SIMILAR PATTERNS OF AMINO ACIDS FOR 1JU6_A_LYAA317

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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1a0c XYLOSE ISOMERASE

(Thermoanaerobacterium
thermosulfurigenes) 		PF01261
(AP_endonuc_2) 		5 PHE A  99
ILE A 125
PHE A  97
TYR A   3
ALA A  80
 None
 1.39A 1ju6A-1a0cA:
0.0		 1ju6A-1a0cA:
20.66
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.
1am5 PEPSIN

(Gadus morhua) 		PF00026
(Asp) 		5 ASP A 303
LEU A 306
GLY A 302
PHE A 301
TYR A  14
 None
 1.28A 1ju6A-1am5A:
0.0		 1ju6A-1am5A:
21.17
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) 		9 PHE A  58
ILE A  86
ASN A  90
ASP A 202
LEU A 205
GLY A 206
PHE A 209
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 (-3.6A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.76A 1ju6A-1ci7A:
43.3		 1ju6A-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) 		9 PHE A  58
ILE A  86
TRP A  87
ASN A  90
ASP A 202
LEU A 205
PHE A 209
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 (-3.6A)
CB3  A 768 ( 4.7A)
CB3  A 768 (-3.8A)
 0.81A 1ju6A-1ci7A:
43.3		 1ju6A-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
 1.36A 1ju6A-1e5dA:
0.0		 1ju6A-1e5dA:
21.33
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 PHE A  80
ILE A 108
TRP A 109
ASN A 112
ASP A 218
LEU A 221
GLY A 222
PHE A 225
TYR A 258
MET A 311
ALA A 312
 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)
D16  A 414 (-3.6A)
UMP  A 314 ( 4.4A)
D16  A 414 (-3.4A)
D16  A 414 (-3.6A)
 0.78A 1ju6A-1hvyA:
46.8		 1ju6A-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.
1idj PECTIN LYASE A

(Aspergillus
niger) 		PF00544
(Pec_lyase_C) 		5 PHE A  49
ILE A 121
GLY A 123
PHE A  51
ALA A 172
 None
 1.40A 1ju6A-1idjA:
0.0		 1ju6A-1idjA:
23.34
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.
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 1ju6A-1ig0A:
0.0		 1ju6A-1ig0A:
22.56
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 ASN C 407
ASP C 513
LEU C 516
GLY C 517
PHE C 520
TYR C 553
 None
UMP  C 611 (-4.9A)
None
UMP  C 611 (-3.5A)
None
UMP  C 611 (-4.9A)
 0.92A 1ju6A-1j3jC:
40.4		 1ju6A-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) 		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 1ju6A-1j3jC:
40.4		 1ju6A-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.
1ms8 TRANS-SIALIDASE

(Trypanosoma
cruzi) 		PF13385
(Laminin_G_3)
PF13859
(BNR_3) 		5 ILE A 131
ASP A  96
LEU A 176
GLY A 177
PHE A 175
 None
DAN  A 700 (-3.3A)
None
None
None
 1.29A 1ju6A-1ms8A:
0.0		 1ju6A-1ms8A:
18.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o9j ALDEHYDE
DEHYDROGENASE,
CYTOSOLIC 1

(Elephantulus
edwardii) 		PF00171
(Aldedh) 		5 ILE A 276
ASN A 421
ASP A 414
LEU A 413
PHE A 410
 None
 1.16A 1ju6A-1o9jA:
undetectable		 1ju6A-1o9jA:
19.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qcx PECTIN LYASE B

(Aspergillus
niger) 		PF00544
(Pec_lyase_C) 		5 PHE A  49
ILE A 121
GLY A 123
PHE A  51
ALA A 172
 None
 1.39A 1ju6A-1qcxA:
undetectable		 1ju6A-1qcxA:
20.64
Potential target for repurposing, i.e. matched protein structure has less than 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 1ju6A-1qgjA:
undetectable		 1ju6A-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.
1sb3 4-HYDROXYBENZOYL-COA
REDUCTASE ALPHA
SUBUNIT

(Thauera
aromatica) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 ILE A 736
LEU A 733
GLY A 731
PHE A 732
ALA A 368
 None
 1.25A 1ju6A-1sb3A:
undetectable		 1ju6A-1sb3A:
16.30
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.
1ub7 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
SYNTHASE

