SIMILAR PATTERNS OF AMINO ACIDS FOR 1JU6_D_LYAD315

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
ASP A 184
LEU A 187
GLY A 188
TYR A 224
 None
 0.71A 1ju6D-1bsfA:
31.7		 1ju6D-1bsfA:
35.19
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 LYS A  55
PHE A  58
ASN A  90
LEU A 205
TYR A 242
MET A 295
 CB3  A 768 ( 4.9A)
CB3  A 768 (-3.6A)
CB3  A 768 (-3.8A)
CB3  A 768 ( 4.4A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 1.12A 1ju6D-1ci7A:
43.3		 1ju6D-1ci7A:
57.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)

(Pneumocystis
carinii) 		PF00303
(Thymidylat_synt) 		8 PHE A  58
ILE A  86
ASN A  90
ASP A 202
LEU A 205
GLY A 206
TYR A 242
MET A 295
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
CB3  A 768 (-3.8A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.58A 1ju6D-1ci7A:
43.3		 1ju6D-1ci7A:
57.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)

(Pneumocystis
carinii) 		PF00303
(Thymidylat_synt) 		8 PHE A  58
ILE A  86
TRP A  87
ASN A  90
ASP A 202
LEU A 205
TYR A 242
MET A 295
 CB3  A 768 (-3.6A)
CB3  A 768 (-3.6A)
None
CB3  A 768 (-3.8A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.65A 1ju6D-1ci7A:
43.3		 1ju6D-1ci7A:
57.63
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.
1e5d RUBREDOXIN:OXYGEN
OXIDOREDUCTASE

(Desulfovibrio
gigas) 		PF00258
(Flavodoxin_1)
PF00753
(Lactamase_B) 		5 ILE A 171
ASP A  17
GLY A  32
TYR A  55
ALA A  15
 None
 1.37A 1ju6D-1e5dA:
0.0		 1ju6D-1e5dA:
21.33
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.
1gq1 CYTOCHROME CD1
NITRITE REDUCTASE

(Paracoccus
pantotrophus) 		PF02239
(Cytochrom_D1)
PF13442
(Cytochrome_CBB3) 		5 PHE A 212
ILE A 245
ASP A 217
GLY A 218
ALA A 198
 None
 1.41A 1ju6D-1gq1A:
0.0		 1ju6D-1gq1A:
21.98
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) 		11 LYS A  77
PHE A  80
ILE A 108
TRP A 109
ASN A 112
ASP A 218
LEU A 221
GLY A 222
TYR A 258
MET A 311
ALA A 312
 D16  A 414 ( 4.3A)
D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
D16  A 414 (-3.7A)
D16  A 414 ( 4.0A)
D16  A 414 ( 3.6A)
D16  A 414 (-4.0A)
D16  A 414 (-3.3A)
UMP  A 314 ( 4.4A)
D16  A 414 (-3.4A)
D16  A 414 (-3.6A)
 0.67A 1ju6D-1hvyA:
46.8		 1ju6D-1hvyA:
99.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ig0 THIAMIN
PYROPHOSPHOKINASE

(Saccharomyces
cerevisiae) 		PF04263
(TPK_catalytic)
PF04265
(TPK_B1_binding) 		5 ILE A 117
ASP A  69
LEU A  98
GLY A  96
ALA A  72
 None
 1.38A 1ju6D-1ig0A:
0.0		 1ju6D-1ig0A:
22.56
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.
1ixk METHYLTRANSFERASE

(Pyrococcus
horikoshii) 		PF01189
(Methyltr_RsmB-F)
PF17125
(Methyltr_RsmF_N) 		5 PHE A 308
ILE A 309
LEU A 297
GLY A 275
ALA A 105
 None
 1.48A 1ju6D-1ixkA:
0.0		 1ju6D-1ixkA:
21.68
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
ASN C 407
ASP C 513
GLY C 517
TYR C 553
 None
None
UMP  C 611 (-4.9A)
UMP  C 611 (-3.5A)
UMP  C 611 (-4.9A)
 0.97A 1ju6D-1j3jC:
40.4		 1ju6D-1j3jC:
49.39
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
ASN C 407
ASP C 513
LEU C 516
GLY C 517
TYR C 553
 None
None
UMP  C 611 (-4.9A)
None
UMP  C 611 (-3.5A)
UMP  C 611 (-4.9A)
 0.78A 1ju6D-1j3jC:
40.4		 1ju6D-1j3jC:
49.39
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.
1ks9 2-DEHYDROPANTOATE
2-REDUCTASE

