SIMILAR PATTERNS OF AMINO ACIDS FOR 1RUK_H_BEZH601_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1a0d XYLOSE ISOMERASE

(Geobacillus
stearothermophilus) 		PF01261
(AP_endonuc_2) 		4 ASN A  68
TRP A  67
GLY A  61
GLY A  52
 None
 0.76A 1rukH-1a0dA:
undetectable
1rukL-1a0dA:
undetectable		 1rukH-1a0dA:
20.05
1rukL-1a0dA:
18.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1bgx TP7 MAB

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ALA H  33
ASN H  35
TRP H  47
TYR H  50
 None
 0.83A 1rukH-1bgxH:
23.0
1rukL-1bgxH:
11.0		 1rukH-1bgxH:
86.76
1rukL-1bgxH:
27.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1c12 PROTEIN (ANTIBODY
FRAGMENT FAB)

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ALA B  33
ASN B  35
TRP B  47
TYR B  50
 None
 0.46A 1rukH-1c12B:
22.9
1rukL-1c12B:
15.1		 1rukH-1c12B:
81.45
1rukL-1c12B:
26.89
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.
1d4e FLAVOCYTOCHROME C
FUMARATE REDUCTASE

(Shewanella
oneidensis) 		PF00890
(FAD_binding_2)
PF14537
(Cytochrom_c3_2) 		4 ALA A 348
LEU A 345
GLY A 342
GLY A 313
 None
None
None
FAD  A 600 (-3.5A)
 0.81A 1rukH-1d4eA:
undetectable
1rukL-1d4eA:
undetectable		 1rukH-1d4eA:
16.78
1rukL-1d4eA:
18.01
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.
1db3 GDP-MANNOSE
4,6-DEHYDRATASE

(Escherichia
coli) 		PF16363
(GDP_Man_Dehyd) 		5 ALA A   4
TYR A  83
LEU A   5
GLY A  30
GLY A   8
 None
 1.37A 1rukH-1db3A:
undetectable
1rukL-1db3A:
undetectable		 1rukH-1db3A:
19.95
1rukL-1db3A:
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.
1dl3 PROTEIN
(PHOSPHORIBOSYLANTRA
NILATE ISOMERASE)

(Thermotoga
maritima) 		PF00697
(PRAI) 		4 ASN A 164
LEU A 160
GLY A 158
TRP A 141
 None
None
SO4  A 300 ( 4.1A)
None
 0.87A 1rukH-1dl3A:
undetectable
1rukL-1dl3A:
undetectable		 1rukH-1dl3A:
19.83
1rukL-1dl3A:
17.75
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.
1ehk BA3-TYPE
CYTOCHROME-C OXIDASE

(Thermus
thermophilus) 		PF00115
(COX1) 		4 ALA A 379
LEU A 439
GLY A 438
GLY A  47
 None
 0.87A 1rukH-1ehkA:
undetectable
1rukL-1ehkA:
undetectable		 1rukH-1ehkA:
16.42
1rukL-1ehkA:
16.63
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.
1g0v PROTEINASE A

(Saccharomyces
cerevisiae) 		PF00026
(Asp) 		4 ALA A 213
TYR A 189
GLY A 302
GLY A 217
 None
 0.85A 1rukH-1g0vA:
undetectable
1rukL-1g0vA:
undetectable		 1rukH-1g0vA:
20.85
1rukL-1g0vA:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ivh ISOVALERYL-COA
DEHYDROGENASE

(Homo sapiens) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 ALA A 368
LEU A 365
GLY A 362
GLY A 346
 None
 0.79A 1rukH-1ivhA:
undetectable
1rukL-1ivhA:
undetectable		 1rukH-1ivhA:
19.59
1rukL-1ivhA:
19.41
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.
1k0k PROFILIN

(Saccharomyces
cerevisiae) 		PF00235
(Profilin) 		4 ASN A  58
LEU A  55
GLY A  48
GLY A  43
 None
 0.87A 1rukH-1k0kA:
undetectable
1rukL-1k0kA:
undetectable		 1rukH-1k0kA:
18.39
1rukL-1k0kA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kbv MAJOR OUTER MEMBRANE
PROTEIN PAN 1

