SIMILAR PATTERNS OF AMINO ACIDS FOR 4FOG_A_C2FA302_0

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) 		6 ILE A  86
LEU A 170
ASP A 202
GLY A 206
PHE A 209
TYR A 242
 CB3  A 768 (-3.6A)
UMP  A 767 (-4.7A)
CB3  A 768 ( 3.6A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.83A 4fogA-1ci7A:
36.3		 4fogA-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)
 0.47A 4fogA-1ci7A:
36.3		 4fogA-1ci7A:
45.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvy THYMIDYLATE SYNTHASE

(Homo sapiens) 		PF00303
(Thymidylat_synt) 		7 ILE A 108
TRP A 109
LEU A 192
ASP A 218
GLY A 222
PHE A 225
TYR A 258
 D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
None
D16  A 414 ( 3.6A)
D16  A 414 (-3.3A)
D16  A 414 (-3.6A)
UMP  A 314 ( 4.4A)
 0.79A 4fogA-1hvyA:
38.0		 4fogA-1hvyA:
50.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvy THYMIDYLATE SYNTHASE

(Homo sapiens) 		PF00303
(Thymidylat_synt) 		7 LYS A  77
ILE A 108
TRP A 109
LEU A 192
ASP A 218
GLY A 222
TYR A 258
 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)
 0.47A 4fogA-1hvyA:
38.0		 4fogA-1hvyA:
50.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1j3j BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00303
(Thymidylat_synt) 		6 ILE C 403
TRP C 404
LEU C 487
ASP C 513
GLY C 517
TYR C 553
 None
None
None
UMP  C 611 (-4.9A)
UMP  C 611 (-3.5A)
UMP  C 611 (-4.9A)
 0.88A 4fogA-1j3jC:
35.6		 4fogA-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
GLY C 517
PHE C 520
TYR C 553
 None
None
UMP  C 611 (-4.9A)
UMP  C 611 (-3.5A)
None
UMP  C 611 (-4.9A)
 0.86A 4fogA-1j3jC:
35.6		 4fogA-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.
1jik TYROSYL-TRNA
SYNTHETASE

(Staphylococcus
aureus) 		PF00579
(tRNA-synt_1b) 		5 HIS A 108
SER A 104
TRP A 127
LEU A 128
GLY A  38
 None
None
None
None
545  A 421 (-4.2A)
 1.28A 4fogA-1jikA:
0.2		 4fogA-1jikA:
20.95
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.
1lg7 VSV MATRIX PROTEIN

(Vesicular
stomatitis
virus) 		PF06326
(Vesiculo_matrix) 		5 SER A 113
TRP A 190
LEU A 141
GLY A 209
PHE A 208
 None
 1.20A 4fogA-1lg7A:
0.0		 4fogA-1lg7A:
22.02
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 4fogA-1obfO:
0.0		 4fogA-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.
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 4fogA-1s1fA:
0.0		 4fogA-1s1fA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w5t ORC2

(Aeropyrum
pernix) 		PF09079
(Cdc6_C)
PF13401
(AAA_22) 		5 HIS A 211
SER A  57
ILE A  63
ASP A 145
TYR A  91
 None
None
ANP  A 700 (-4.5A)
MG  A 701 ( 4.1A)
None
 1.32A 4fogA-1w5tA:
0.3		 4fogA-1w5tA:
22.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2aaz THYMIDYLATE SYNTHASE