(Thermus
thermophilus) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 ILE A 252
ASN A 276
GLY A 211
PHE A 215
ALA A 308
 None
CSO  A 110 ( 4.4A)
None
None
CSO  A 110 ( 4.4A)
 1.24A 1ju6A-1ub7A:
undetectable		 1ju6A-1ub7A:
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.
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 1ju6A-1ysjA:
undetectable		 1ju6A-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 PHE A  72
ILE A 100
TRP A 101
ASN A 104
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
MET A 315
 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 (-3.8A)
CB3  A2351 ( 4.3A)
CB3  A2351 (-3.4A)
 0.36A 1ju6A-2aazA:
undetectable		 1ju6A-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.
2efl FORMIN-BINDING
PROTEIN 1

(Homo sapiens) 		PF00611
(FCH) 		5 PHE A  11
ILE A 216
LEU A   7
GLY A   4
PHE A 213
 None
 1.30A 1ju6A-2eflA:
undetectable		 1ju6A-2eflA:
19.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.37A 1ju6A-2eu9A:
undetectable		 1ju6A-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 1ju6A-2fffB:
undetectable		 1ju6A-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 PHE A 288
ILE A 316
ASN A 320
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)
 0.87A 1ju6A-2h2qA:
39.6		 1ju6A-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) 		7 PHE A 288
ILE A 316
ASP A 426
LEU A 429
GLY A 430
PHE A 433
TYR A 466
 None
None
None
None
DU  A 611 (-3.5A)
None
DU  A 611 (-4.6A)
 0.87A 1ju6A-2h2qA:
39.6		 1ju6A-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
TRP A 317
ASN A 320
PHE A 433
TYR A 466
 None
None
None
None
None
DU  A 611 (-4.6A)
 0.83A 1ju6A-2h2qA:
39.6		 1ju6A-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.
2i5p GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
1

(Kluyveromyces
marxianus) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 PHE O  44
ILE O  30
GLY O   7
PHE O   8
ALA O  92
 None
 1.33A 1ju6A-2i5pO:
undetectable		 1ju6A-2i5pO:
22.89
Potential target for repurposing, i.e. matched protein structure has less than 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 1ju6A-2jchA:
undetectable		 1ju6A-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 ILE A 315
TRP A 316
ASN A 319
ASP A 426
LEU A 429
GLY A 430
PHE A 433
TYR A 466
MET A 519
ALA A 520
 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)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 3.5A)
CB3  A 604 ( 4.0A)
 0.57A 1ju6A-2oipA:
44.1		 1ju6A-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.
2qgm SUCCINOGLYCAN
BIOSYNTHESIS PROTEIN

(Bacillus cereus) 		PF05139
(Erythro_esteras) 		5 ILE A 410
ASN A 307
GLY A  85
PHE A 348
TYR A 140
 None
 1.13A 1ju6A-2qgmA:
undetectable		 1ju6A-2qgmA:
19.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.34A 1ju6A-2qv5A:
undetectable		 1ju6A-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
 1.03A 1ju6A-2r62A:
undetectable		 1ju6A-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 ASP A 221
LEU A 224
GLY A 225
PHE A 228
TYR A 261
 UFP  A 529 (-4.7A)
THF  A 568 (-3.6A)
UFP  A 529 ( 4.0A)
THF  A 568 (-4.8A)
UFP  A 529 (-4.7A)
 0.53A 1ju6A-2tddA:
34.5		 1ju6A-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
 1.32A 1ju6A-2wskA:
undetectable		 1ju6A-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.
2xj9 MIPZ

(Caulobacter
vibrioides) 		PF09140
(MipZ) 		5 PHE A  97
ILE A 109
ASP A  78
PHE A  93
ALA A  49
 None
 1.11A 1ju6A-2xj9A:
undetectable		 1ju6A-2xj9A:
23.12
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.
3d54 PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE 1

(Thermotoga
maritima) 		PF13507
(GATase_5) 		5 ILE D  93
GLY D  84
PHE D  89
TYR D  10
ALA D  63
 None
 1.39A 1ju6A-3d54D:
undetectable		 1ju6A-3d54D:
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.
3efb PROBABLE SOR-OPERON
REGULATOR

(Shigella
flexneri) 		PF04198
(Sugar-bind) 		5 PHE A 176
ASN A 209
ASP A 183
GLY A 179
ALA A 187
 None
 1.18A 1ju6A-3efbA:
undetectable		 1ju6A-3efbA:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eix HTSA PROTEIN

