SIMILAR PATTERNS OF AMINO ACIDS FOR 3RUK_A_AERA601_1

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.
1efp PROTEIN (ELECTRON
TRANSFER
FLAVOPROTEIN)

(Paracoccus
denitrificans) 		PF00766
(ETF_alpha)
PF01012
(ETF) 		5 PHE A 145
LEU A  29
ALA A  22
VAL A  34
VAL A   3
 None
 1.02A 3rukA-1efpA:
undetectable		 3rukA-1efpA:
21.64
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.
1ex9 LACTONIZING LIPASE

(Pseudomonas
aeruginosa) 		PF00561
(Abhydrolase_1) 		5 ILE A  31
LEU A  35
ALA A  13
THR A  45
VAL A  42
 None
 0.74A 3rukA-1ex9A:
undetectable		 3rukA-1ex9A:
21.26
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.
1gy9 ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE

(Escherichia
coli) 		PF02668
(TauD) 		5 ALA A 246
PHE A  46
LEU A  10
THR A 253
VAL A 236
 None
 1.08A 3rukA-1gy9A:
undetectable		 3rukA-1gy9A:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kwg BETA-GALACTOSIDASE

(Thermus
thermophilus) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		5 TYR A   6
ILE A  33
LEU A  69
ALA A  58
VAL A 133
 CL  A 801 (-4.9A)
None
None
None
None
 1.03A 3rukA-1kwgA:
undetectable		 3rukA-1kwgA:
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.
1kwg BETA-GALACTOSIDASE

(Thermus
thermophilus) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		5 TYR A   6
ILE A  33
LEU A  69
ALA A  61
VAL A 133
 CL  A 801 (-4.9A)
None
None
None
None
 0.93A 3rukA-1kwgA:
undetectable		 3rukA-1kwgA:
21.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nr6 CYTOCHROME P450 2C5

(Oryctolagus
cuniculus) 		PF00067
(p450) 		6 ALA A 113
PHE A 114
ASP A 290
ALA A 294
THR A 298
CYH A 432
 DIF  A 501 (-3.6A)
DIF  A 501 (-4.5A)
None
DIF  A 501 ( 3.3A)
HEM  A 500 ( 3.6A)
HEM  A 500 (-2.3A)
 0.70A 3rukA-1nr6A:
44.2		 3rukA-1nr6A:
32.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nr6 CYTOCHROME P450 2C5

(Oryctolagus
cuniculus) 		PF00067
(p450) 		6 ALA A 113
PHE A 114
ASP A 290
ALA A 294
THR A 298
VAL A 474
 DIF  A 501 (-3.6A)
DIF  A 501 (-4.5A)
None
DIF  A 501 ( 3.3A)
HEM  A 500 ( 3.6A)
None
 1.23A 3rukA-1nr6A:
44.2		 3rukA-1nr6A:
32.81
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.
1pek PROTEINASE K

(Parengyodontium
album) 		PF00082
(Peptidase_S8) 		5 ILE E  38
LEU E 131
ASP E 112
ALA E 115
VAL E 155
 None
 0.96A 3rukA-1pekE:
undetectable		 3rukA-1pekE:
19.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q5m PROSTAGLANDIN-E2
9-REDUCTASE

(Oryctolagus
cuniculus) 		PF00248
(Aldo_ket_red) 		5 ALA A 269
LEU A 261
ALA A 253
THR A 251
VAL A 283
 None
None
NDP  A1003 (-3.3A)
None
None
 0.96A 3rukA-1q5mA:
undetectable		 3rukA-1q5mA:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sfr ANTIGEN 85-A

(Mycobacterium
tuberculosis) 		PF00756
(Esterase) 		6 ALA A 243
PHE A 240
ASN A 203
ILE A 137
LEU A 133
VAL A 207
 None
 1.47A 3rukA-1sfrA:
undetectable		 3rukA-1sfrA:
21.06
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.
1vl8 GLUCONATE
5-DEHYDROGENASE

(Thermotoga
maritima) 		PF13561
(adh_short_C2) 		5 ASN A 186
ILE A 246
ALA A 234
VAL A  14
CYH A  34
 None
 1.07A 3rukA-1vl8A:
undetectable		 3rukA-1vl8A:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wcx UROPORPHYRINOGEN III
SYNTHASE

(Thermus
thermophilus) 		PF02602
(HEM4) 		5 PHE A 199
LEU A 229
ALA A 211
THR A 214
VAL A 234
 None
 0.95A 3rukA-1wcxA:
undetectable		 3rukA-1wcxA:
20.16
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.
1wwk PHOSPHOGLYCERATE
DEHYDROGENASE

(Pyrococcus
horikoshii) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 ALA A  68
ILE A  14
LEU A  17
VAL A  39
VAL A   3
 None
 1.08A 3rukA-1wwkA:
undetectable		 3rukA-1wwkA:
21.44
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.
1yjg SURFACE PROTEIN VSPA

