SIMILAR PATTERNS OF AMINO ACIDS FOR 1JU6_C_LYAC315

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.
1am5 PEPSIN

(Gadus morhua) 		PF00026
(Asp) 		5 ASP A 303
LEU A 306
GLY A 302
PHE A 301
TYR A  14
 None
 1.27A 1ju6C-1am5A:
0.0		 1ju6C-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) 		8 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 (-3.8A)
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)
 0.74A 1ju6C-1ci7A:
43.3		 1ju6C-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 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)
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)
 0.79A 1ju6C-1ci7A:
43.3		 1ju6C-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 1ju6C-1e5dA:
0.0		 1ju6C-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) 		10 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 ( 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)
 0.81A 1ju6C-1hvyA:
46.8		 1ju6C-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 1ju6C-1ig0A:
0.0		 1ju6C-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)
 0.93A 1ju6C-1j3jC:
40.4		 1ju6C-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 1ju6C-1j3jC:
40.4		 1ju6C-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 1ju6C-1ms8A:
0.0		 1ju6C-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 1ju6C-1o9jA:
0.2		 1ju6C-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.
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 1ju6C-1qgjA:
0.0		 1ju6C-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 1ju6C-1sb3A:
undetectable		 1ju6C-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 1ju6C-1ub7A:
undetectable		 1ju6C-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.
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
 1.47A 1ju6C-1ud3A:
undetectable		 1ju6C-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.
1zkl HIGH-AFFINITY
CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 7A

(Homo sapiens) 		PF00233
(PDEase_I) 		5 ILE A 158
ASN A 365
PHE A 156
TYR A 227
ALA A 361
 None
IBM  A 503 ( 4.7A)
None
None
None
 1.24A 1ju6C-1zklA:
undetectable		 1ju6C-1zklA:
20.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2aaz THYMIDYLATE SYNTHASE

(Cryptococcus
neoformans) 		PF00303
(Thymidylat_synt) 		9 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 (-3.6A)
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 1ju6C-2aazA:
undetectable		 1ju6C-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.
2cb1 O-ACETYL HOMOSERINE
SULFHYDRYLASE

(Thermus
thermophilus) 		PF01053
(Cys_Met_Meta_PP) 		5 ILE A 330
LEU A 185
GLY A 180
PHE A 179
ALA A 284
 None
 1.47A 1ju6C-2cb1A:
undetectable		 1ju6C-2cb1A:
24.29
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.
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 1ju6C-2fffB:
undetectable		 1ju6C-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) 		6 ILE A 316
ASN A 320
ASP A 426
GLY A 430
PHE A 433
TYR A 466
 None
None
None
DU  A 611 (-3.5A)
None
DU  A 611 (-4.6A)
 0.88A 1ju6C-2h2qA:
39.6		 1ju6C-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 ILE A 316
ASP A 426
LEU A 429
GLY A 430
PHE A 433
TYR A 466
 None
None
None
DU  A 611 (-3.5A)
None
DU  A 611 (-4.6A)
 0.89A 1ju6C-2h2qA:
39.6		 1ju6C-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 ILE A 316
TRP A 317
ASN A 320
PHE A 433
TYR A 466
 None
None
None
None
DU  A 611 (-4.6A)
 0.81A 1ju6C-2h2qA:
39.6		 1ju6C-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 1ju6C-2jchA:
undetectable		 1ju6C-2jchA:
17.29
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.
2l5p LIPOCALIN 12

(Rattus
norvegicus) 		PF00061
(Lipocalin) 		5 ILE A 175
LEU A 159
GLY A  57
PHE A 190
ALA A 141
 None
 1.49A 1ju6C-2l5pA:
undetectable		 1ju6C-2l5pA:
22.22
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 1ju6C-2oipA:
44.1		 1ju6C-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
 1.14A 1ju6C-2qgmA:
undetectable		 1ju6C-2qgmA:
19.11
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 1ju6C-2tddA:
34.5		 1ju6C-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.
2wpt COLICIN-E2 IMMUNITY
PROTEIN

(Escherichia
coli) 		PF01320
(Colicin_Pyocin) 		5 ILE A  71
ASN A  78
ASP A  48
GLY A  49
PHE A  40
 None
 1.41A 1ju6C-2wptA:
undetectable		 1ju6C-2wptA:
13.23
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.40A 1ju6C-3d54D:
undetectable		 1ju6C-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.
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 1ju6C-3eo3A:
undetectable		 1ju6C-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.
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
 1.41A 1ju6C-3gcfA:
undetectable		 1ju6C-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
 1.44A 1ju6C-3gkqA:
undetectable		 1ju6C-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
 1.49A 1ju6C-3h0gB:
undetectable		 1ju6C-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.
3ik2 ENDOGLUCANASE A

(Clostridium
acetobutylicum) 		PF12891
(Glyco_hydro_44) 		5 ASP A 205
LEU A 177
GLY A 223
PHE A 222
ALA A 105
 None
 1.49A 1ju6C-3ik2A:
undetectable		 1ju6C-3ik2A:
21.12
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 1ju6C-3ix6A:
32.9		 1ju6C-3ix6A:
44.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kgb THYMIDYLATE SYNTHASE
1/2