(Cryptococcus
neoformans) 		PF00303
(Thymidylat_synt) 		8 LYS A  69
ILE A 100
TRP A 101
LEU A 184
ASP A 219
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 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 0.47A 4fogA-2aazA:
undetectable		 4fogA-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
 1.22A 4fogA-2fk5A:
undetectable		 4fogA-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
 1.30A 4fogA-2gp6A:
undetectable		 4fogA-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)
 0.94A 4fogA-2h2qA:
34.4		 4fogA-2h2qA:
27.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 LYS A 285
ILE A 316
LEU A 400
ASP A 426
TYR A 466
 None
None
None
None
DU  A 611 (-4.6A)
 1.23A 4fogA-2h2qA:
34.4		 4fogA-2h2qA:
27.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 LYS A 284
ILE A 315
TRP A 316
LEU A 399
ASP A 426
GLY A 430
PHE A 433
TYR A 466
 CB3  A 604 ( 4.7A)
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)
 0.41A 4fogA-2oipA:
37.7		 4fogA-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
 1.19A 4fogA-2qm0A:
undetectable		 4fogA-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) 		7 LYS A  50
ILE A  81
LEU A 195
ASP A 221
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)
UFP  A 529 ( 4.0A)
THF  A 568 (-4.8A)
UFP  A 529 (-4.7A)
 0.70A 4fogA-2tddA:
35.3		 4fogA-2tddA:
51.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2tdd THYMIDYLATE SYNTHASE

(Lactobacillus
casei) 		PF00303
(Thymidylat_synt) 		7 LYS A  50
ILE A  81
TRP A  82
LEU A 195
ASP A 221
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)
UFP  A 529 ( 4.0A)
THF  A 568 (-4.8A)
 0.75A 4fogA-2tddA:
35.3		 4fogA-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.
2vk4 PYRUVATE
DECARBOXYLASE

(Kluyveromyces
lactis) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 SER A 296
ILE A 476
LEU A 540
GLY A 394
PHE A 393
 None
TPP  A 600 (-3.6A)
None
None
None
 1.28A 4fogA-2vk4A:
undetectable		 4fogA-2vk4A:
18.92
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
 1.12A 4fogA-2wyhA:
undetectable		 4fogA-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.
2x50 TRYPANOTHIONE
REDUCTASE

(Leishmania
infantum) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 SER A 178
ILE A 199
LEU A 227
GLY A 205
PHE A 203
 FAD  A1487 ( 4.0A)
NDP  A1488 (-3.9A)
None
None
None
 1.34A 4fogA-2x50A:
undetectable		 4fogA-2x50A:
20.20
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)
 1.27A 4fogA-2xf8A:
undetectable		 4fogA-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.
2xfs ORF12

(Streptomyces
clavuligerus) 		PF13354
(Beta-lactamase2) 		5 ILE A 420
TRP A 387
LEU A 362
GLY A 414
PHE A 416
 None
None
None
J01  A 600 ( 4.7A)
None
 1.28A 4fogA-2xfsA:
undetectable		 4fogA-2xfsA:
20.69
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
 1.04A 4fogA-2zzgA:
undetectable		 4fogA-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
 1.22A 4fogA-3bh2A:
undetectable		 4fogA-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)
 1.30A 4fogA-3docA:
undetectable		 4fogA-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.
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
 1.38A 4fogA-3ez6A:
undetectable		 4fogA-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
 1.06A 4fogA-3g5jA:
undetectable		 4fogA-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
 1.35A 4fogA-3gnqA:
undetectable		 4fogA-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.
3h5l PUTATIVE
BRANCHED-CHAIN AMINO
ACID ABC TRANSPORTER

(Ruegeria
pomeroyi) 		PF13458
(Peripla_BP_6) 		5 SER A 296
ILE A 411
GLY A 282
PHE A 288
TYR A 171
 None
 1.35A 4fogA-3h5lA:
undetectable		 4fogA-3h5lA:
22.27
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.
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)
 1.04A 4fogA-3ijpA:
undetectable		 4fogA-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) 		5 HIS A  51
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 None
 0.88A 4fogA-3ix6A:
35.7		 4fogA-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 LEU A 143
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 None
 0.69A 4fogA-3ix6A:
35.7		 4fogA-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
 0.86A 4fogA-3ix6A:
35.7		 4fogA-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
 1.33A 4fogA-3ixwA:
undetectable		 4fogA-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) 		9 LYS A 275
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
None
GOL  A 516 (-3.9A)
GOL  A 516 (-3.7A)
None
None
None
None
None
 0.58A 4fogA-3kjrA:
37.5		 4fogA-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)
 1.31A 4fogA-3l0dA:
undetectable		 4fogA-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.
3nek NITROGEN
REPRESSOR-LIKE
PROTEIN MJ0159