(Borrelia
turicatae) 		PF01441
(Lipoprotein_6) 		5 ALA A 168
ASN A  91
ILE A  95
LEU A 147
ALA A 155
 None
 1.08A 3rukA-1yjgA:
undetectable		 3rukA-1yjgA:
16.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2aco OUTER MEMBRANE
LIPOPROTEIN BLC

(Escherichia
coli) 		PF08212
(Lipocalin_2) 		5 ALA A 159
PHE A 164
ALA A 120
THR A  14
VAL A  28
 None
 0.99A 3rukA-2acoA:
undetectable		 3rukA-2acoA:
15.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c3o PYRUVATE-FERREDOXIN
OXIDOREDUCTASE

(Desulfovibrio
africanus) 		PF01558
(POR)
PF01855
(POR_N)
PF02775
(TPP_enzyme_C)
PF10371
(EKR)
PF13484
(Fer4_16)
PF17147
(PFOR_II) 		5 ALA A1056
TYR A 967
LEU A 978
ALA A1038
VAL A1035
 None
 1.00A 3rukA-2c3oA:
undetectable		 3rukA-2c3oA:
16.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eg3 PROBABLE THIOSULFATE
SULFURTRANSFERASE

(Thermus
thermophilus) 		PF00581
(Rhodanese) 		5 ALA A 164
LEU A 181
ALA A 200
CYH A 191
VAL A 187
 None
 1.06A 3rukA-2eg3A:
undetectable		 3rukA-2eg3A:
17.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f9q CYTOCHROME P450 2D6

(Homo sapiens) 		PF00067
(p450) 		5 ASP A 301
ALA A 305
THR A 309
VAL A 370
CYH A 443
 None
HEM  A 600 (-3.6A)
HEM  A 600 (-3.5A)
HEM  A 600 ( 4.9A)
HEM  A 600 (-2.4A)
 0.93A 3rukA-2f9qA:
43.6		 3rukA-2f9qA:
29.88
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.
2fvl ALDO-KETO REDUCTASE
FAMILY 1, MEMBER C4

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		5 ALA A 269
LEU A 261
ALA A 253
THR A 251
VAL A 283
 NAP  A1001 ( 4.9A)
None
NAP  A1001 (-3.4A)
None
None
 0.96A 3rukA-2fvlA:
undetectable		 3rukA-2fvlA:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gmn METALLO-BETA-LACTAMA
SE

(Bradyrhizobium
diazoefficiens) 		PF00753
(Lactamase_B) 		5 ILE A  67
LEU A  96
ALA A 171
THR A 182
VAL A 122
 None
 0.97A 3rukA-2gmnA:
undetectable		 3rukA-2gmnA:
21.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hi4 CYTOCHROME P450 1A2

(Homo sapiens) 		PF00067
(p450) 		5 PHE A 125
ASP A 313
ALA A 317
THR A 321
CYH A 458
 None
BHF  A 800 (-3.9A)
HEM  A 900 ( 3.5A)
HEM  A 900 ( 3.1A)
HEM  A 900 (-2.3A)
 0.75A 3rukA-2hi4A:
41.7		 3rukA-2hi4A:
32.31
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.
2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		5 ALA A 269
LEU A 261
ALA A 253
THR A 251
VAL A 283
 NAP  A   1 ( 4.8A)
None
NAP  A   1 (-3.5A)
None
None
 0.92A 3rukA-2ipjA:
undetectable		 3rukA-2ipjA:
22.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ja9 EXOSOME COMPLEX
EXONUCLEASE RRP40

(Saccharomyces
cerevisiae) 		PF15985
(KH_6) 		5 ALA A 101
PHE A 102
LEU A 113
VAL A  72
VAL A 119
 None
 0.97A 3rukA-2ja9A:
undetectable		 3rukA-2ja9A:
18.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2l4v CYSTATIN

(Ananas comosus) 		PF16845
(SQAPI) 		5 ALA A 113
PHE A 129
LEU A  78
ALA A  63
VAL A 102
 None
 0.95A 3rukA-2l4vA:
undetectable		 3rukA-2l4vA:
14.58
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.
2oce HYPOTHETICAL PROTEIN
PA5201

(Pseudomonas
aeruginosa) 		PF00575
(S1)
PF09371
(Tex_N)
PF12836
(HHH_3)
PF16921
(Tex_YqgF) 		5 ASN A   5
ILE A   8
LEU A  12
ALA A  27
VAL A  20
 None
 0.92A 3rukA-2oceA:
undetectable		 3rukA-2oceA:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ok3 PEPTIDYL-PROLYL
CIS-TRANS
ISOMERASE-LIKE 3

(Homo sapiens) 		PF00160
(Pro_isomerase) 		6 PHE A  28
ASN A  38
ILE A 149
LEU A   5
ALA A  33
VAL A   3
 None
 1.48A 3rukA-2ok3A:
undetectable		 3rukA-2ok3A:
15.31
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.
2owo DNA LIGASE

