable		 4fogC-3l0dA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lpp SUCRASE-ISOMALTASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		5 SER A 266
LEU A 293
GLY A 560
PHE A 558
VAL A 144
 None
 1.10A 4fogC-3lppA:
undetectable		 4fogC-3lppA:
14.43
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.
3men ACETYLPOLYAMINE
AMINOHYDROLASE

(Burkholderia
pseudomallei) 		PF00850
(Hist_deacetyl) 		5 HIS A 321
SER A 324
LEU A 276
ASP A 192
GLY A 318
 None
None
None
ZN  A 400 (-2.3A)
SO4  A 401 ( 3.7A)
 1.30A 4fogC-3menA:
undetectable		 4fogC-3menA:
21.53
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.
3n05 NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Streptomyces
avermitilis) 		PF00795
(CN_hydrolase)
PF02540
(NAD_synthase) 		5 ILE A 232
LEU A 181
ASP A 235
GLY A 238
VAL A 241
 None
 1.26A 4fogC-3n05A:
undetectable		 4fogC-3n05A:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4fogC-3op7A:
undetectable		 4fogC-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.
3r0z D-SERINE DEHYDRATASE

(Salmonella
enterica) 		PF00291
(PALP) 		5 SER A 114
ILE A 115
TRP A 420
LEU A 289
GLY A 245
 SO4  A 451 ( 4.1A)
None
None
None
None
 1.30A 4fogC-3r0zA:
undetectable		 4fogC-3r0zA:
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.
3r5b TETRAHYDRODIPICOLINA
TE
N-SUCCINYLETRANSFERA
SE

(Pseudomonas
aeruginosa) 		PF14602
(Hexapep_2)
PF14789
(THDPS_M)
PF14790
(THDPS_N) 		5 ILE A 128
LEU A 108
GLY A 193
PHE A 210
VAL A 123
 None
 1.19A 4fogC-3r5bA:
undetectable		 4fogC-3r5bA:
22.63
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.
3ss7 D-SERINE DEHYDRATASE

(Escherichia
coli) 		PF00291
(PALP) 		5 SER X 116
ILE X 117
TRP X 422
LEU X 291
GLY X 247
 PLP  X 502 ( 4.7A)
PLP  X 502 ( 4.9A)
None
None
None
 1.36A 4fogC-3ss7X:
undetectable		 4fogC-3ss7X:
21.22
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.
3tad LIPRIN-BETA-1

(Mus musculus) 		PF00536
(SAM_1)
PF07647
(SAM_2) 		5 ILE C 735
LEU C 687
ASP C 705
GLY C 706
PHE C 743
 None
 1.33A 4fogC-3tadC:
undetectable		 4fogC-3tadC:
22.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ILE A 403
LEU A 487
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)
 1.05A 4fogC-3um6A:
35.7		 4fogC-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 ILE A 403
TRP A 404
LEU A 487
GLY A 517
TYR A 553
 None
None
None
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 1.05A 4fogC-3um6A:
35.7		 4fogC-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 LEU A 487
ASP A 513
GLY A 517
PHE A 520
TYR A 553
 None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
None
UMP  A 611 (-4.5A)
 0.85A 4fogC-3um6A:
35.7		 4fogC-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) 		5 SER A  54
ASP A 217
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 0.98A 4fogC-3v8hA:
34.4		 4fogC-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
LEU A 189
ASP A 217
GLY A 221
TYR A 257
 None
CIT  A 400 (-4.3A)
None
None
CIT  A 400 (-4.5A)
 0.82A 4fogC-3v8hA:
34.4		 4fogC-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
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
CIT  A 400 (-4.5A)
 0.95A 4fogC-3v8hA:
34.4		 4fogC-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
GLY A 221
TYR A 257
 None
None
CIT  A 400 (-4.3A)
None
CIT  A 400 (-4.5A)
 0.73A 4fogC-3v8hA:
34.4		 4fogC-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.
3zph CHALCONE ISOMERASE

(Eubacterium
ramulus) 		no annotation 5 HIS A 256
ILE A 136
LEU A 140
ASP A 214
GLY A 168
 None
 1.26A 4fogC-3zphA:
undetectable		 4fogC-3zphA:
20.41
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)
 1.20A 4fogC-4dq1A:
36.1		 4fogC-4dq1A:
49.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e0q COP9 SIGNALOSOME
COMPLEX SUBUNIT 6