(Methanocaldococcus
jannaschii) 		PF01995
(DUF128) 		5 SER A 377
ILE A 394
ASP A 346
GLY A 345
PHE A 533
 None
 1.33A 4fogA-3nekA:
undetectable		 4fogA-3nekA:
18.41
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.
3nzu PHOSPHATIDYLINOSITOL
-4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT GAMMA
ISOFORM

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd) 		5 HIS A 962
ILE A 963
ASP A 836
GLY A 966
PHE A 965
 None
NZU  A   1 (-3.7A)
None
None
None
 1.36A 4fogA-3nzuA:
undetectable		 4fogA-3nzuA:
14.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3op7 AMINOTRANSFERASE
CLASS I AND II

(Streptococcus
suis) 		PF00155
(Aminotran_1_2) 		5 ILE A  83
TRP A 232
LEU A 219
ASP A 259
GLY A  63
 None
 1.27A 4fogA-3op7A:
undetectable		 4fogA-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.
3qdn PUTATIVE THIOREDOXIN
PROTEIN

(Salmonella
enterica) 		PF00085
(Thioredoxin)
PF14559
(TPR_19)
PF14561
(TPR_20) 		5 ILE A 102
LEU A 110
ASP A  91
GLY A  92
PHE A  93
 None
 1.40A 4fogA-3qdnA:
undetectable		 4fogA-3qdnA:
22.43
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.
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
 1.25A 4fogA-3r0zA:
undetectable		 4fogA-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.
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
 1.32A 4fogA-3ss7X:
undetectable		 4fogA-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
 1.27A 4fogA-3tadC:
undetectable		 4fogA-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) 		6 ILE A 403
TRP A 404
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)
 0.90A 4fogA-3um6A:
35.8		 4fogA-3um6A:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 LYS A 372
LEU A 487
ASP A 513
GLY A 517
PHE A 520
TYR A 553
 None
None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
None
UMP  A 611 (-4.5A)
 0.83A 4fogA-3um6A:
35.8		 4fogA-3um6A:
22.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3v8h THYMIDYLATE SYNTHASE

(Burkholderia
thailandensis) 		PF00303
(Thymidylat_synt) 		6 LYS A  48
SER A  54
LEU A 189
ASP A 217
GLY A 221
TYR A 257
 None
None
CIT  A 400 (-4.3A)
None
None
CIT  A 400 (-4.5A)
 0.78A 4fogA-3v8hA:
34.2		 4fogA-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
SER A  54
TRP A  80
LEU A 189
GLY A 221
TYR A 257
 None
None
None
CIT  A 400 (-4.3A)
None
CIT  A 400 (-4.5A)
 0.74A 4fogA-3v8hA:
34.2		 4fogA-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)
 0.97A 4fogA-3v8hA:
34.2		 4fogA-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
TRP A  80
LEU A 189
GLY A 221
PHE A 224
TYR A 257
 None
None
CIT  A 400 (-4.3A)
None
None
CIT  A 400 (-4.5A)
 0.89A 4fogA-3v8hA:
34.2		 4fogA-3v8hA:
36.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wq1 ENDOGLUCANASE A

(Pyrococcus
furiosus) 		PF01670
(Glyco_hydro_12) 		5 ILE A 259
LEU A 310
ASP A 156
GLY A 262
PHE A 264
 None
 1.30A 4fogA-3wq1A:
undetectable		 4fogA-3wq1A:
21.55
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)
 1.09A 4fogA-4dq1A:
36.0		 4fogA-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
TRP A  85
LEU A 198
GLY A 228
PHE A 231
 None
None
None
UMP  A 501 ( 4.0A)
None
 1.31A 4fogA-4dq1A:
36.0		 4fogA-4dq1A:
49.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dq1 THYMIDYLATE SYNTHASE