(Escherichia
coli) 		PF01653
(DNA_ligase_aden)
PF03119
(DNA_ligase_ZBD)
PF03120
(DNA_ligase_OB)
PF12826
(HHH_2)
PF14520
(HHH_5) 		5 PHE A 443
ILE A 573
LEU A 576
THR A 507
VAL A 581
 None
None
None
SO4  A 674 ( 4.1A)
None
 0.98A 3rukA-2owoA:
undetectable		 3rukA-2owoA:
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.
2r79 PERIPLASMIC BINDING
PROTEIN

(Pseudomonas
aeruginosa) 		PF01497
(Peripla_BP_2) 		5 ALA A 198
PHE A 284
LEU A 258
VAL A 182
VAL A 224
 None
 1.01A 3rukA-2r79A:
undetectable		 3rukA-2r79A:
21.16
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.
2rld UNCHARACTERIZED
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF05635
(23S_rRNA_IVP) 		5 TYR A  96
ASN A 100
ILE A  99
ALA A  75
VAL A  10
 None
 1.06A 3rukA-2rldA:
undetectable		 3rukA-2rldA:
12.65
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.
2vpq ACETYL-COA
CARBOXYLASE

(Staphylococcus
aureus) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 ALA A 241
TYR A 323
ILE A 328
THR A 272
CYH A 228
 None
 1.01A 3rukA-2vpqA:
undetectable		 3rukA-2vpqA:
22.66
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.
2wgr GLUTATHIONE
PEROXIDASE

(Schistosoma
mansoni) 		PF00255
(GSHPx) 		5 PHE A  70
ILE A  11
LEU A 114
VAL A  22
VAL A  16
 None
 1.02A 3rukA-2wgrA:
undetectable		 3rukA-2wgrA:
17.89
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.
2z3t CYTOCHROME P450

(Streptomyces
sp. TP-A0274) 		PF00067
(p450) 		5 PHE A 100
ALA A 254
THR A 258
VAL A 301
CYH A 364
 None
HEM  A 500 ( 3.4A)
HEM  A 500 ( 3.4A)
HEM  A 500 ( 4.9A)
HEM  A 500 (-2.5A)
 1.03A 3rukA-2z3tA:
31.5		 3rukA-2z3tA:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b46 AMINOTRANSFERASE
BNA3

(Saccharomyces
cerevisiae) 		PF00155
(Aminotran_1_2) 		5 ALA A 297
ILE A 235
LEU A 264
CYH A 302
VAL A 283
 None
 0.84A 3rukA-3b46A:
undetectable		 3rukA-3b46A:
23.18
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.
3ccf CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE

(Trichormus
variabilis) 		PF08241
(Methyltransf_11) 		5 ALA A 214
PHE A 215
TYR A 249
ILE A 141
LEU A 145
 None
None
BEZ  A 261 (-4.2A)
None
None
 0.99A 3rukA-3ccfA:
undetectable		 3rukA-3ccfA:
20.53
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.
3d8n UROPORPHYRINOGEN-III
SYNTHASE

(Thermus
thermophilus) 		PF02602
(HEM4) 		5 PHE A 191
LEU A 221
ALA A 203
THR A 206
VAL A 226
 None
 1.01A 3rukA-3d8nA:
undetectable		 3rukA-3d8nA:
22.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3e4e CYTOCHROME P450 2E1

(Homo sapiens) 		PF00067
(p450) 		6 PHE A 116
ASP A 295
ALA A 299
THR A 303
VAL A 364
CYH A 437
 None
None
HEM  A 500 ( 3.3A)
4PZ  A 501 ( 2.8A)
HEM  A 500 ( 4.4A)
HEM  A 500 ( 1.6A)
 1.10A 3rukA-3e4eA:
43.4		 3rukA-3e4eA:
31.76
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.
3ima CYSTEINE PROTEINASE
INHIBITOR

(Colocasia
esculenta) 		PF16845
(SQAPI) 		5 ALA B  73
PHE B  89
LEU B  38
ALA B  23
VAL B  62
 None
 1.06A 3rukA-3imaB:
undetectable		 3rukA-3imaB:
10.41
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.
3m5u PHOSPHOSERINE
AMINOTRANSFERASE

(Campylobacter
jejuni) 		PF00266
(Aminotran_5) 		5 ASN A 244
ILE A 240
LEU A 198
ALA A  56
VAL A 189
 None
 1.01A 3rukA-3m5uA:
undetectable		 3rukA-3m5uA:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pm0 CYTOCHROME P450 1B1

(Homo sapiens) 		PF00067
(p450) 		6 ALA A 133
ASP A 326
ALA A 330
THR A 334
VAL A 395
CYH A 470
 HEM  A 900 (-3.3A)
BHF  A 800 (-3.4A)
HEM  A 900 ( 3.4A)
HEM  A 900 ( 3.2A)
HEM  A 900 (-4.6A)
HEM  A 900 (-2.3A)
 0.75A 3rukA-3pm0A:
41.4		 3rukA-3pm0A:
29.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pm0 CYTOCHROME P450 1B1