(Escherichia
coli) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		5 ILE A  96
ASN A  98
LEU A  14
GLY A  12
ALA A 121
 None
 1.29A 1ju6D-1ks9A:
0.0		 1ju6D-1ks9A:
22.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qgj PEROXIDASE N

(Arabidopsis
thaliana) 		PF00141
(peroxidase) 		5 ILE A 145
ASN A 154
LEU A 245
TYR A 262
ALA A 160
 None
GSH  A1794 (-3.3A)
None
None
None
 1.32A 1ju6D-1qgjA:
undetectable		 1ju6D-1qgjA:
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.
1ud3 AMYLASE

(Bacillus sp.
KSM-K38) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		5 ILE A  40
ASN A 360
ASP A 100
GLY A  99
TYR A  56
 None
 1.48A 1ju6D-1ud3A:
undetectable		 1ju6D-1ud3A:
22.05
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.
1y8c S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Clostridium
acetobutylicum) 		PF13649
(Methyltransf_25) 		5 PHE A  27
ILE A 140
ASP A  44
LEU A  52
ALA A  46
 None
 1.43A 1ju6D-1y8cA:
undetectable		 1ju6D-1y8cA:
19.53
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.
1ysj PROTEIN YXEP

(Bacillus
subtilis) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 PHE A 129
ILE A 128
ASP A 326
GLY A 138
ALA A 328
 None
 1.29A 1ju6D-1ysjA:
undetectable		 1ju6D-1ysjA:
22.06
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) 		10 LYS A  69
PHE A  72
ILE A 100
TRP A 101
ASN A 104
ASP A 219
LEU A 222
GLY A 223
TYR A 259
MET A 315
 CB3  A2351 ( 4.1A)
CB3  A2351 (-3.9A)
CB3  A2351 (-3.6A)
CB3  A2351 (-3.7A)
CB3  A2351 (-3.7A)
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 ( 4.3A)
CB3  A2351 (-3.4A)
 0.37A 1ju6D-2aazA:
undetectable		 1ju6D-2aazA:
58.41
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.
2eu9 DUAL SPECIFICITY
PROTEIN KINASE CLK3

(Homo sapiens) 		PF00069
(Pkinase) 		5 PHE A 167
ILE A 188
ASN A 227
ASP A 138
GLY A 142
 None
 1.36A 1ju6D-2eu9A:
undetectable		 1ju6D-2eu9A:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fff PENICILLIN-BINDING
PROTEIN 1B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		5 ILE B 482
ASN B 485
LEU B 509
GLY B 510
ALA B 521
 None
 1.36A 1ju6D-2fffB:
undetectable		 1ju6D-2fffB:
19.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 LYS A 285
PHE A 288
ILE A 316
ASN A 320
ASP A 426
GLY A 430
TYR A 466
 None
None
None
None
None
DU  A 611 (-3.5A)
DU  A 611 (-4.6A)
 1.05A 1ju6D-2h2qA:
39.6		 1ju6D-2h2qA:
39.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 PHE A 288
ILE A 316
ASP A 426
LEU A 429
GLY A 430
TYR A 466
 None
None
None
None
DU  A 611 (-3.5A)
DU  A 611 (-4.6A)
 0.72A 1ju6D-2h2qA:
39.6		 1ju6D-2h2qA:
39.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 PHE A 288
ILE A 316
TRP A 317
ASN A 320
TYR A 466
 None
None
None
None
DU  A 611 (-4.6A)
 0.72A 1ju6D-2h2qA:
39.6		 1ju6D-2h2qA:
39.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jch PENICILLIN-BINDING
PROTEIN 1B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase)
PF00912
(Transgly) 		5 ILE A 482
ASN A 485
LEU A 509
GLY A 510
ALA A 521
 None
 1.35A 1ju6D-2jchA:
undetectable		 1ju6D-2jchA:
17.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
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
ASN A 319
ASP A 426
LEU A 429
GLY A 430
TYR A 466
MET A 519
ALA A 520
 CB3  A 604 ( 4.7A)
CB3  A 604 ( 3.7A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 4.3A)
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 3.5A)
CB3  A 604 ( 4.0A)
 0.47A 1ju6D-2oipA:
44.2		 1ju6D-2oipA:
34.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qv5 UNCHARACTERIZED
PROTEIN ATU2773