(Staphylococcus
aureus) 		PF00303
(Thymidylat_synt) 		5 LYS A  53
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)
 0.51A 4fogA-4dq1A:
36.0		 4fogA-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) 		11 LYS A  48
HIS A  51
SER A  54
ILE A  79
TRP A  80
TRP A  83
LEU A 143
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 C2F  A 302 ( 3.9A)
C2F  A 302 (-3.9A)
C2F  A 302 (-3.4A)
C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 (-3.9A)
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)
 0.01A 4fogA-4fogA:
46.9		 4fogA-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
SER A  57
ILE A  82
LEU A 146
ASP A 172
GLY A 176
TYR A 212
 None
None
None
None
None
UMP  A 301 (-3.6A)
UMP  A 301 (-4.5A)
 0.82A 4fogA-4h0uA:
40.4		 4fogA-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)
 0.81A 4fogA-4h0uA:
40.4		 4fogA-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 LYS A  51
HIS A  54
LEU A 146
ASP A 172
GLY A 176
PHE A 179
TYR A 212
 None
None
None
None
UMP  A 301 (-3.6A)
None
UMP  A 301 (-4.5A)
 0.88A 4fogA-4h0uA:
40.4		 4fogA-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 LYS A  51
HIS A  54
SER A  57
LEU A 146
ASP A 172
GLY A 176
TYR A 212
 None
None
None
None
None
UMP  A 301 (-3.6A)
UMP  A 301 (-4.5A)
 0.73A 4fogA-4h0uA:
40.4		 4fogA-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 LYS A  51
HIS A  54
SER A  57
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)
 0.77A 4fogA-4h0uA:
40.4		 4fogA-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.
4h7m ENDO-1,4-BETA-GLUCAN
ASE

(Trichoderma
harzianum) 		PF01670
(Glyco_hydro_12) 		5 ILE A 146
TRP A 151
TRP A 175
LEU A 128
TYR A 202
 None
 1.23A 4fogA-4h7mA:
undetectable		 4fogA-4h7mA:
19.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4iqq THYMIDYLATE SYNTHASE

(Caenorhabditis
elegans) 		PF00303
(Thymidylat_synt) 		5 ILE A 110
LEU A 194
GLY A 224
PHE A 227
TYR A 260
 D16  A 402 (-4.0A)
None
D16  A 402 ( 3.1A)
D16  A 402 (-3.2A)
D16  A 402 ( 4.2A)
 1.16A 4fogA-4iqqA:
36.2		 4fogA-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 194
GLY A 224
PHE A 227
 D16  A 402 (-4.0A)
None
None
D16  A 402 ( 3.1A)
D16  A 402 (-3.2A)
 1.08A 4fogA-4iqqA:
36.2		 4fogA-4iqqA:
43.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4iqq THYMIDYLATE SYNTHASE

(Caenorhabditis
elegans) 		PF00303
(Thymidylat_synt) 		5 LYS A  79
ILE A 110
LEU A 194
GLY A 224
TYR A 260
 D16  A 402 ( 4.5A)
D16  A 402 (-4.0A)
None
D16  A 402 ( 3.1A)
D16  A 402 ( 4.2A)
 1.15A 4fogA-4iqqA:
36.2		 4fogA-4iqqA:
43.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4iqq THYMIDYLATE SYNTHASE

(Caenorhabditis
elegans) 		PF00303
(Thymidylat_synt) 		5 LYS A  79
ILE A 110
TRP A 111
LEU A 194
GLY A 224
 D16  A 402 ( 4.5A)
D16  A 402 (-4.0A)
None
None
D16  A 402 ( 3.1A)
 1.03A 4fogA-4iqqA:
36.2		 4fogA-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.
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
 1.22A 4fogA-4m0dA:
undetectable		 4fogA-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.
4r7a HISTONE-BINDING
PROTEIN RBBP4