(Neisseria
gonorrhoeae) 		PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3) 		4 ALA A  24
ASN A 204
GLY A 150
GLY A 229
 None
 0.82A 1rukH-1kbvA:
2.1
1rukL-1kbvA:
2.3		 1rukH-1kbvA:
18.07
1rukL-1kbvA:
22.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kcv PC282 IMMUNOGLOBULIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ALA H  34
ASN H  36
TRP H  48
TYR H  51
 None
 0.34A 1rukH-1kcvH:
28.1
1rukL-1kcvH:
15.3		 1rukH-1kcvH:
75.23
1rukL-1kcvH:
30.17
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.
1lam LEUCINE
AMINOPEPTIDASE

(Bos taurus) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		4 ASN A 165
LEU A 125
GLY A 122
GLY A 157
 None
 0.85A 1rukH-1lamA:
undetectable
1rukL-1lamA:
undetectable		 1rukH-1lamA:
19.21
1rukL-1lamA:
18.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mo0 TRIOSEPHOSPHATE
ISOMERASE

(Caenorhabditis
elegans) 		PF00121
(TIM) 		4 ALA A 216
ASN A 215
LEU A 219
GLY A 208
 None
None
None
ACT  A 906 ( 4.6A)
 0.87A 1rukH-1mo0A:
undetectable
1rukL-1mo0A:
undetectable		 1rukH-1mo0A:
22.50
1rukL-1mo0A:
20.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ors 33H1 FAB HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ALA B  34
ASN B  36
TRP B  48
TYR B  51
 None
 0.28A 1rukH-1orsB:
26.4
1rukL-1orsB:
17.2		 1rukH-1orsB:
83.41
1rukL-1orsB:
27.92
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.
1qu4 ORNITHINE
DECARBOXYLASE

(Trypanosoma
brucei) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		4 ALA A 388
TYR A 389
GLY A 240
GLY A 237
 None
PLP  A 600 (-4.7A)
None
PLP  A 600 (-3.3A)
 0.84A 1rukH-1qu4A:
undetectable
1rukL-1qu4A:
undetectable		 1rukH-1qu4A:
18.22
1rukL-1qu4A:
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.
1sb7 TRNA PSEUDOURIDINE
SYNTHASE D

(Escherichia
coli) 		PF01142
(TruD) 		5 ALA A 326
ASN A 129
TRP A 323
LEU A 126
GLY A  34
 None
 1.43A 1rukH-1sb7A:
undetectable
1rukL-1sb7A:
undetectable		 1rukH-1sb7A:
19.95
1rukL-1sb7A:
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.
1svc PROTEIN (NUCLEAR
FACTOR KAPPA-B
(NF-KB))

(Homo sapiens) 		PF00554
(RHD_DNA_bind)
PF16179
(RHD_dimer) 		5 ALA P 138
TYR P  82
LEU P 140
GLY P 116
GLY P  68
 None
 1.43A 1rukH-1svcP:
5.8
1rukL-1svcP:
3.3		 1rukH-1svcP:
21.74
1rukL-1svcP:
18.77
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.
1ued P450 MONOOXYGENASE

(Amycolatopsis
orientalis) 		PF00067
(p450) 		4 ALA A 160
LEU A 161
GLY A 246
GLY A 358
 None
None
HEM  A1430 (-3.3A)
HEM  A1430 ( 3.9A)
 0.84A 1rukH-1uedA:
undetectable
1rukL-1uedA:
undetectable		 1rukH-1uedA:
18.72
1rukL-1uedA:
21.53
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.
1w3b UDP-N-ACETYLGLUCOSAM
INE--PEPTIDE
N-ACETYLGLUCOSAMINYL
TRANSFERASE 110

(Homo sapiens) 		PF00515
(TPR_1)
PF13181
(TPR_8)
PF13414
(TPR_11)
PF13424
(TPR_12) 		4 ALA A 370
TYR A 374
LEU A 367
GLY A 365
 None
 0.83A 1rukH-1w3bA:
undetectable
1rukL-1w3bA:
undetectable		 1rukH-1w3bA:
18.75
1rukL-1w3bA:
19.89
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.
1whs SERINE
CARBOXYPEPTIDASE II

(Triticum
aestivum) 		PF00450
(Peptidase_S10) 		4 ALA A  59
TYR A  60
GLY A 100
GLY A  55
 None
ACY  A 460 ( 4.5A)
None
None
 0.78A 1rukH-1whsA:
undetectable
1rukL-1whsA:
undetectable		 1rukH-1whsA:
20.23
1rukL-1whsA:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xc3 PUTATIVE
FRUCTOKINASE