(Agrobacterium
fabrum) 		PF04748
(Polysacc_deac_2) 		5 PHE A 303
ILE A 296
LEU A 229
MET A 265
ALA A 266
 None
 1.33A 1ju6D-2qv5A:
undetectable		 1ju6D-2qv5A:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r62 CELL DIVISION
PROTEASE FTSH
HOMOLOG

(Helicobacter
pylori) 		PF00004
(AAA) 		5 PHE A 232
ILE A 266
ASP A 269
GLY A 235
ALA A 316
 None
 1.04A 1ju6D-2r62A:
undetectable		 1ju6D-2r62A:
23.44
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 LYS A  50
ASP A 221
LEU A 224
GLY A 225
TYR A 261
 THF  A 568 ( 4.7A)
UFP  A 529 (-4.7A)
THF  A 568 (-3.6A)
UFP  A 529 ( 4.0A)
UFP  A 529 (-4.7A)
 0.66A 1ju6D-2tddA:
34.5		 1ju6D-2tddA:
42.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wsk GLYCOGEN DEBRANCHING
ENZYME

(Escherichia
coli) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 PHE A 104
ASN A 284
ASP A 271
LEU A 270
GLY A 274
 None
 1.33A 1ju6D-2wskA:
undetectable		 1ju6D-2wskA:
18.80
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.
3eo3 BIFUNCTIONAL
UDP-N-ACETYLGLUCOSAM
INE
2-EPIMERASE/N-ACETYL
MANNOSAMINE KINASE

(Homo sapiens) 		PF00480
(ROK) 		5 ILE A 541
ASN A 516
LEU A 567
GLY A 568
ALA A 564
 None
 1.13A 1ju6D-3eo3A:
undetectable		 1ju6D-3eo3A:
20.92
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.
3f1k UNCHARACTERIZED
OXIDOREDUCTASE YCIK

(Escherichia
coli) 		PF00106
(adh_short) 		5 PHE A 240
ILE A 192
ASN A  99
GLY A 195
TYR A 165
 None
None
NAP  A 300 (-3.1A)
NAP  A 300 (-4.7A)
NAP  A 300 (-4.6A)
 1.38A 1ju6D-3f1kA:
undetectable		 1ju6D-3f1kA:
20.06
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.
3fz4 PUTATIVE ARSENATE
REDUCTASE

(Streptococcus
mutans) 		PF03960
(ArsC) 		5 PHE A  56
ILE A  42
ASP A  88
LEU A  91
GLY A  89
 None
 1.14A 1ju6D-3fz4A:
undetectable		 1ju6D-3fz4A:
17.10
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.
3gcf TERMINAL OXYGENASE
COMPONENT OF
CARBAZOLE
1,9A-DIOXYGENASE

(Nocardioides
aromaticivorans) 		PF00355
(Rieske)
PF11723
(Aromatic_hydrox) 		5 ILE A 293
ASN A 176
LEU A  55
GLY A  56
ALA A  27
 CL  A 396 ( 4.9A)
None
None
None
None
 1.42A 1ju6D-3gcfA:
undetectable		 1ju6D-3gcfA:
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.
3gkq TERMINAL OXYGENASE
COMPONENT OF
CARBAZOLE
1,9A-DIOXYGENASE