(Drosophila
melanogaster) 		PF01398
(JAB) 		5 ILE A  86
LEU A 167
GLY A  83
PHE A 100
VAL A  60
 None
 1.31A 4fogC-4e0qA:
undetectable		 4fogC-4e0qA:
20.42
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
SER A  54
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)
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)
 0.34A 4fogC-4fogA:
43.5		 4fogC-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) 		7 HIS A  54
LEU A 146
ASP A 172
GLY A 176
PHE A 179
TYR A 212
VAL A 264
 None
None
None
UMP  A 301 (-3.6A)
None
UMP  A 301 (-4.5A)
None
 1.10A 4fogC-4h0uA:
40.5		 4fogC-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
ILE A  82
TRP A  83
LEU A 146
GLY A 176
TYR A 212
 None
None
None
None
None
UMP  A 301 (-3.6A)
UMP  A 301 (-4.5A)
 0.88A 4fogC-4h0uA:
40.5		 4fogC-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
ILE A  82
TRP A  83
TRP A  86
LEU A 146
GLY A 176
 None
None
None
None
None
None
UMP  A 301 (-3.6A)
 0.76A 4fogC-4h0uA:
40.5		 4fogC-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
LEU A 146
ASP A 172
GLY A 176
TYR A 212
 None
None
None
None
UMP  A 301 (-3.6A)
UMP  A 301 (-4.5A)
 0.89A 4fogC-4h0uA:
40.5		 4fogC-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
TRP A  83
LEU A 146
GLY A 176
PHE A 179
TYR A 212
 None
None
None
UMP  A 301 (-3.6A)
None
UMP  A 301 (-4.5A)
 1.02A 4fogC-4h0uA:
40.5		 4fogC-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
TRP A  83
TRP A  86
LEU A 146
GLY A 176
PHE A 179
 None
None
None
None
UMP  A 301 (-3.6A)
None
 0.96A 4fogC-4h0uA:
40.5		 4fogC-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.
4iws PA0254

(Pseudomonas
aeruginosa) 		PF01977
(UbiD) 		5 SER A 165
ILE A 192
LEU A 199
ASP A 160
GLY A 161
 None
 1.22A 4fogC-4iwsA:
undetectable		 4fogC-4iwsA:
20.58
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.
4jc2 ASFP504

(Alcyonium) 		PF01353
(GFP) 		5 ILE A  56
ASP A 121
GLY A 122
PHE A 125
VAL A 103
 None
 1.35A 4fogC-4jc2A:
undetectable		 4fogC-4jc2A:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m0d N-ACETYLMURAMIC ACID
6-PHOSPHATE ETHERASE

(Haemophilus
influenzae) 		PF01380
(SIS) 		5 SER A 218
ILE A  61
ASP A 139
GLY A  69
PHE A  65
 None
 1.16A 4fogC-4m0dA:
undetectable		 4fogC-4m0dA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qg5 PUTATIVE
PHOSPHOGLUCOMUTASE

(Leishmania
major) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 HIS A 406
SER A 404
ASP A 328
PHE A 333
VAL A 422
 None
 1.22A 4fogC-4qg5A:
undetectable		 4fogC-4qg5A:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.33A 4fogC-4qtuB:
undetectable		 4fogC-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) 		5 ILE A  96
LEU A 180
GLY A 210
PHE A 213
TYR A 246
 1PE  A1002 (-4.6A)
BVP  A1001 ( 4.5A)
BVP  A1001 (-3.4A)
1PE  A1002 (-3.8A)
BVP  A1001 (-4.5A)
 1.12A 4fogC-4xscA:
36.4		 4fogC-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
ASP A 206
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)
 0.78A 4fogC-4xscA:
36.4		 4fogC-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.
5a31 ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF12859
(ANAPC1) 		5 SER A1295
ILE A1277
LEU A1319
GLY A1303
TYR A1375
 None
 1.27A 4fogC-5a31A:
undetectable		 4fogC-5a31A:
11.26
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.
5bym SUPPRESSOR PROTEIN
MPT5

(Saccharomyces
cerevisiae) 		PF00806
(PUF) 		5 SER A 206
ILE A 205
ASP A 221
GLY A 224
PHE A 227
 None
 1.28A 4fogC-5bymA:
undetectable		 4fogC-5bymA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c2m PREDICTED PROTEIN

(Nematostella
vectensis) 		PF14517
(Tachylectin) 		5 HIS A 168
LEU A 139
ASP A 118
GLY A 146
PHE A 148
 None
 1.12A 4fogC-5c2mA:
undetectable		 4fogC-5c2mA:
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.
5eow 6-HYDROXYNICOTINATE
3-MONOOXYGENASE

(Pseudomonas
putida) 		PF01494
(FAD_binding_3) 		5 TRP A 356
LEU A 357
GLY A  49
TYR A  99
VAL A 366
 None
 1.23A 4fogC-5eowA:
undetectable		 4fogC-5eowA:
20.24
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.
5fgn LIPOOLIGOSACCHARIDE
PHOSPHOETHANOLAMINE
TRANSFERASE A

(Neisseria
meningitidis) 		PF00884
(Sulfatase)
PF08019
(DUF1705) 		5 HIS A 378
ILE A 376
ASP A 309
PHE A 288
VAL A 334
 None
 1.36A 4fogC-5fgnA:
undetectable		 4fogC-5fgnA:
17.60
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) 		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)
 1.10A 4fogC-5h3aA:
35.9		 4fogC-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)
 0.70A 4fogC-5h3aA:
35.9		 4fogC-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) 		5 ILE A  80
ASP A 220
GLY A 224
PHE A 227
TYR A 260
 None
 0.98A 4fogC-5j7wA:
36.2		 4fogC-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.
5jzd ISOCHORISMATE
SYNTHASE ENTC