(Bacillus
subtilis) 		PF00480
(ROK) 		4 ALA A 108
LEU A 109
GLY A 279
GLY A  56
 None
 0.83A 1rukH-1xc3A:
undetectable
1rukL-1xc3A:
undetectable		 1rukH-1xc3A:
20.57
1rukL-1xc3A:
22.12
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.
1xhs HYPOTHETICAL UPF0131
PROTEIN YTFP

(Escherichia
coli) 		PF06094
(GGACT) 		5 ALA A  44
LEU A  35
GLY A 106
TRP A 108
GLY A  53
 None
 1.18A 1rukH-1xhsA:
undetectable
1rukL-1xhsA:
undetectable		 1rukH-1xhsA:
19.82
1rukL-1xhsA:
19.91
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.
1yvk HYPOTHETICAL PROTEIN
BSU33890

(Bacillus
subtilis) 		PF00583
(Acetyltransf_1) 		4 ALA A  25
ASN A  68
LEU A  22
GLY A  52
 COA  A 201 (-3.6A)
None
None
None
 0.83A 1rukH-1yvkA:
undetectable
1rukL-1yvkA:
undetectable		 1rukH-1yvkA:
14.94
1rukL-1yvkA:
18.67
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.
1zg4 BETA-LACTAMASE TEM

(Escherichia
coli) 		PF13354
(Beta-lactamase2) 		4 ASN A 132
TYR A 105
GLY A 238
GLY A 236
 None
 0.82A 1rukH-1zg4A:
undetectable
1rukL-1zg4A:
undetectable		 1rukH-1zg4A:
22.60
1rukL-1zg4A:
22.11
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.
1zuw GLUTAMATE RACEMASE 1

(Bacillus
subtilis) 		PF01177
(Asp_Glu_race) 		4 ALA A  19
LEU A  16
GLY A  14
GLY A  35
 None
 0.77A 1rukH-1zuwA:
undetectable
1rukL-1zuwA:
undetectable		 1rukH-1zuwA:
22.57
1rukL-1zuwA:
23.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2a0l 33H1 FV FRAGMENT

(Mus musculus) 		PF07686
(V-set) 		4 ALA D  34
ASN D  36
TRP D  48
TYR D  51
 None
 0.35A 1rukH-2a0lD:
20.2
1rukL-2a0lD:
13.9		 1rukH-2a0lD:
52.63
1rukL-2a0lD:
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.
2agm POLY(BETA-D-MANNURON
ATE) C5 EPIMERASE 4

(Azotobacter
vinelandii) 		PF00353
(HemolysinCabind)
PF08548
(Peptidase_M10_C) 		5 ALA A 128
TYR A 112
LEU A 129
GLY A 131
GLY A 108
 None
 1.25A 1rukH-2agmA:
undetectable
1rukL-2agmA:
undetectable		 1rukH-2agmA:
20.66
1rukL-2agmA:
22.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ajx ANTIBODY 7A1 FAB'

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ALA H  34
TRP H  47
TYR H  50
GLY H  99
 None
 0.73A 1rukH-2ajxH:
28.7
1rukL-2ajxH:
15.0		 1rukH-2ajxH:
80.82
1rukL-2ajxH:
26.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2b1h FAB 2219, HEAVY
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 TYR H  52
LEU H  95
GLY H  96
GLY H 100
 None
 0.52A 1rukH-2b1hH:
18.0
1rukL-2b1hH:
17.7		 1rukH-2b1hH:
53.95
1rukL-2b1hH:
25.93
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.
2cjw GTP-BINDING PROTEIN
GEM

(Homo sapiens) 		PF00071
(Ras) 		4 ALA A 125
TYR A  76
LEU A 118
GLY A 234
 None
 0.86A 1rukH-2cjwA:
undetectable
1rukL-2cjwA:
undetectable		 1rukH-2cjwA:
19.83
1rukL-2cjwA:
22.58
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.
2cun PHOSPHOGLYCERATE
KINASE

(Pyrococcus
horikoshii) 		PF00162
(PGK) 		5 ALA A 227
ASN A 228
LEU A 225
GLY A 198
GLY A 329
 None
 1.22A 1rukH-2cunA:
undetectable
1rukL-2cunA:
undetectable		 1rukH-2cunA:
18.50
1rukL-2cunA:
19.28
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.
2dwu GLUTAMATE RACEMASE

(Bacillus
anthracis) 		PF01177
(Asp_Glu_race) 		4 ALA A  23
LEU A  20
GLY A  18
GLY A  39
 None
 0.75A 1rukH-2dwuA:
undetectable
1rukL-2dwuA:
undetectable		 1rukH-2dwuA:
22.68
1rukL-2dwuA:
18.69
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.
2e5v L-ASPARTATE OXIDASE