(Homo sapiens) 		PF00067
(p450) 		5 ALA A 133
PHE A 134
ASN A 228
ALA A 330
CYH A 470
 HEM  A 900 (-3.3A)
BHF  A 800 (-4.8A)
BHF  A 800 (-4.2A)
HEM  A 900 ( 3.4A)
HEM  A 900 (-2.3A)
 0.92A 3rukA-3pm0A:
41.4		 3rukA-3pm0A:
29.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pm0 CYTOCHROME P450 1B1

(Homo sapiens) 		PF00067
(p450) 		6 ALA A 133
PHE A 134
ASP A 326
ALA A 330
THR A 334
CYH A 470
 HEM  A 900 (-3.3A)
BHF  A 800 (-4.8A)
BHF  A 800 (-3.4A)
HEM  A 900 ( 3.4A)
HEM  A 900 ( 3.2A)
HEM  A 900 (-2.3A)
 0.54A 3rukA-3pm0A:
41.4		 3rukA-3pm0A:
29.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pu5 EXTRACELLULAR
SOLUTE-BINDING
PROTEIN

(Bordetella
parapertussis) 		PF13416
(SBP_bac_8) 		5 ALA A 107
TYR A 135
LEU A 117
ALA A 282
VAL A 114
 ALA  A 107 ( 0.0A)
TYR  A 135 ( 1.3A)
LEU  A 117 ( 0.6A)
ALA  A 282 ( 0.0A)
VAL  A 114 ( 0.6A)
 1.04A 3rukA-3pu5A:
undetectable		 3rukA-3pu5A:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r1j ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE

(Mycobacterium
avium) 		PF02668
(TauD) 		5 ALA A 244
PHE A  46
LEU A  10
THR A 251
VAL A 234
 None
 1.05A 3rukA-3r1jA:
undetectable		 3rukA-3r1jA:
19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r4t 4-AMINOBUTYRATE
AMINOTRANSFERASE
GABT

(Mycobacterium
marinum) 		PF00202
(Aminotran_3) 		5 ALA A 294
ILE A 111
LEU A 108
ALA A 333
VAL A 104
 None
 1.07A 3rukA-3r4tA:
undetectable		 3rukA-3r4tA:
20.23
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.
3tha TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Campylobacter
jejuni) 		PF00290
(Trp_syntA) 		5 ALA A 109
PHE A 105
LEU A  96
CYH A 115
VAL A  92
 None
 1.04A 3rukA-3thaA:
undetectable		 3rukA-3thaA:
19.78
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.
3tr9 DIHYDROPTEROATE
SYNTHASE

(Coxiella
burnetii) 		PF00809
(Pterin_bind) 		5 ILE A  97
LEU A  93
ASP A  67
THR A  54
VAL A  36
 None
 1.06A 3rukA-3tr9A:
undetectable		 3rukA-3tr9A:
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.
3vk9 GLUTATHIONE
S-TRANSFERASE DELTA

(Bombyx mori) 		PF13417
(GST_N_3)
PF14497
(GST_C_3) 		5 LEU A   5
ALA A  69
THR A  72
VAL A 156
VAL A  17
 None
 0.95A 3rukA-3vk9A:
undetectable		 3rukA-3vk9A:
17.30
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.
3voq TARGET OF RAPAMYCIN
COMPLEX 2 SUBUNIT
MAPKAP1

(Homo sapiens) 		PF16979
(SIN1_PH) 		5 PHE A 453
ILE A 411
LEU A 402
THR A 397
VAL A 388
 None
 0.95A 3rukA-3voqA:
undetectable		 3rukA-3voqA:
15.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d72 GLYCOSIDE HYDROLASE

(Streptococcus
pneumoniae) 		PF08306
(Glyco_hydro_98M)
PF08307
(Glyco_hydro_98C) 		5 PHE A 821
TYR A 782
LEU A 831
ALA A 792
VAL A 754
 None
 0.99A 3rukA-4d72A:
undetectable		 3rukA-4d72A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e8e GLUTATHIONE
S-TRANSFERASE

(Bombyx mori) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		5 LEU A   8
ALA A  72
THR A  75
VAL A 159
VAL A  20
 None
 0.90A 3rukA-4e8eA:
undetectable		 3rukA-4e8eA:
17.93
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.
4ei8 PLASMID REPLICATION
PROTEIN REPX

(Bacillus cereus) 		PF00091
(Tubulin) 		5 ALA A 215
ILE A 243
LEU A 249
THR A 118
VAL A 181
 None
 1.05A 3rukA-4ei8A:
undetectable		 3rukA-4ei8A:
22.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ejs ELONGATOR COMPLEX
PROTEIN 5
ELONGATOR COMPLEX
PROTEIN 6