(Staphylococcus
aureus) 		PF01497
(Peripla_BP_2) 		5 PHE A 190
ILE A 188
ASN A 182
GLY A 223
PHE A 224
 None
 1.30A 1ju6A-3eixA:
undetectable		 1ju6A-3eixA:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.12A 1ju6A-3eo3A:
undetectable		 1ju6A-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)
 1.37A 1ju6A-3f1kA:
undetectable		 1ju6A-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
 1.15A 1ju6A-3fz4A:
undetectable		 1ju6A-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.
3h15 PROTEIN MCM10
HOMOLOG

(Xenopus laevis) 		PF09329
(zf-primase) 		5 PHE A 241
ASN A 346
LEU A 370
GLY A 343
PHE A 288
 None
 1.36A 1ju6A-3h15A:
undetectable		 1ju6A-3h15A:
22.44
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 ASP A 169
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 None
 0.53A 1ju6A-3ix6A:
33.0		 1ju6A-3ix6A:
44.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j97 VESICLE-FUSING
ATPASE

(Cricetulus
griseus) 		PF00004
(AAA)
PF02359
(CDC48_N)
PF02933
(CDC48_2) 		5 PHE A 125
ASN A 180
LEU A 176
GLY A 175
PHE A 130
 None
 1.29A 1ju6A-3j97A:
undetectable		 1ju6A-3j97A:
16.96
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) 		6 PHE A  60
ASP A 197
LEU A 200
GLY A 201
PHE A 204
TYR A 237
 None
 1.04A 1ju6A-3kgbA:
36.3		 1ju6A-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 ILE A 306
TRP A 307
ASN A 310
ASP A 416
LEU A 419
GLY A 420
PHE A 423
TYR A 456
MET A 509
 GOL  A 516 (-3.9A)
GOL  A 516 (-3.7A)
GOL  A 516 (-3.7A)
None
None
None
None
None
GOL  A 516 (-4.0A)
 0.53A 1ju6A-3kjrA:
44.6		 1ju6A-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.
3ksd GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
1

(Staphylococcus
aureus) 		no annotation 5 PHE Q  18
GLY Q   9
PHE Q  10
TYR Q 100
ALA Q  80
 None
NAD  Q 337 (-3.4A)
None
None
None
 1.23A 1ju6A-3ksdQ:
undetectable		 1ju6A-3ksdQ:
21.29
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.
3obi FORMYLTETRAHYDROFOLA
TE DEFORMYLASE

(Rhodopseudomonas
palustris) 		PF00551
(Formyl_trans_N) 		5 PHE A 130
ILE A 121
ASP A 137
GLY A 136
PHE A 135
 None
 1.08A 1ju6A-3obiA:
undetectable		 1ju6A-3obiA:
21.24
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.
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 1ju6A-3qz3A:
undetectable		 1ju6A-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.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT M

(Escherichia
coli) 		no annotation 5 PHE M 274
ILE M 189
GLY M 226
PHE M 227
ALA M 180
 None
None
LFA  N 486 ( 4.1A)
None
None
 1.39A 1ju6A-3rkoM:
undetectable		 1ju6A-3rkoM:
21.58
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.
3sbu HYPOTHETICAL
NTF2-LIKE PROTEIN

(Bacteroides
fragilis) 		PF14254
(DUF4348) 		5 PHE A 152
ILE A 237
ASP A 129
LEU A 132
PHE A  64
 None
None
GOL  A 287 ( 3.9A)
GOL  A 289 ( 4.2A)
None
 1.34A 1ju6A-3sbuA:
undetectable		 1ju6A-3sbuA:
23.89
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.35A 1ju6A-3ss7X:
undetectable		 1ju6A-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.
3tc3 UV DAMAGE
ENDONUCLEASE

(Sulfolobus
acidocaldarius) 		PF03851
(UvdE) 		5 PHE A 160
ILE A 173
ASN A 175
GLY A 143
PHE A 156
 None
 1.33A 1ju6A-3tc3A:
undetectable		 1ju6A-3tc3A:
23.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ASN A 407
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 None
UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
None
UMP  A 611 (-4.5A)
 0.87A 1ju6A-3um6A:
40.7		 1ju6A-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) 		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 1ju6A-3um6A:
40.7		 1ju6A-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 ASN A  83
ASP A 217
LEU A 220
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
None
CIT  A 400 (-4.5A)
 0.94A 1ju6A-3v8hA:
34.6		 1ju6A-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.
3w4r CHITINASE

(Ostrinia
furnacalis) 		PF00704
(Glyco_hydro_18) 		5 PHE A  85
LEU A 143
GLY A 142
PHE A 140
ALA A 187
 None
 1.17A 1ju6A-3w4rA:
undetectable		 1ju6A-3w4rA:
19.61
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.
3wl1 CHITINASE