(Sphingomonas
sp. KA1) 		PF00355
(Rieske)
PF11723
(Aromatic_hydrox) 		5 ILE A 290
ASN A 173
LEU A  52
GLY A  53
ALA A  24
 None
 1.45A 1ju6D-3gkqA:
undetectable		 1ju6D-3gkqA:
23.39
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.
3h0g DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2
DNA-DIRECTED RNA
POLYMERASES I, II,
AND III SUBUNIT
RPABC4

(Schizosaccharomyces
pombe) 		PF00562
(RNA_pol_Rpb2_6)
PF03604
(DNA_RNApol_7kD)
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 900
ASP B 885
LEU B 887
GLY B 886
TYR L  22
 None
 1.50A 1ju6D-3h0gB:
undetectable		 1ju6D-3h0gB:
14.35
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.
3i3w PHOSPHOGLUCOSAMINE
MUTASE

(Francisella
tularensis) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 PHE A  96
ILE A 110
LEU A  57
GLY A  54
ALA A  15
 None
 1.49A 1ju6D-3i3wA:
undetectable		 1ju6D-3i3wA:
20.57
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 PHE A  60
ASP A 197
LEU A 200
GLY A 201
TYR A 237
 None
 0.90A 1ju6D-3kgbA:
36.3		 1ju6D-3kgbA:
56.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		9 LYS A 275
ILE A 306
TRP A 307
ASN A 310
ASP A 416
LEU A 419
GLY A 420
TYR A 456
MET A 509
 None
GOL  A 516 (-3.9A)
GOL  A 516 (-3.7A)
GOL  A 516 (-3.7A)
None
None
None
None
GOL  A 516 (-4.0A)
 0.50A 1ju6D-3kjrA:
44.6		 1ju6D-3kjrA:
34.44
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.
3qz3 FERRITIN

(Vibrio cholerae) 		PF00210
(Ferritin) 		5 PHE A  48
ILE A 143
LEU A  89
GLY A  90
ALA A 156
 EDO  A 182 ( 4.7A)
None
None
None
None
 1.36A 1ju6D-3qz3A:
undetectable		 1ju6D-3qz3A:
20.37
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.
3ss7 D-SERINE DEHYDRATASE

(Escherichia
coli) 		PF00291
(PALP) 		5 PHE X  67
ILE X 123
ASP X 108
LEU X 111
ALA X 251
 None
 1.36A 1ju6D-3ss7X:
undetectable		 1ju6D-3ss7X:
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ILE A 403
ASN A 407
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)
 1.00A 1ju6D-3um6A:
40.7		 1ju6D-3um6A:
28.12
Potential target for repurposing, i.e. matched protein structure has less than 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
ASN A 407
ASP A 513
LEU A 516
GLY A 517
TYR A 553
 None
None
UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.72A 1ju6D-3um6A:
40.7		 1ju6D-3um6A:
28.12
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
ASN A  83
ASP A 217
LEU A 220
GLY A 221
TYR A 257
 None
None
None
None
None
CIT  A 400 (-4.5A)
 0.72A 1ju6D-3v8hA:
34.6		 1ju6D-3v8hA:
34.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wtb PUTATIVE
OXIDOREDUCTASE

(Gluconobacter
oxydans) 		PF13561
(adh_short_C2) 		5 ILE A 200
ASP A 238
LEU A 241
GLY A 183
ALA A 205
 None
 1.11A 1ju6D-3wtbA:
undetectable		 1ju6D-3wtbA:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d3y LEGUMAIN

(Cricetulus
griseus) 		PF01650
(Peptidase_C13) 		5 ILE A  92
ASP A  53
GLY A 235
TYR A 149
ALA A  57
 None
 1.50A 1ju6D-4d3yA:
undetectable		 1ju6D-4d3yA:
20.76
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
ASP A 224
LEU A 227
GLY A 228
TYR A 264
 None
None
None
UMP  A 501 ( 4.0A)
UMP  A 501 (-4.2A)
 0.48A 1ju6D-4dq1A:
34.6		 1ju6D-4dq1A:
43.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fj6 GLYCOSIDE HYDROLASE
FAMILY 33, CANDIDATE
SIALIDASE