(Saccharomyces
cerevisiae) 		PF10483
(Elong_Iki1)
no annotation 		5 ALA C 243
ASN C 167
ILE C 171
LEU C 175
VAL B  63
 None
 1.05A 3rukA-4ejsC:
undetectable		 3rukA-4ejsC:
20.54
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.
4ggp TRANS-2-ENOYL-COA
REDUCTASE

(Treponema
denticola) 		PF07055
(Eno-Rase_FAD_bd)
PF12241
(Enoyl_reductase)
PF12242
(Eno-Rase_NADH_b) 		5 ILE A 224
LEU A 226
ALA A  66
THR A  74
VAL A 141
 None
 1.03A 3rukA-4ggpA:
undetectable		 3rukA-4ggpA:
23.30
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.
4glx DNA LIGASE

(Escherichia
coli) 		PF01653
(DNA_ligase_aden)
PF03119
(DNA_ligase_ZBD)
PF03120
(DNA_ligase_OB)
PF12826
(HHH_2)
PF14520
(HHH_5) 		5 PHE A 443
ILE A 573
LEU A 576
THR A 507
VAL A 581
 None
None
None
SO4  A 602 ( 3.9A)
None
 0.99A 3rukA-4glxA:
undetectable		 3rukA-4glxA:
21.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4i8v CYTOCHROME P450 1A1

(Homo sapiens) 		PF00067
(p450) 		5 ASP A 313
ALA A 317
THR A 321
VAL A 382
CYH A 457
 BHF  A 602 (-3.7A)
BHF  A 602 ( 3.4A)
HEM  A 601 (-3.4A)
HEM  A 601 (-4.9A)
HEM  A 601 (-2.1A)
 0.77A 3rukA-4i8vA:
42.5		 3rukA-4i8vA:
33.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4i8v CYTOCHROME P450 1A1

(Homo sapiens) 		PF00067
(p450) 		5 PHE A 123
ASP A 313
ALA A 317
THR A 321
CYH A 457
 None
BHF  A 602 (-3.7A)
BHF  A 602 ( 3.4A)
HEM  A 601 (-3.4A)
HEM  A 601 (-2.1A)
 0.63A 3rukA-4i8vA:
42.5		 3rukA-4i8vA:
33.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i99 CHROMOSOME PARTITION
PROTEIN SMC

(Pyrococcus
furiosus) 		PF02463
(SMC_N) 		5 ASN A  41
ILE A  42
LEU A   7
VAL A 106
VAL A  82
 None
 1.02A 3rukA-4i99A:
undetectable		 3rukA-4i99A:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4im4 ENDOGLUCANASE E

(Ruminiclostridium
thermocellum) 		PF00150
(Cellulase) 		5 PHE A 317
TYR A 374
ILE A 377
LEU A 381
VAL A 103
 None
 1.07A 3rukA-4im4A:
undetectable		 3rukA-4im4A:
20.74
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.
4j5i ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE

(Mycolicibacterium
smegmatis) 		PF02668
(TauD) 		5 ALA A 239
PHE A  45
LEU A   9
THR A 246
VAL A 229
 None
 1.02A 3rukA-4j5iA:
undetectable		 3rukA-4j5iA:
20.53
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.
4jb3 HALOACID
DEHALOGENASE-LIKE
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF13419
(HAD_2) 		5 ALA A 118
PHE A 123
ILE A  95
LEU A  92
VAL A  87
 None
 1.03A 3rukA-4jb3A:
undetectable		 3rukA-4jb3A:
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.
4k3j HEPATOCYTE GROWTH
FACTOR BETA CHAIN

(Homo sapiens) 		PF01403
(Sema)
PF01437
(PSI) 		5 PHE B 434
ILE B 442
LEU B 455
ASP B 428
VAL B 465
 None
 1.07A 3rukA-4k3jB:
undetectable		 3rukA-4k3jB:
21.44
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.
4l15 FIDGETIN-LIKE
PROTEIN 1

(Caenorhabditis
elegans) 		PF00004
(AAA)
PF09336
(Vps4_C) 		5 ILE A 306
LEU A 400
ALA A 382
THR A 386
VAL A 397
 None
 1.06A 3rukA-4l15A:
undetectable		 3rukA-4l15A:
23.05
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.
4m6r METHYLTHIORIBULOSE-1
-PHOSPHATE
DEHYDRATASE

(Homo sapiens) 		PF00596
(Aldolase_II) 		5 ILE A 135
LEU A 159
ALA A 121
THR A 125
VAL A 161
 None
 1.05A 3rukA-4m6rA:
undetectable		 3rukA-4m6rA:
19.58
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.
4n4r LPS-ASSEMBLY
LIPOPROTEIN LPTE

(Salmonella
enterica) 		PF04390
(LptE) 		5 ALA B  50
ASP B 149
ALA B 151
THR B 120
VAL B  80
 None
 1.03A 3rukA-4n4rB:
undetectable		 3rukA-4n4rB:
16.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE

(Homo sapiens) 		PF00067
(p450) 		12 ALA A 113
PHE A 114
TYR A 201
ASN A 202
ILE A 205
LEU A 209
ASP A 298
ALA A 302
THR A 306
VAL A 366
CYH A 442
VAL A 482
 HEM  A 600 ( 2.9A)
3QZ  A 601 ( 4.1A)
None
3QZ  A 601 (-3.5A)
3QZ  A 601 ( 3.4A)
3QZ  A 601 ( 4.8A)
3QZ  A 601 (-3.5A)
3QZ  A 601 (-2.9A)
HEM  A 600 ( 3.2A)
HEM  A 600 ( 3.4A)
HEM  A 600 (-2.6A)
3QZ  A 601 (-4.1A)
 0.41A 3rukA-4nkyA:
63.0		 3rukA-4nkyA:
99.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE

(Homo sapiens) 		PF00067
(p450) 		6 ASN A 202
ILE A 205
LEU A 105
ALA A 302
THR A 306
CYH A 442
 3QZ  A 601 (-3.5A)
3QZ  A 601 ( 3.4A)
3QZ  A 601 ( 4.2A)
3QZ  A 601 (-2.9A)
HEM  A 600 ( 3.2A)
HEM  A 600 (-2.6A)
 1.45A 3rukA-4nkyA:
63.0		 3rukA-4nkyA:
99.80
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.
4q3n MGS-M5

(unidentified) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ALA A  72
PHE A 112
ILE A  77
LEU A 116
THR A 242
 None
 1.06A 3rukA-4q3nA:
undetectable		 3rukA-4q3nA:
20.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r1z CYP17A1 PROTEIN

(Danio rerio) 		PF00067
(p450) 		6 ALA A 126
PHE A 127
ASP A 309
ALA A 313
THR A 317
VAL A 494
 HEM  A 600 (-3.6A)
None
AER  A 601 ( 4.1A)
HEM  A 600 (-3.5A)
HEM  A 600 ( 3.3A)
None
 1.48A 3rukA-4r1zA:
50.7		 3rukA-4r1zA:
46.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r1z CYP17A1 PROTEIN

(Danio rerio) 		PF00067
(p450) 		9 ALA A 126
PHE A 127
TYR A 214
ILE A 218
ASP A 309
ALA A 313
THR A 317
VAL A 377
CYH A 453
 HEM  A 600 (-3.6A)
None
AER  A 601 (-4.7A)
AER  A 601 ( 4.3A)
AER  A 601 ( 4.1A)
HEM  A 600 (-3.5A)
HEM  A 600 ( 3.3A)
HEM  A 600 (-4.6A)
HEM  A 600 (-2.3A)
 0.65A 3rukA-4r1zA:
50.7		 3rukA-4r1zA:
46.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r1z CYP17A1 PROTEIN

(Danio rerio) 		PF00067
(p450) 		9 ALA A 126
TYR A 214
ILE A 218
ASP A 309
ALA A 313
THR A 317
VAL A 377
CYH A 453
VAL A 493
 HEM  A 600 (-3.6A)
AER  A 601 (-4.7A)
AER  A 601 ( 4.3A)
AER  A 601 ( 4.1A)
HEM  A 600 (-3.5A)
HEM  A 600 ( 3.3A)
HEM  A 600 (-4.6A)
HEM  A 600 (-2.3A)
None
 0.64A 3rukA-4r1zA:
50.7		 3rukA-4r1zA:
46.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2

(Danio rerio) 		PF00067
(p450) 		6 ALA A 120
PHE A 121
ILE A 216
THR A 306
VAL A 366
CYH A 440
 AER  A 602 (-3.7A)
None
None
HEM  A 601 ( 3.3A)
AER  A 602 ( 4.9A)
HEM  A 601 (-2.2A)
 1.30A 3rukA-4r20A:
49.4		 3rukA-4r20A:
43.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2

(Danio rerio) 		PF00067
(p450) 		9 ALA A 120
PHE A 121
TYR A 208
ASN A 209
ILE A 212
ALA A 302
THR A 306
VAL A 366
CYH A 440
 AER  A 602 (-3.7A)
None
None
AER  A 602 (-4.5A)
AER  A 602 (-3.2A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.3A)
AER  A 602 ( 4.9A)
HEM  A 601 (-2.2A)
 0.73A 3rukA-4r20A:
49.4		 3rukA-4r20A:
43.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2

(Danio rerio) 		PF00067
(p450) 		8 TYR A 208
ASN A 209
ILE A 212
ALA A 302
THR A 306
VAL A 366
CYH A 440
VAL A 480
 None
AER  A 602 (-4.5A)
AER  A 602 (-3.2A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.3A)
AER  A 602 ( 4.9A)
HEM  A 601 (-2.2A)
AER  A 602 ( 4.9A)
 0.83A 3rukA-4r20A:
49.4		 3rukA-4r20A:
43.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2