(Sulfurisphaera
tokodaii) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		4 ALA A  21
LEU A  18
GLY A  15
GLY A 361
 None
 0.83A 1rukH-2e5vA:
undetectable
1rukL-2e5vA:
undetectable		 1rukH-2e5vA:
20.04
1rukL-2e5vA:
19.44
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.
2f9t PANTOTHENATE KINASE

(Pseudomonas
aeruginosa) 		PF03309
(Pan_kinase) 		4 ASN A  90
TYR A  95
LEU A  98
GLY A  99
 None
 0.83A 1rukH-2f9tA:
undetectable
1rukL-2f9tA:
undetectable		 1rukH-2f9tA:
23.32
1rukL-2f9tA:
18.54
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.
2fg9 5-NITROIMIDAZOLE
ANTIBIOTIC
RESISTANCE PROTEIN

(Bacteroides
thetaiotaomicron) 		PF12900
(Pyridox_ox_2) 		4 ALA A 155
TYR A  88
GLY A   0
GLY A 152
 None
 0.82A 1rukH-2fg9A:
undetectable
1rukL-2fg9A:
undetectable		 1rukH-2fg9A:
17.98
1rukL-2fg9A:
20.18
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.
2g02 NISIN BIOSYNTHESIS
PROTEIN NISC

(Lactococcus
lactis) 		PF05147
(LANC_like) 		5 ALA A 404
TRP A 401
LEU A  96
GLY A  93
GLY A  45
 None
 1.22A 1rukH-2g02A:
undetectable
1rukL-2g02A:
undetectable		 1rukH-2g02A:
19.54
1rukL-2g02A:
19.05
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.
2gsn PHOSPHODIESTERASE-NU
CLEOTIDE
PYROPHOSPHATASE

(Xanthomonas
citri) 		PF01663
(Phosphodiest) 		4 ASN A 111
LEU A  89
GLY A 364
GLY A 286
 None
 0.87A 1rukH-2gsnA:
undetectable
1rukL-2gsnA:
undetectable		 1rukH-2gsnA:
22.56
1rukL-2gsnA:
16.63
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.
2gzm GLUTAMATE RACEMASE

(Bacillus
anthracis) 		PF01177
(Asp_Glu_race) 		4 ALA A  20
LEU A  17
GLY A  15
GLY A  36
 None
 0.80A 1rukH-2gzmA:
undetectable
1rukL-2gzmA:
undetectable		 1rukH-2gzmA:
25.00
1rukL-2gzmA:
25.17
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.
2hoe N-ACETYLGLUCOSAMINE
KINASE

(Thermotoga
maritima) 		PF00480
(ROK) 		4 ALA A 186
ASN A 184
GLY A 211
GLY A 234
 GOL  A 370 ( 4.2A)
GOL  A 370 ( 3.1A)
None
None
 0.87A 1rukH-2hoeA:
undetectable
1rukL-2hoeA:
undetectable		 1rukH-2hoeA:
17.37
1rukL-2hoeA:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i14 NICOTINATE-NUCLEOTID
E PYROPHOSPHORYLASE

(Pyrococcus
furiosus) 		PF01729
(QRPTase_C)
PF02749
(QRPTase_N) 		4 ALA A 337
ASN A 338
GLY A 320
GLY A 309
 None
 0.74A 1rukH-2i14A:
undetectable
1rukL-2i14A:
undetectable		 1rukH-2i14A:
16.33
1rukL-2i14A:
17.91
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.
2i58 SUGAR ABC
TRANSPORTER,
SUGAR-BINDING
PROTEIN

(Streptococcus
pneumoniae) 		PF13416
(SBP_bac_8) 		4 ALA A 173
LEU A 170
GLY A 166
GLY A 277
 None
 0.77A 1rukH-2i58A:
undetectable
1rukL-2i58A:
undetectable		 1rukH-2i58A:
19.01
1rukL-2i58A:
19.65
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.
2i7g MONOOXYGENASE

(Agrobacterium
fabrum) 		PF00296
(Bac_luciferase) 		4 ALA A 197
ASN A 234
GLY A 180
GLY A 113
 None
None
SO4  A 702 (-2.7A)
PEG  A 704 (-3.0A)
 0.82A 1rukH-2i7gA:
undetectable
1rukL-2i7gA:
undetectable		 1rukH-2i7gA:
20.00
1rukL-2i7gA:
19.30
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.
2inf UROPORPHYRINOGEN
DECARBOXYLASE