(Parabacteroides
distasonis) 		PF13859
(BNR_3)
PF14873
(BNR_assoc_N) 		5 PHE A 362
ILE A 360
ASP A 268
LEU A 342
ALA A 284
 None
 1.47A 1ju6D-4fj6A:
undetectable		 1ju6D-4fj6A:
23.65
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) 		6 LYS A  48
ILE A  79
TRP A  80
ASP A 169
GLY A 173
TYR A 209
 C2F  A 302 ( 3.9A)
C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 ( 4.6A)
 0.51A 1ju6D-4fogA:
38.2		 1ju6D-4fogA:
46.65
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
ASP A 172
LEU A 175
GLY A 176
TYR A 212
 None
None
None
UMP  A 301 (-3.6A)
UMP  A 301 (-4.5A)
 0.40A 1ju6D-4h0uA:
35.9		 1ju6D-4h0uA:
45.05
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
ASP A 220
LEU A 223
GLY A 224
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 ( 4.2A)
 0.76A 1ju6D-4iqqA:
41.8		 1ju6D-4iqqA:
62.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4okm TERPENE SYNTHASE
METAL-BINDING
DOMAIN-CONTAINING
PROTEIN

(Streptomyces
pristinaespiralis) 		no annotation 5 ILE A  38
TRP A  77
ASP A  83
LEU A  43
GLY A  84
 None
None
MG  A 901 ( 4.7A)
None
None
 1.48A 1ju6D-4okmA:
undetectable		 1ju6D-4okmA:
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.
4oqs CYP105AS1

(Amycolatopsis
orientalis) 		PF00067
(p450) 		5 PHE A 172
ILE A 200
ASN A 232
LEU A 193
GLY A 194
 None
 1.48A 1ju6D-4oqsA:
undetectable		 1ju6D-4oqsA:
23.43
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.
4p6v NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT B
NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT C

(Vibrio cholerae) 		PF03116
(NQR2_RnfD_RnfE)
PF04205
(FMN_bind) 		5 ILE C 205
ASN C 229
GLY C 208
TYR B 378
ALA B 377
 None
 1.40A 1ju6D-4p6vC:
undetectable		 1ju6D-4p6vC:
20.68
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.
4rsh LIPOLYTIC PROTEIN
G-D-S-L FAMILY

(Desulfitobacterium
hafniense) 		PF13472
(Lipase_GDSL_2) 		5 PHE A 170
ILE A 167
ASN A 197
ASP A 187
LEU A 156
 None
 1.31A 1ju6D-4rshA:
undetectable		 1ju6D-4rshA:
21.00
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.
4rt6 HEME/HEMOPEXIN-BINDI
NG PROTEIN

(Haemophilus
influenzae) 		PF05860
(Haemagg_act) 		5 ASP A 511
LEU A 597
GLY A 512
TYR A 509
ALA A 557
 None
 1.46A 1ju6D-4rt6A:
undetectable		 1ju6D-4rt6A:
16.16
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 PHE A  68
ILE A  96
ASP A 206
LEU A 209
GLY A 210
TYR A 246
 None
1PE  A1002 (-4.6A)
None
None
BVP  A1001 (-3.4A)
BVP  A1001 (-4.5A)
 0.54A 1ju6D-4xscA:
40.0		 1ju6D-4xscA:
65.18
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 PHE A  68
ILE A  96
TRP A  97
GLY A 210
TYR A 246
 None
1PE  A1002 (-4.6A)
1PE  A1002 (-4.7A)
BVP  A1001 (-3.4A)
BVP  A1001 (-4.5A)
 0.89A 1ju6D-4xscA:
40.0		 1ju6D-4xscA:
65.18
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
PHE A  74
ASP A 212
LEU A 215
GLY A 216
TYR A 252
 None
None
None
None
UMP  A 401 (-3.5A)
UMP  A 401 (-4.6A)
 0.97A 1ju6D-5by6A:
41.9		 1ju6D-5by6A:
62.78
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
PHE A  74
ILE A 102
ASN A 106
GLY A 216
 None
None
DTT  A 402 ( 4.3A)
None
UMP  A 401 (-3.5A)
 1.15A 1ju6D-5by6A:
41.9		 1ju6D-5by6A:
62.78
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
PHE A  74
ILE A 102
GLY A 216
TYR A 252
 None
None
DTT  A 402 ( 4.3A)
UMP  A 401 (-3.5A)
UMP  A 401 (-4.6A)
 1.17A 1ju6D-5by6A:
41.9		 1ju6D-5by6A:
62.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5es2 UNCHARACTERIZED
PROTEIN LPG0634