(Ostrinia
furnacalis) 		PF00704
(Glyco_hydro_18) 		5 PHE A  85
LEU A 143
GLY A 142
PHE A 140
ALA A 187
 None
 1.16A 1ju6A-3wl1A:
undetectable		 1ju6A-3wl1A:
23.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 1ju6A-3wtbA:
undetectable		 1ju6A-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.
4cak INTEGRIN BETA-3

(Homo sapiens) 		PF00362
(Integrin_beta)
PF07965
(Integrin_B_tail)
PF07974
(EGF_2)
PF17205
(PSI_integrin) 		5 PHE B 153
ILE B 131
LEU B 138
GLY B 135
PHE B 203
 None
 1.36A 1ju6A-4cakB:
undetectable		 1ju6A-4cakB:
17.98
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.
4dib GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE

(Bacillus
anthracis) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 PHE A  17
ILE A   6
GLY A  10
PHE A   9
ALA A 120
 None
 1.32A 1ju6A-4dibA:
undetectable		 1ju6A-4dibA:
24.32
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 ILE A  79
TRP A  80
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
C2F  A 302 ( 4.6A)
 0.54A 1ju6A-4fogA:
38.1		 1ju6A-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 ASP A 172
LEU A 175
GLY A 176
PHE A 179
TYR A 212
 None
None
UMP  A 301 (-3.6A)
None
UMP  A 301 (-4.5A)
 0.63A 1ju6A-4h0uA:
35.9		 1ju6A-4h0uA:
45.05
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.
4ikv DI-TRIPEPTIDE ABC
TRANSPORTER
(PERMEASE)

(Geobacillus
kaustophilus) 		PF00854
(PTR2) 		5 ILE A 470
GLY A 379
PHE A 382
MET A 304
ALA A 301
 None
 1.09A 1ju6A-4ikvA:
undetectable		 1ju6A-4ikvA:
20.23
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
ASN A 114
LEU A 223
GLY A 224
PHE A 227
 D16  A 402 (-4.0A)
None
D16  A 402 (-3.7A)
D16  A 402 ( 3.1A)
D16  A 402 (-3.2A)
 1.03A 1ju6A-4iqqA:
41.7		 1ju6A-4iqqA:
62.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4iqq THYMIDYLATE SYNTHASE

(Caenorhabditis
elegans) 		PF00303
(Thymidylat_synt) 		6 ILE A 110
ASP A 220
LEU A 223
GLY A 224
PHE A 227
TYR A 260
 D16  A 402 (-4.0A)
D16  A 402 ( 4.0A)
D16  A 402 (-3.7A)
D16  A 402 ( 3.1A)
D16  A 402 (-3.2A)
D16  A 402 ( 4.2A)
 0.91A 1ju6A-4iqqA:
41.7		 1ju6A-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.
4krf PROTEIN ARGONAUTE-1

(Homo sapiens) 		PF02170
(PAZ)
PF02171
(Piwi)
PF08699
(ArgoL1)
PF16486
(ArgoN)
PF16487
(ArgoMid)
PF16488
(ArgoL2) 		5 ILE A 516
ASP A 535
GLY A 534
PHE A 503
TYR A 855
 None
 1.38A 1ju6A-4krfA:
undetectable		 1ju6A-4krfA:
17.54
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.
4m5b COBALAMIN
BIOSYNTHESIS PROTEIN
CBIM

(Caldanaerobacter
subterraneus) 		PF01891
(CbiM) 		5 ILE A  53
LEU A  74
GLY A  46
PHE A  49
ALA A 114
 HEZ  A 322 ( 4.9A)
None
HEZ  A 312 ( 3.8A)
HEZ  A 312 (-3.6A)
None
 1.39A 1ju6A-4m5bA:
undetectable		 1ju6A-4m5bA:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p6b EST-Y29

(metagenome) 		PF00144
(Beta-lactamase) 		5 PHE A 208
ASP A 143
GLY A 144
PHE A 256
MET A 151
 None
 1.39A 1ju6A-4p6bA:
undetectable		 1ju6A-4p6bA:
23.61
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.
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 1ju6A-4p6vC:
undetectable		 1ju6A-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 1ju6A-4rshA:
undetectable		 1ju6A-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.
4ur2 TETRACHLOROETHENE
REDUCTIVE
DEHALOGENASE
CATALYTIC SUBUNIT
PCEA