(Bacillus
subtilis) 		PF01208
(URO-D) 		4 ALA A  73
LEU A  75
GLY A 143
GLY A 200
 None
 0.84A 1rukH-2infA:
undetectable
1rukL-2infA:
undetectable		 1rukH-2infA:
19.83
1rukL-2infA:
20.61
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.
2iwi SERINE/THREONINE-PRO
TEIN KINASE PIM-2

(Homo sapiens) 		PF00069
(Pkinase) 		4 ALA A 219
TRP A 208
TYR A 214
GLY A 199
 None
 0.73A 1rukH-2iwiA:
undetectable
1rukL-2iwiA:
undetectable		 1rukH-2iwiA:
20.31
1rukL-2iwiA:
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.
2ix5 ACYL-COENZYME A
OXIDASE 4,
PEROXISOMAL

(Arabidopsis
thaliana) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 ALA A 366
LEU A 363
GLY A 359
GLY A 419
 None
 0.81A 1rukH-2ix5A:
undetectable
1rukL-2ix5A:
undetectable		 1rukH-2ix5A:
20.28
1rukL-2ix5A:
18.55
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.
2jfq GLUTAMATE RACEMASE

(Staphylococcus
aureus) 		PF01177
(Asp_Glu_race) 		4 ALA A  18
LEU A  15
GLY A  13
GLY A  34
 None
 0.76A 1rukH-2jfqA:
undetectable
1rukL-2jfqA:
undetectable		 1rukH-2jfqA:
22.85
1rukL-2jfqA:
21.40
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.
2khz C-MYC-RESPONSIVE
PROTEIN RCL

(Rattus
norvegicus) 		PF05014
(Nuc_deoxyrib_tr) 		4 ALA A  97
LEU A  94
GLY A  91
GLY A  16
 None
 0.80A 1rukH-2khzA:
undetectable
1rukL-2khzA:
undetectable		 1rukH-2khzA:
20.09
1rukL-2khzA:
19.63
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.
2o2g DIENELACTONE
HYDROLASE

(Trichormus
variabilis) 		PF01738
(DLH) 		4 ALA A 131
LEU A 128
GLY A 125
GLY A 119
 None
 0.84A 1rukH-2o2gA:
undetectable
1rukL-2o2gA:
undetectable		 1rukH-2o2gA:
22.88
1rukL-2o2gA:
23.92
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.
2pb0 ACETYLORNITHINE/SUCC
INYLDIAMINOPIMELATE
AMINOTRANSFERASE

(Salmonella
enterica) 		PF00202
(Aminotran_3) 		4 ALA A  96
LEU A  93
GLY A  90
GLY A 296
 None
 0.85A 1rukH-2pb0A:
undetectable
1rukL-2pb0A:
undetectable		 1rukH-2pb0A:
20.11
1rukL-2pb0A:
20.84
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.
2pg0 ACYL-COA
DEHYDROGENASE

(Geobacillus
kaustophilus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 ALA A  69
TYR A  73
GLY A  66
GLY A  54
 None
 0.80A 1rukH-2pg0A:
undetectable
1rukL-2pg0A:
undetectable		 1rukH-2pg0A:
19.69
1rukL-2pg0A:
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.
2ppy ENOYL-COA HYDRATASE

(Geobacillus
kaustophilus) 		PF00378
(ECH_1) 		4 ALA A 122
LEU A 121
GLY A 150
GLY A 115
 None
 0.87A 1rukH-2ppyA:
undetectable
1rukL-2ppyA:
undetectable		 1rukH-2ppyA:
20.38
1rukL-2ppyA:
22.26
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.
2qm1 GLUCOKINASE

(Enterococcus
faecalis) 		PF00480
(ROK) 		4 ALA A 119
LEU A 120
GLY A 311
GLY A  71
 None
 0.83A 1rukH-2qm1A:
undetectable
1rukL-2qm1A:
undetectable		 1rukH-2qm1A:
19.27
1rukL-2qm1A:
21.89
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.
2v8p 4-DIPHOSPHOCYTIDYL-2
-C-METHYL-D-ERYTHRIT
OL KINASE

(Aquifex
aeolicus) 		PF00288
(GHMP_kinases_N) 		4 ALA A 212
TYR A 216
GLY A 237
GLY A  90
 None
None
None
ADP  A1270 (-3.2A)
 0.87A 1rukH-2v8pA:
undetectable
1rukL-2v8pA:
undetectable		 1rukH-2v8pA:
20.71
1rukL-2v8pA:
19.72
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.
2var FRUCTOKINASE