(Legionella
pneumophila) 		PF16848
(SoDot-IcmSS) 		5 PHE A  75
LEU A 129
GLY A 128
TYR A 168
ALA A 164
 None
 1.27A 1ju6D-5es2A:
undetectable		 1ju6D-5es2A:
21.74
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 PHE A 104
ILE A 132
ASP A 242
GLY A 246
TYR A 282
 D16  A 401 (-3.6A)
D16  A 401 ( 4.0A)
D16  A 401 ( 4.0A)
D16  A 401 ( 3.2A)
UMP  A 402 (-4.5A)
 0.66A 1ju6D-5h3aA:
42.3		 1ju6D-5h3aA:
71.73
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
 0.51A 1ju6D-5j7wA:
34.5		 1ju6D-5j7wA:
45.58
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.
5lub LEGUMAIN

(Homo sapiens) 		no annotation 5 ILE B  87
ASP B  48
GLY B 230
TYR B 144
ALA B  52
 None
 1.45A 1ju6D-5lubB:
undetectable		 1ju6D-5lubB:
20.36
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.
5nva PUTATIVE
SODIUM:SOLUTE
SYMPORTER

(Proteus
mirabilis) 		no annotation 5 PHE A 150
ILE A 320
GLY A 330
TYR A  17
ALA A 338
 None
 1.50A 1ju6D-5nvaA:
undetectable		 1ju6D-5nvaA:
13.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		11 LYS A 371
PHE A 374
ILE A 402
TRP A 403
ASN A 406
ASP A 513
LEU A 516
GLY A 517
TYR A 553
MET A 608
ALA A 609
 CB3  A 703 (-3.2A)
None
CB3  A 703 (-3.4A)
CB3  A 703 (-4.1A)
CB3  A 703 (-4.2A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
CB3  A 703 (-3.8A)
 0.53A 1ju6D-5t0lA:
44.8		 1ju6D-5t0lA:
37.81
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.
5th3 R-SWAI PROTEIN

(Staphylococcus
warneri) 		no annotation 5 ILE A 108
ASN A 105
LEU A 129
TYR A 144
ALA A 174
 None
 1.43A 1ju6D-5th3A:
undetectable		 1ju6D-5th3A:
20.26
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.
5vzt F-BOX ONLY PROTEIN
31

(Homo sapiens) 		no annotation 5 ILE B 145
ASN B 518
LEU B 160
GLY B 171
TYR B 174
 None
 1.40A 1ju6D-5vztB:
undetectable		 1ju6D-5vztB:
13.20
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.
5zbi PEPTIDE ASPARAGINYL
LIGASE

(Viola
canadensis) 		no annotation 5 ILE A 106
ASP A  67
GLY A 257
TYR A 162
ALA A  71
 None
 1.46A 1ju6D-5zbiA:
undetectable		 1ju6D-5zbiA:
13.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6cdz THYMIDYLATE SYNTHASE

(Escherichia
coli) 		no annotation 6 LYS A  48
ILE A  79
ASP A 169
LEU A 172
GLY A 173
TYR A 209
 CB3  A 701 ( 4.8A)
CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
UMP  A 702 ( 4.2A)
 0.72A 1ju6D-6cdzA:
37.6		 1ju6D-6cdzA:
38.53
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.
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
 1.27A 1ju6D-6etiA:
undetectable		 1ju6D-6etiA:
14.67