(Sulfurospirillum
multivorans) 		PF13484
(Fer4_16)
PF13486
(Dehalogenase) 		5 PHE A 328
ILE A 397
GLY A 301
PHE A 392
ALA A   7
 None
None
None
SF4  A 501 ( 4.9A)
None
 1.26A 1ju6A-4ur2A:
undetectable		 1ju6A-4ur2A:
20.09
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.
4uri CHITINASE-RELATED
AGGLUTININ

(Robinia
pseudoacacia) 		PF00704
(Glyco_hydro_18) 		5 PHE A  50
ASN A 181
LEU A 111
GLY A 110
PHE A 108
 None
 1.20A 1ju6A-4uriA:
undetectable		 1ju6A-4uriA:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x0o 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3 PROTEIN 2

(Vibrio cholerae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 ILE A 257
ASN A 281
GLY A 216
PHE A 220
ALA A 313
 None
SCY  A 113 ( 3.7A)
None
None
SCY  A 113 ( 3.9A)
 1.36A 1ju6A-4x0oA:
undetectable		 1ju6A-4x0oA:
24.76
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
GLY A 210
PHE A 213
TYR A 246
 None
1PE  A1002 (-4.6A)
None
BVP  A1001 (-3.4A)
1PE  A1002 (-3.8A)
BVP  A1001 (-4.5A)
 0.91A 1ju6A-4xscA:
40.0		 1ju6A-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) 		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)
 0.53A 1ju6A-4xscA:
40.0		 1ju6A-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
PHE A 213
 None
1PE  A1002 (-4.6A)
1PE  A1002 (-4.7A)
BVP  A1001 (-3.4A)
1PE  A1002 (-3.8A)
 1.10A 1ju6A-4xscA:
40.0		 1ju6A-4xscA:
65.18
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.
5abm RETINAL
DEHYDROGENASE 1

(Ovis aries) 		PF00171
(Aldedh) 		5 ILE A 276
ASN A 421
ASP A 414
LEU A 413
PHE A 410
 None
 1.11A 1ju6A-5abmA:
undetectable		 1ju6A-5abmA:
18.91
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 PHE A  74
ASP A 212
GLY A 216
PHE A 219
TYR A 252
 None
None
UMP  A 401 (-3.5A)
DTT  A 402 ( 4.1A)
UMP  A 401 (-4.6A)
 0.85A 1ju6A-5by6A:
41.8		 1ju6A-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 PHE A  74
ASP A 212
LEU A 215
GLY A 216
TYR A 252
 None
None
None
UMP  A 401 (-3.5A)
UMP  A 401 (-4.6A)
 0.52A 1ju6A-5by6A:
41.8		 1ju6A-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 PHE A  74
ILE A 102
ASN A 106
GLY A 216
PHE A 219
 None
DTT  A 402 ( 4.3A)
None
UMP  A 401 (-3.5A)
DTT  A 402 ( 4.1A)
 1.12A 1ju6A-5by6A:
41.8		 1ju6A-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 PHE A  74
ILE A 102
GLY A 216
PHE A 219
TYR A 252
 None
DTT  A 402 ( 4.3A)
UMP  A 401 (-3.5A)
DTT  A 402 ( 4.1A)
UMP  A 401 (-4.6A)
 1.05A 1ju6A-5by6A:
41.8		 1ju6A-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 PHE A  74
ILE A 102
TRP A 103
ASN A 106
PHE A 219
 None
DTT  A 402 ( 4.3A)
DTT  A 402 ( 4.1A)
None
DTT  A 402 ( 4.1A)
 0.74A 1ju6A-5by6A:
41.8		 1ju6A-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 1ju6A-5es2A:
undetectable		 1ju6A-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
ASN A 136
GLY A 246
PHE A 249
 D16  A 401 (-3.6A)
D16  A 401 ( 4.0A)
None
D16  A 401 ( 3.2A)
D16  A 401 (-3.4A)
 1.17A 1ju6A-5h3aA:
42.3		 1ju6A-5h3aA:
71.73
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 PHE A 104
ILE A 132
ASP A 242
GLY A 246
PHE A 249
TYR A 282
 D16  A 401 (-3.6A)
D16  A 401 ( 4.0A)
D16  A 401 ( 4.0A)
D16  A 401 ( 3.2A)
D16  A 401 (-3.4A)
UMP  A 402 (-4.5A)
 0.95A 1ju6A-5h3aA:
42.3		 1ju6A-5h3aA:
71.73
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
TRP A 133
ASN A 136
PHE A 249
 D16  A 401 (-3.6A)
D16  A 401 ( 4.0A)
None
None
D16  A 401 (-3.4A)
 0.86A 1ju6A-5h3aA:
42.3		 1ju6A-5h3aA:
71.73
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.
5ify GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Burkholderia
vietnamiensis) 		PF00483
(NTP_transferase) 		5 PHE A 135
ASP A 110
LEU A 108
PHE A 113
ALA A   9
 None
TRH  A 500 (-2.9A)
TRH  A 500 ( 4.2A)
None
None
 1.39A 1ju6A-5ifyA:
undetectable		 1ju6A-5ifyA:
20.00
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 ASP A 220
LEU A 223
GLY A 224
PHE A 227
TYR A 260
 None
 0.89A 1ju6A-5j7wA:
34.4		 1ju6A-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.
5ja1 ENTEROBACTIN
SYNTHASE COMPONENT F