(Danio rerio) 		PF00067
(p450) 		7 TYR A 208
ASN A 209
ILE A 212
LEU A 112
ALA A 302
THR A 306
CYH A 440
 None
AER  A 602 (-4.5A)
AER  A 602 (-3.2A)
AER  A 602 ( 4.8A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.3A)
HEM  A 601 (-2.2A)
 1.41A 3rukA-4r20A:
49.4		 3rukA-4r20A:
43.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rlv ANKYRIN-1, ANKYRIN-2

(Homo sapiens;
Mus musculus) 		PF00023
(Ank)
PF12796
(Ank_2)
PF13637
(Ank_4)
PF13857
(Ank_5) 		5 ASN A2066
ILE A2057
LEU A2051
ALA A2071
VAL A2047
 None
 1.00A 3rukA-4rlvA:
undetectable		 3rukA-4rlvA:
18.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yzr POLYKETIDE
BIOSYNTHESIS
CYTOCHROME P450 PKSS

(Bacillus
subtilis) 		PF00067
(p450) 		5 ALA A 146
ILE A 376
LEU A 258
ALA A 365
VAL A 278
 ALA  A 146 ( 0.0A)
ILE  A 376 ( 0.7A)
LEU  A 258 ( 0.6A)
ALA  A 365 ( 0.0A)
VAL  A 278 ( 0.6A)
 1.03A 3rukA-4yzrA:
31.4		 3rukA-4yzrA:
24.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z7y DIPHOSPHOMEVALONATE
DECARBOXYLASE

(Sulfolobus
solfataricus) 		PF00288
(GHMP_kinases_N) 		5 ASN A  60
LEU A  64
THR A  47
VAL A  49
VAL A  57
 None
 0.85A 3rukA-4z7yA:
undetectable		 3rukA-4z7yA:
23.54
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.
5ay7 XYLANASE

(Aegilops
speltoides) 		PF00331
(Glyco_hydro_10) 		5 ILE A 291
LEU A 284
ASP A 183
ALA A 228
VAL A 283
 None
 0.99A 3rukA-5ay7A:
undetectable		 3rukA-5ay7A:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b3g PROTEIN SHORT-ROOT

(Arabidopsis
thaliana) 		PF03514
(GRAS) 		5 ILE B 256
LEU B 286
ALA B 275
THR B 278
VAL B 324
 None
 1.08A 3rukA-5b3gB:
undetectable		 3rukA-5b3gB:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5enz UDP-GLCNAC
2-EPIMERASE

(Staphylococcus
aureus) 		PF02350
(Epimerase_2) 		6 ILE A  53
LEU A  48
ALA A 177
THR A 181
VAL A 266
VAL A  47
 None
 1.43A 3rukA-5enzA:
undetectable		 3rukA-5enzA:
22.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ftf TPR DOMAIN PROTEIN

(Bacteroides sp.
3_1_23) 		PF05970
(PIF1) 		5 ILE A 118
LEU A 115
ALA A  53
THR A  55
VAL A 110
 None
 1.03A 3rukA-5ftfA:
undetectable		 3rukA-5ftfA:
23.26
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.
5gj3 PERIPLASMIC BINDING
PROTEIN

(Roseiflexus sp.
RS-1) 		PF01497
(Peripla_BP_2) 		5 ILE A 181
LEU A 179
THR A 106
VAL A 118
VAL A 157
 None
 0.99A 3rukA-5gj3A:
undetectable		 3rukA-5gj3A:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gxd AMP-DEPENDENT
SYNTHETASE AND
LIGASE

(Dinoroseobacter
shibae) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		5 ALA A 524
PHE A 540
ASN A 596
ILE A 597
LEU A 622
 None
 1.05A 3rukA-5gxdA:
undetectable		 3rukA-5gxdA:
19.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ol1 DNA POLYMERASE III
SUBUNIT ALPHA,DNA
POLYMERASE III
SUBUNIT ALPHA

(Synechocystis
sp. PCC 6803) 		no annotation 6 ALA A  36
PHE A  26
TYR A 100
ILE A 108
LEU A  28
ALA A  43
 CSO  A  37 ( 3.1A)
None
None
None
None
None
 1.25A 3rukA-5ol1A:
undetectable		 3rukA-5ol1A:
15.35
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.
5ol1 DNA POLYMERASE III
SUBUNIT ALPHA,DNA
POLYMERASE III
SUBUNIT ALPHA

(Synechocystis
sp. PCC 6803) 		no annotation 6 ALA A  36
TYR A 100
ILE A 108
LEU A  28
ALA A  43
VAL A  64
 CSO  A  37 ( 3.1A)
None
None
None
None
None
 1.22A 3rukA-5ol1A:
undetectable		 3rukA-5ol1A:
15.35
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.
5ta1 GLYCOSIDE HYDROLASE