(Homo sapiens) 		PF00400
(WD40)
PF12265
(CAF1C_H4-bd) 		5 HIS B 226
SER B 245
ILE B 202
TRP B 205
GLY B 180
 None
 1.22A 4fogA-4r7aB:
undetectable		 4fogA-4r7aB:
19.68
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.
4ras OXIDOREDUCTASE,
NAD-BINDING/IRON-SUL
FUR CLUSTER-BINDING
PROTEIN

(Nitratireductor
pacificus) 		PF12838
(Fer4_7)
PF13486
(Dehalogenase) 		5 HIS A 459
SER A 489
ILE A 463
ASP A 501
GLY A 369
 B12  A 803 (-4.0A)
B12  A 803 (-3.1A)
B12  A 803 (-4.5A)
None
None
 1.39A 4fogA-4rasA:
undetectable		 4fogA-4rasA:
15.83
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)
 1.03A 4fogA-4xscA:
36.3		 4fogA-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)
 0.74A 4fogA-4xscA:
36.3		 4fogA-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.
4zj8 HUMAN OX1R FUSION
PROTEIN TO P.ABYSII
GLYCOGEN SYNTHASE

(Homo sapiens;
Pyrococcus
abyssi) 		PF00001
(7tm_1)
PF00534
(Glycos_transf_1) 		5 SER A 164
ILE A 168
TRP A 169
LEU A  94
TYR A 311
 None
 1.31A 4fogA-4zj8A:
undetectable		 4fogA-4zj8A:
19.34
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.
5a31 ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF12859
(ANAPC1) 		5 SER A1295
ILE A1277
LEU A1319
GLY A1303
TYR A1375
 None
 1.26A 4fogA-5a31A:
undetectable		 4fogA-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.
5a5t EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT F
EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT H

(Oryctolagus
cuniculus;
Oryctolagus
cuniculus) 		PF01398
(JAB)
PF13012
(MitMem_reg)
PF01398
(JAB) 		5 HIS F 115
ILE H  50
LEU H 150
ASP H  42
GLY H  43
 None
 1.27A 4fogA-5a5tF:
undetectable		 4fogA-5a5tF:
18.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5by6 THYMIDYLATE SYNTHASE

(Trichinella
spiralis) 		PF00303
(Thymidylat_synt) 		5 ILE A 102
TRP A 103
GLY A 216
PHE A 219
TYR A 252
 DTT  A 402 ( 4.3A)
DTT  A 402 ( 4.1A)
UMP  A 401 (-3.5A)
DTT  A 402 ( 4.1A)
UMP  A 401 (-4.6A)
 1.09A 4fogA-5by6A:
36.1		 4fogA-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
TRP A 103
LEU A 186
GLY A 216
PHE A 219
 DTT  A 402 ( 4.3A)
DTT  A 402 ( 4.1A)
None
UMP  A 401 (-3.5A)
DTT  A 402 ( 4.1A)
 1.16A 4fogA-5by6A:
36.1		 4fogA-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 LYS A  71
ILE A 102
ASP A 212
GLY A 216
TYR A 252
 None
DTT  A 402 ( 4.3A)
None
UMP  A 401 (-3.5A)
UMP  A 401 (-4.6A)
 1.09A 4fogA-5by6A:
36.1		 4fogA-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 LYS A  71
ILE A 102
TRP A 103
GLY A 216
TYR A 252
 None
DTT  A 402 ( 4.3A)
DTT  A 402 ( 4.1A)
UMP  A 401 (-3.5A)
UMP  A 401 (-4.6A)
 1.10A 4fogA-5by6A:
36.1		 4fogA-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 LYS A  71
ILE A 102
TRP A 103
LEU A 186
GLY A 216
 None
DTT  A 402 ( 4.3A)
DTT  A 402 ( 4.1A)
None
UMP  A 401 (-3.5A)
 1.20A 4fogA-5by6A:
36.1		 4fogA-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.
5c2m PREDICTED PROTEIN