(Encephalitozoon
cuniculi) 		PF00303
(Thymidylat_synt) 		5 ASP A 197
LEU A 200
GLY A 201
PHE A 204
TYR A 237
 None
 1.06A 1ju6C-3kgbA:
36.3		 1ju6C-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)
 0.54A 1ju6C-3kjrA:
44.6		 1ju6C-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.
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)
 0.88A 1ju6C-3um6A:
40.6		 1ju6C-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 1ju6C-3um6A:
40.6		 1ju6C-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 1ju6C-3v8hA:
34.6		 1ju6C-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.
3vup BETA-1,4-MANNANASE

(Aplysia kurodai) 		PF00150
(Cellulase) 		5 ILE A  63
ASP A  34
GLY A  33
PHE A  32
ALA A  72
 None
 1.44A 1ju6C-3vupA:
undetectable		 1ju6C-3vupA:
22.47
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 1ju6C-4fogA:
38.1		 1ju6C-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 1ju6C-4h0uA:
35.9		 1ju6C-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 1ju6C-4ikvA:
undetectable		 1ju6C-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)
 1.04A 1ju6C-4iqqA:
41.8		 1ju6C-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 1ju6C-4iqqA:
41.8		 1ju6C-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 1ju6C-4krfA:
undetectable		 1ju6C-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 1ju6C-4m5bA:
undetectable		 1ju6C-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.
4mt0 MTRE PROTEIN

(Neisseria
gonorrhoeae) 		PF02321
(OEP) 		5 ASP A 422
LEU A 421
GLY A 419
PHE A 210
ALA A 426
 None
 1.49A 1ju6C-4mt0A:
undetectable		 1ju6C-4mt0A:
22.74
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.49A 1ju6C-4okmA:
undetectable		 1ju6C-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.
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
 1.39A 1ju6C-4p6vC:
undetectable		 1ju6C-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.
4q1z PUTATIVE LIPOPROTEIN

(Bacteroides
thetaiotaomicron) 		PF16215
(DUF4876) 		5 ILE A 196
ASN A 396
GLY A 217
PHE A 130
ALA A 235
 None
 1.45A 1ju6C-4q1zA:
undetectable		 1ju6C-4q1zA:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 1ju6C-4rt6A:
undetectable		 1ju6C-4rt6A:
16.16
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.
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 1ju6C-4x0oA:
undetectable		 1ju6C-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) 		5 ILE A  96
ASP A 206
GLY A 210
PHE A 213
TYR A 246
 1PE  A1002 (-4.6A)
None
BVP  A1001 (-3.4A)
1PE  A1002 (-3.8A)
BVP  A1001 (-4.5A)
 0.89A 1ju6C-4xscA:
40.0		 1ju6C-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 ILE A  96
ASP A 206
LEU A 209
GLY A 210
TYR A 246
 1PE  A1002 (-4.6A)
None
None
BVP  A1001 (-3.4A)
BVP  A1001 (-4.5A)
 0.54A 1ju6C-4xscA:
40.0		 1ju6C-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 1ju6C-5abmA:
undetectable		 1ju6C-5abmA:
18.91
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
ASP A 242
GLY A 246
PHE A 249
TYR A 282
 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)
 0.96A 1ju6C-5h3aA:
42.3		 1ju6C-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.
5h8k N-CARBAMOYLPUTRESCIN
E AMIDOHYDROLASE

(Medicago
truncatula) 		PF00795
(CN_hydrolase) 		5 ILE A 153
LEU A 178
PHE A 179
MET A 170
ALA A 169
 None
 1.44A 1ju6C-5h8kA:
undetectable		 1ju6C-5h8kA:
22.32
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 1ju6C-5j7wA:
34.5		 1ju6C-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 1ju6C-5ja1A:
undetectable		 1ju6C-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.
5jy9 PUTATIVE SALICYLATE
SYNTHETASE

(Yersinia
enterocolitica) 		PF00425
(Chorismate_bind) 		5 ILE A  76
ASN A  54
GLY A  99
PHE A 102
ALA A 113
 None
 1.42A 1ju6C-5jy9A:
undetectable		 1ju6C-5jy9A:
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.
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 1ju6C-5lubB:
undetectable		 1ju6C-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.
5mpd 26S PROTEASOME
REGULATORY SUBUNIT
RPN9

(Saccharomyces
cerevisiae) 		PF01399
(PCI) 		5 ASN O 117
ASP O 124
LEU O  76
GLY O 125
PHE O 106
 None
 1.49A 1ju6C-5mpdO:
undetectable		 1ju6C-5mpdO:
21.28
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.
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 1ju6C-5nuqG:
undetectable		 1ju6C-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 1ju6C-5ojsT:
undetectable		 1ju6C-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) 		10 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
 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)
 0.69A 1ju6C-5t0lA:
44.8		 1ju6C-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 1ju6C-5th3A:
undetectable		 1ju6C-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.
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 1ju6C-5vm9A:
undetectable		 1ju6C-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.
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
 1.47A 1ju6C-5zbiA:
undetectable		 1ju6C-5zbiA:
13.93
Potential target for repurposing, i.e. matched protein structure has less than 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 1ju6C-6c80A:
undetectable		 1ju6C-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 1ju6C-6cdzA:
37.6		 1ju6C-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
 1.28A 1ju6C-6etiA:
undetectable		 1ju6C-6etiA:
14.67