(Escherichia
coli) 		PF00425
(Chorismate_bind) 		5 SER A  86
ILE A  78
LEU A 200
ASP A  47
GLY A  46
 None
 1.24A 4fogC-5jzdA:
undetectable		 4fogC-5jzdA:
21.32
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.
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
 1.35A 4fogC-5lj8A:
undetectable		 4fogC-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.
5ljo OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMA

(Escherichia
coli) 		PF01103
(Bac_surface_Ag)
PF07244
(POTRA) 		5 HIS A 280
ILE A 284
LEU A 337
GLY A 275
VAL A 322
 None
 1.14A 4fogC-5ljoA:
undetectable		 4fogC-5ljoA:
16.06
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.
5mxp -

(-) 		no annotation 5 SER A  21
ILE A  66
LEU A  37
ASP A  88
GLY A  89
 NA  A 403 (-2.6A)
None
None
None
None
 1.31A 4fogC-5mxpA:
undetectable		 4fogC-5mxpA:
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.
5n9j MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 14

(Schizosaccharomyces
pombe) 		PF08638
(Med14) 		5 HIS A 329
TRP A 362
LEU A 393
ASP A 365
GLY A 325
 None
 1.34A 4fogC-5n9jA:
undetectable		 4fogC-5n9jA:
17.68
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ILE A 402
LEU A 486
ASP A 513
GLY A 517
PHE A 520
TYR A 553
 CB3  A 703 (-3.4A)
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)
 0.98A 4fogC-5t0lA:
38.3		 4fogC-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) 		6 ILE A 402
TRP A 403
LEU A 486
ASP A 513
GLY A 517
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)
UMP  A 701 (-4.4A)
 0.62A 4fogC-5t0lA:
38.3		 4fogC-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.
5v0t ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
(UDP-FORMING)

(Paraburkholderia
xenovorans) 		PF00982
(Glyco_transf_20) 		5 HIS A 139
ILE A 239
LEU A 409
ASP A 376
GLY A 377
 None
None
None
UDP  A 501 ( 4.5A)
None
 0.99A 4fogC-5v0tA:
undetectable		 4fogC-5v0tA:
20.56
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.
5vj4 UNCHARACTERIZED
PROTEIN

(Borrelia
turicatae) 		no annotation 5 ILE A 222
LEU A 230
GLY A 267
PHE A 270
VAL A 284
 None
 1.33A 4fogC-5vj4A:
undetectable		 4fogC-5vj4A:
21.61
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.
5x8t 50S RIBOSOMAL
PROTEIN L14,
CHLOROPLASTIC

(Spinacia
oleracea) 		PF00238
(Ribosomal_L14) 		5 ILE L  87
LEU L   8
ASP L  37
GLY L  36
PHE L 110
 None
 1.25A 4fogC-5x8tL:
undetectable		 4fogC-5x8tL:
17.87
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
ILE A  87
TRP A  88
TRP A  91
LEU A 151
GLY A 181
 None
None
PGE  A 301 ( 4.2A)
PGE  A 301 (-3.5A)
PGE  A 301 ( 4.5A)
None
PGE  A 301 ( 4.0A)
 0.83A 4fogC-6aujA:
35.3		 4fogC-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)
 1.19A 4fogC-6aujA:
35.3		 4fogC-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
TRP A  91
GLY A 181
PHE A 184
TYR A 217
 None
None
PGE  A 301 ( 4.5A)
PGE  A 301 ( 4.0A)
PGE  A 301 (-3.7A)
None
 1.30A 4fogC-6aujA:
35.3		 4fogC-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.
6b4j NUCLEOPORIN GLE1

(Homo sapiens) 		no annotation 5 HIS B 449
ILE B 509
LEU B 576
PHE B 445
VAL B 430
 None
 1.19A 4fogC-6b4jB:
undetectable		 4fogC-6b4jB:
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 SER A  54
ILE A  79
ASP A 169
GLY A 173
PHE A 176
VAL A 262
 None
CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
None
 1.23A 4fogC-6cdzA:
40.8		 4fogC-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 SER A  54
ILE A  79
TRP A  80
TRP A  83
LEU A 143
ASP A 169
GLY A 173
TYR A 209
 None
CB3  A 701 (-3.9A)
None
None
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 4.2A)
 0.86A 4fogC-6cdzA:
40.8		 4fogC-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 7 SER A  54
ILE A  79
TRP A  83
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 None
CB3  A 701 (-3.9A)
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 1.04A 4fogC-6cdzA:
40.8		 4fogC-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.
6fay ODZ3 PROTEIN

(Mus musculus) 		no annotation 5 HIS A2355
ILE A2366
GLY A2369
PHE A2368
TYR A2266
 None
 1.16A 4fogC-6fayA:
undetectable		 4fogC-6fayA:
undetectable