(Sulfolobus
solfataricus) 		PF00294
(PfkB) 		4 ALA A 145
ASN A 144
GLY A 113
GLY A 110
 None
 0.76A 1rukH-2varA:
undetectable
1rukL-2varA:
undetectable		 1rukH-2varA:
23.90
1rukL-2varA:
21.90
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.
2w3p BENZOYL-COA-DIHYDROD
IOL LYASE

(Paraburkholderia
xenovorans) 		PF00378
(ECH_1) 		4 ALA A 150
LEU A 149
GLY A 180
GLY A 143
 None
 0.83A 1rukH-2w3pA:
undetectable
1rukL-2w3pA:
undetectable		 1rukH-2w3pA:
18.52
1rukL-2w3pA:
16.98
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.
2wyx BETA-LACTAMSE TOHO-1

(Escherichia
coli) 		PF13354
(Beta-lactamase2) 		4 ASN A 132
TYR A 105
GLY A 238
GLY A 236
 None
 0.87A 1rukH-2wyxA:
undetectable
1rukL-2wyxA:
undetectable		 1rukH-2wyxA:
23.48
1rukL-2wyxA:
21.89
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.
2x3e 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Pseudomonas
aeruginosa) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		4 ALA A 133
LEU A 165
GLY A 122
GLY A 117
 None
 0.78A 1rukH-2x3eA:
undetectable
1rukL-2x3eA:
undetectable		 1rukH-2x3eA:
21.24
1rukL-2x3eA:
19.29
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.
2x40 BETA-GLUCOSIDASE

(Thermotoga
neapolitana) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 ALA A 119
TYR A 134
GLY A 371
GLY A 457
 None
 0.87A 1rukH-2x40A:
4.5
1rukL-2x40A:
undetectable		 1rukH-2x40A:
15.58
1rukL-2x40A:
15.22
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.
2z1q ACYL-COA
DEHYDROGENASE

(Thermus
thermophilus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 ALA A 269
LEU A 267
GLY A 263
GLY A 111
 None
 0.87A 1rukH-2z1qA:
undetectable
1rukL-2z1qA:
undetectable		 1rukH-2z1qA:
15.42
1rukL-2z1qA:
15.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zwa LEUCINE CARBOXYL
METHYLTRANSFERASE 2

(Saccharomyces
cerevisiae) 		PF04072
(LCM)
PF13418
(Kelch_4) 		4 ALA A 228
TYR A 229
LEU A 227
GLY A 115
 None
None
None
SAH  A 801 (-3.5A)
 0.84A 1rukH-2zwaA:
undetectable
1rukL-2zwaA:
undetectable		 1rukH-2zwaA:
14.62
1rukL-2zwaA:
14.87
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.
3aoe GLUTAMATE
DEHYDROGENASE

(Thermus
thermophilus) 		no annotation 4 ALA E 232
LEU E 199
GLY E 200
GLY E 348
 None
 0.87A 1rukH-3aoeE:
undetectable
1rukL-3aoeE:
undetectable		 1rukH-3aoeE:
17.66
1rukL-3aoeE:
18.54
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.
3bpt 3-HYDROXYISOBUTYRYL-
COA HYDROLASE

(Homo sapiens) 		PF16113
(ECH_2) 		4 ASN A 125
TYR A 122
GLY A 145
GLY A  98
 None
None
HIU  A 502 ( 3.7A)
HIU  A 502 ( 3.7A)
 0.80A 1rukH-3bptA:
undetectable
1rukL-3bptA:
undetectable		 1rukH-3bptA:
19.23
1rukL-3bptA:
20.22
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.
3cf0 TRANSITIONAL
ENDOPLASMIC
RETICULUM ATPASE

(Mus musculus) 		PF00004
(AAA)
PF09336
(Vps4_C) 		4 ALA A 530
LEU A 527
GLY A 523
GLY A 480
 None
None
ADP  A 900 (-2.8A)
ADP  A 900 (-3.7A)
 0.87A 1rukH-3cf0A:
undetectable
1rukL-3cf0A:
undetectable		 1rukH-3cf0A:
19.80
1rukL-3cf0A:
19.87
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.
3cjy PUTATIVE
THIOESTERASE