(Nematostella
vectensis) 		PF14517
(Tachylectin) 		5 HIS A 168
LEU A 139
ASP A 118
GLY A 146
PHE A 148
 None
 1.10A 4fogA-5c2mA:
undetectable		 4fogA-5c2mA:
20.28
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)
 0.77A 4fogA-5h3aA:
35.9		 4fogA-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
TRP A 133
LEU A 216
GLY A 246
PHE A 249
TYR A 282
 D16  A 401 ( 4.0A)
None
None
D16  A 401 ( 3.2A)
D16  A 401 (-3.4A)
UMP  A 402 (-4.5A)
 1.04A 4fogA-5h3aA:
35.9		 4fogA-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
 0.86A 4fogA-5j7wA:
36.0		 4fogA-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.
5lvc VP1

(Aichivirus A) 		no annotation 5 ILE a  99
LEU a  75
ASP a 102
GLY a 221
PHE a 223
 None
 1.21A 4fogA-5lvca:
undetectable		 4fogA-5lvca:
25.34
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.
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
 1.28A 4fogA-5mxpA:
undetectable		 4fogA-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
 1.27A 4fogA-5n9jA:
undetectable		 4fogA-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)
 0.78A 4fogA-5t0lA:
37.3		 4fogA-5t0lA:
25.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 LYS A 371
ILE A 402
TRP A 403
LEU A 486
ASP A 513
GLY A 517
TYR A 553
 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 ( 3.0A)
UMP  A 701 (-4.4A)
 0.45A 4fogA-5t0lA:
37.3		 4fogA-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
 1.13A 4fogA-5v0tA:
undetectable		 4fogA-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.
5y09 PROTEASE DO-LIKE 9

(Arabidopsis
thaliana) 		no annotation 5 ILE A 314
LEU A 265
ASP A 222
GLY A 221
PHE A 220
 None
 1.35A 4fogA-5y09A:
undetectable		 4fogA-5y09A:
19.57
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
 0.58A 4fogA-6aujA:
35.3		 4fogA-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
 1.13A 4fogA-6aujA:
35.3		 4fogA-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
GLY A 181
PHE A 184
 None
None
PGE  A 301 ( 4.2A)
PGE  A 301 (-3.5A)
PGE  A 301 ( 4.0A)
PGE  A 301 (-3.7A)
 1.09A 4fogA-6aujA:
35.3		 4fogA-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
LEU A 151
GLY A 181
 None
None
PGE  A 301 ( 4.2A)
PGE  A 301 (-3.5A)
None
PGE  A 301 ( 4.0A)
 0.76A 4fogA-6aujA:
35.3		 4fogA-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.
6bxa VARIABLE LYMPHOCYTE
RECEPTOR 2

(Petromyzon
marinus) 		no annotation 5 SER C 135
ILE C 136
LEU C 147
ASP C 118
GLY C 115
 None
 1.39A 4fogA-6bxaC:
undetectable		 4fogA-6bxaC:
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
SER A  54
ILE A  79
TRP A  80
LEU A 143
ASP A 169
GLY A 173
TYR A 209
 CB3  A 701 ( 4.8A)
None
CB3  A 701 (-3.9A)
None
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 4.2A)
 0.63A 4fogA-6cdzA:
40.0		 4fogA-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
LEU A 143
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 None
CB3  A 701 (-3.9A)
None
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 0.91A 4fogA-6cdzA:
40.0		 4fogA-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.
6f0k FE-S-CLUSTER-CONTAIN
ING HYDROGENASE

(Rhodothermus
marinus) 		no annotation 5 HIS B 464
SER B 144
ASP B 582
GLY B 583
PHE B 585
 None
 1.34A 4fogA-6f0kB:
undetectable		 4fogA-6f0kB:
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
 1.12A 4fogA-6fayA:
undetectable		 4fogA-6fayA:
undetectable