(Escherichia
coli) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		5 ASP A 377
GLY A 346
PHE A 345
TYR A 401
ALA A 396
 None
 1.35A 1ju6A-5ja1A:
undetectable		 1ju6A-5ja1A:
13.30
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.
5k8f ACETYL-COENZYME A
SYNTHETASE

(Cryptococcus
neoformans) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		5 PHE A 523
ILE A 500
ASP A  93
GLY A  88
PHE A  89
 None
 1.40A 1ju6A-5k8fA:
undetectable		 1ju6A-5k8fA:
18.12
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.
5min QUINOPROTEIN GLUCOSE
DEHYDROGENASE B

(Acinetobacter
calcoaceticus) 		no annotation 5 PHE A  84
ILE A  94
LEU A 149
GLY A  81
PHE A  82
 None
 1.33A 1ju6A-5minA:
undetectable		 1ju6A-5minA:
11.80
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.
5nuq PROBABLE
PHOSPHOLIPID-BINDING
LIPOPROTEIN MLAA

(Serratia
marcescens) 		no annotation 5 ASN G 210
ASP G 144
GLY G 118
PHE G 117
TYR G 128
 None
 1.35A 1ju6A-5nuqG:
undetectable		 1ju6A-5nuqG:
20.67
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.
5ojs TRANSCRIPTION-ASSOCI
ATED PROTEIN 1

(Saccharomyces
cerevisiae) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT) 		5 ASN T3010
ASP T3004
LEU T3003
GLY T3002
PHE T3029
 None
 1.41A 1ju6A-5ojsT:
undetectable		 1ju6A-5ojsT:
6.00
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 PHE A 374
ILE A 402
TRP A 403
ASN A 406
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
MET A 608
ALA A 609
 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)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.6A)
CB3  A 703 (-3.8A)
 0.67A 1ju6A-5t0lA:
44.8		 1ju6A-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.
5tlc DIBENZOTHIOPHENE
DESULFURIZATION
ENZYME A

(Bacillus
subtilis) 		PF00296
(Bac_luciferase) 		5 PHE A  52
LEU A 103
GLY A 104
MET A  94
ALA A  92
 None
 1.28A 1ju6A-5tlcA:
undetectable		 1ju6A-5tlcA:
20.73
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.
5vm9 PROTEIN ARGONAUTE-3

(Homo sapiens) 		no annotation 5 ILE A 519
ASP A 538
GLY A 537
PHE A 506
TYR A 858
 None
 1.37A 1ju6A-5vm9A:
undetectable		 1ju6A-5vm9A:
16.00
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.
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 1ju6A-5vztB:
undetectable		 1ju6A-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.
6c80 CYTOKININ OXIDASE
LUCKX1.1

(Linum
usitatissimum) 		no annotation 5 ILE A 473
ASP A 393
LEU A 477
GLY A 478
PHE A 479
 None
 1.35A 1ju6A-6c80A:
undetectable		 1ju6A-6c80A:
14.88
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 ILE A  79
ASP A 169
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 CB3  A 701 (-3.9A)
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 0.84A 1ju6A-6cdzA:
37.6		 1ju6A-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.
6ekv TOXIN COMPLEX
COMPONENT ORF-X2

(Clostridium
botulinum) 		no annotation 5 PHE A 146
ILE A 153
ASN A 158
PHE A 118
TYR A  10
 None
 1.26A 1ju6A-6ekvA:
undetectable		 1ju6A-6ekvA:
16.53
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 1ju6A-6etiA:
undetectable		 1ju6A-6etiA:
14.67