(Novosphingobium
aromaticivorans) 		PF13622
(4HBT_3) 		4 ALA A 233
LEU A 254
GLY A 201
GLY A 192
 None
 0.79A 1rukH-3cjyA:
undetectable
1rukL-3cjyA:
undetectable		 1rukH-3cjyA:
23.10
1rukL-3cjyA:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ddd PUTATIVE
ACETYLTRANSFERASE

(Pyrococcus
horikoshii) 		PF00583
(Acetyltransf_1) 		4 ALA A  21
TYR A  22
GLY A  57
GLY A  59
 COA  A 300 (-3.5A)
COA  A 300 (-3.3A)
None
None
 0.78A 1rukH-3dddA:
undetectable
1rukL-3dddA:
undetectable		 1rukH-3dddA:
17.63
1rukL-3dddA:
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.
3dwl ACTIN-RELATED
PROTEIN 2/3 COMPLEX
SUBUNIT 1

(Schizosaccharomyces
pombe) 		PF00400
(WD40) 		4 ALA C 219
TYR C 233
LEU C 220
GLY C 212
 None
 0.83A 1rukH-3dwlC:
undetectable
1rukL-3dwlC:
undetectable		 1rukH-3dwlC:
21.64
1rukL-3dwlC:
18.64
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.
3f2a PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE PIM-1

(Homo sapiens) 		PF00069
(Pkinase) 		4 ALA A 223
TRP A 212
TYR A 218
GLY A 203
 None
 0.70A 1rukH-3f2aA:
undetectable
1rukL-3f2aA:
undetectable		 1rukH-3f2aA:
19.93
1rukL-3f2aA:
19.93
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.
3f59 ANKYRIN-1

(Homo sapiens) 		PF00791
(ZU5) 		5 ALA A 977
TYR A1062
LEU A 978
GLY A 979
GLY A 982
 None
 1.20A 1rukH-3f59A:
undetectable
1rukL-3f59A:
undetectable		 1rukH-3f59A:
21.00
1rukL-3f59A:
21.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3g5y 175 HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 ALA B  34
ASN B  36
TRP B  48
TYR B  51
GLY B 100
 None
 0.81A 1rukH-3g5yB:
29.1
1rukL-3g5yB:
14.9		 1rukH-3g5yB:
90.87
1rukL-3g5yB:
27.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3g5y 175 HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ASN B  36
TRP B  48
TYR B  51
GLY B 102
 None
 0.55A 1rukH-3g5yB:
29.1
1rukL-3g5yB:
14.9		 1rukH-3g5yB:
90.87
1rukL-3g5yB:
27.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gm8 GLYCOSIDE HYDROLASE
FAMILY 2, CANDIDATE
BETA-GLYCOSIDASE

(Bacteroides
vulgatus) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		4 ALA A 375
TRP A  74
LEU A 156
GLY A  77
 None
 0.70A 1rukH-3gm8A:
5.2
1rukL-3gm8A:
6.0		 1rukH-3gm8A:
13.86
1rukL-3gm8A:
13.61
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.
3h1q ETHANOLAMINE
UTILIZATION PROTEIN
EUTJ

(Carboxydothermus
hydrogenoformans) 		PF14450
(FtsA) 		4 ALA A  95
LEU A  32
GLY A  33
GLY A  62
 None
None
ATP  A 301 ( 3.8A)
None
 0.86A 1rukH-3h1qA:
undetectable
1rukL-3h1qA:
undetectable		 1rukH-3h1qA:
21.13
1rukL-3h1qA:
19.57
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.
3h4m PROTEASOME-ACTIVATIN
G NUCLEOTIDASE

(Methanocaldococcus
jannaschii) 		PF00004
(AAA) 		4 ALA A 223
LEU A 220
GLY A 216
GLY A 173
 None
None
ADP  A 439 (-3.0A)
ADP  A 439 (-4.0A)
 0.82A 1rukH-3h4mA:
undetectable
1rukL-3h4mA:
undetectable		 1rukH-3h4mA:
18.73
1rukL-3h4mA:
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.
3hvn HEMOLYSIN

(Streptococcus
suis) 		PF01289
(Thiol_cytolysin)
PF17440
(Thiol_cytolys_C) 		4 ALA A 401
TRP A 436
TYR A 403
GLY A 397
 None
HTO  A 506 (-4.2A)
None
None
 0.87A 1rukH-3hvnA:
undetectable
1rukL-3hvnA:
undetectable		 1rukH-3hvnA:
19.56
1rukL-3hvnA:
19.09
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.
3ie1 RIBONUCLEASE
TTHA0252