(Bacteroides
uniformis) 		no annotation 5 ALA A  50
PHE A  48
ASN A  61
LEU A  70
VAL A 124
 None
 0.92A 3rukA-5ta1A:
undetectable		 3rukA-5ta1A:
22.24
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.
5udb MINICHROMOSOME
MAINTENANCE PROTEIN
5

(Saccharomyces
cerevisiae) 		PF00493
(MCM)
PF14551
(MCM_N)
PF17207
(MCM_OB) 		5 ILE 5 504
LEU 5 513
ALA 5 447
VAL 5 437
VAL 5 470
 None
 1.02A 3rukA-5udb5:
undetectable		 3rukA-5udb5:
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.
5ux5 BIFUNCTIONAL PROTEIN
PROLINE UTILIZATION
A (PUTA)

(Corynebacterium
freiburgense) 		PF00171
(Aldedh)
PF01619
(Pro_dh) 		5 ASN A 531
ILE A 532
LEU A 536
ALA A 526
VAL A 555
 None
 0.89A 3rukA-5ux5A:
undetectable		 3rukA-5ux5A:
18.28
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.
5vm1 XYLULOKINASE

(Brucella ovis) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 ILE A 407
LEU A 411
ALA A 416
THR A 454
VAL A 413
 None
 1.02A 3rukA-5vm1A:
undetectable		 3rukA-5vm1A:
21.98
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.
5vn6 TAURINE DIOXYGENASE

(Burkholderia
ambifaria) 		PF02668
(TauD) 		5 ALA A 249
PHE A  43
LEU A   6
THR A 256
VAL A 239
 None
 1.08A 3rukA-5vn6A:
undetectable		 3rukA-5vn6A:
18.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xei CHROMOSOME PARTITION
PROTEIN SMC

(Pyrococcus
yayanosii) 		PF02463
(SMC_N) 		5 ASN A  41
ILE A  42
LEU A   7
VAL A 106
VAL A  82
 None
 1.08A 3rukA-5xeiA:
3.5		 3rukA-5xeiA:
23.78
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.
5yv5 ATPASE RIL

(Pyrococcus
furiosus) 		no annotation 5 ALA A 222
LEU A 204
ALA A 185
VAL A 174
VAL A 178
 None
 1.07A 3rukA-5yv5A:
undetectable		 3rukA-5yv5A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6az1 RIBOSOMAL PROTEIN S5

(Leishmania
donovani) 		no annotation 5 ALA F 192
ILE F 223
LEU F 222
VAL F 170
VAL F 179
 U  1   3 ( 4.9A)
None
None
None
None
 1.05A 3rukA-6az1F:
undetectable		 3rukA-6az1F:
10.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1

(Danio rerio) 		no annotation 9 ALA A 126
PHE A 127
TYR A 214
ILE A 218
ALA A 313
THR A 317
VAL A 377
CYH A 453
VAL A 493
 HEM  A 601 (-3.8A)
None
None
AER  A 602 (-3.9A)
HEM  A 601 (-3.6A)
HEM  A 601 ( 3.7A)
HEM  A 601 ( 4.4A)
HEM  A 601 (-2.3A)
AER  A 602 ( 4.7A)
 0.62A 3rukA-6b82A:
48.9		 3rukA-6b82A:
9.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c3p ATP-BINDING CASSETTE
SUB-FAMILY C MEMBER
8

(Homo sapiens) 		no annotation 5 ALA E1494
PHE E1495
ILE E1511
LEU E1519
VAL E1533
 None
 1.08A 3rukA-6c3pE:
undetectable		 3rukA-6c3pE:
11.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cip PYRUVATE-FERREDOXIN
OXIDOREDUCTASE

(Moorella
thermoacetica) 		no annotation 5 ALA A1060
TYR A 971
LEU A 982
ALA A1042
VAL A1039
 None
 1.05A 3rukA-6cipA:
undetectable		 3rukA-6cipA:
14.88
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.
6co7 PREDICTED PROTEIN

(Nematostella
vectensis) 		no annotation 5 ALA A 190
TYR A 395
ILE A 324
LEU A 301
VAL A 142
 None
 1.01A 3rukA-6co7A:
undetectable		 3rukA-6co7A:
11.00
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.
6cp2 -

(-) 		no annotation 5 PHE B  70
ILE B 105
LEU B 108
ALA B  50
VAL B 112
 None
 1.07A 3rukA-6cp2B:
undetectable		 3rukA-6cp2B:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f2u ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3

(Homo sapiens) 		no annotation 5 ALA A 269
LEU A 261
ALA A 253
THR A 251
VAL A 283
 NAP  A 401 ( 4.7A)
None
NAP  A 401 (-3.4A)
None
None
 0.94A 3rukA-6f2uA:
undetectable		 3rukA-6f2uA:
10.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6h20 -

(-) 		no annotation 5 ILE A 298
LEU A 295
ALA A 127
VAL A  85
VAL A 291
 None
 1.05A 3rukA-6h20A:
undetectable		 3rukA-6h20A:
undetectable