(Thermus
thermophilus) 		PF00753
(Lactamase_B)
PF07521
(RMMBL)
PF10996
(Beta-Casp) 		4 ALA A 408
LEU A 409
GLY A 187
GLY A 382
 None
 0.78A 1rukH-3ie1A:
undetectable
1rukL-3ie1A:
undetectable		 1rukH-3ie1A:
16.90
1rukL-3ie1A:
18.29
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.
3j2s COAGULATION FACTOR
VIII LIGHT CHAIN

(Homo sapiens) 		PF00754
(F5_F8_type_C)
PF07731
(Cu-oxidase_2) 		4 ASN B1922
TYR B1924
LEU B1759
GLY B1760
 None
 0.86A 1rukH-3j2sB:
undetectable
1rukL-3j2sB:
2.3		 1rukH-3j2sB:
16.04
1rukL-3j2sB:
17.12
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.
3ju8 SUCCINYLGLUTAMIC
SEMIALDEHYDE
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00171
(Aldedh) 		4 ALA A 243
TYR A 463
GLY A 451
GLY A 445
 None
 0.81A 1rukH-3ju8A:
undetectable
1rukL-3ju8A:
undetectable		 1rukH-3ju8A:
16.94
1rukL-3ju8A:
19.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k9b LIVER
CARBOXYLESTERASE 1

(Homo sapiens) 		PF00135
(COesterase) 		4 ALA A1093
LEU A1097
GLY A1147
GLY A1143
 None
WW2  A 193 ( 4.9A)
None
WW2  A 193 (-3.4A)
 0.77A 1rukH-3k9bA:
undetectable
1rukL-3k9bA:
undetectable		 1rukH-3k9bA:
17.61
1rukL-3k9bA:
18.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k9d ALDEHYDE
DEHYDROGENASE

(Listeria
monocytogenes) 		PF00171
(Aldedh) 		4 ALA A 207
TYR A 208
GLY A 199
GLY A 218
 None
 0.83A 1rukH-3k9dA:
undetectable
1rukL-3k9dA:
undetectable		 1rukH-3k9dA:
20.39
1rukL-3k9dA:
17.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kds CELL DIVISION
PROTEIN FTSH

(Thermotoga
maritima) 		PF00004
(AAA)
PF01434
(Peptidase_M41) 		4 ALA E 213
LEU E 210
GLY E 206
GLY E 164
 None
 0.87A 1rukH-3kdsE:
undetectable
1rukL-3kdsE:
undetectable		 1rukH-3kdsE:
17.58
1rukL-3kdsE:
18.06
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.
3kly PUTATIVE FORMATE
TRANSPORTER 1

(Vibrio cholerae) 		PF01226
(Form_Nir_trans) 		4 ALA A  73
LEU A  76
GLY A  77
GLY A  45
 None
 0.80A 1rukH-3klyA:
undetectable
1rukL-3klyA:
undetectable		 1rukH-3klyA:
19.66
1rukL-3klyA:
18.15
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.
3mml ALLOPHANATE
HYDROLASE SUBUNIT 2

(Mycolicibacterium
smegmatis) 		PF02626
(CT_A_B) 		4 LEU A 218
GLY A 243
TRP A 200
GLY A 215
 None
 0.77A 1rukH-3mmlA:
undetectable
1rukL-3mmlA:
undetectable		 1rukH-3mmlA:
22.53
1rukL-3mmlA:
19.25
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.
3n05 NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Streptomyces
avermitilis) 		PF00795
(CN_hydrolase)
PF02540
(NAD_synthase) 		4 TYR A 354
LEU A 380
GLY A 379
GLY A 349
 None
 0.84A 1rukH-3n05A:
undetectable
1rukL-3n05A:
undetectable		 1rukH-3n05A:
17.25
1rukL-3n05A:
16.89
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.
3ncy ADIC

(Salmonella
enterica) 		PF13520
(AA_permease_2) 		4 ASN A 101
LEU A 290
GLY A 288
GLY A  25
 None
 0.81A 1rukH-3ncyA:
undetectable
1rukL-3ncyA:
undetectable		 1rukH-3ncyA:
20.22
1rukL-3ncyA:
17.87
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.
3nv9 MALIC ENZYME

(Entamoeba
histolytica) 		PF00390
(malic)
PF03949
(Malic_M) 		4 ALA A 445
TRP A 438
TYR A 442
GLY A 365
 None
 0.83A 1rukH-3nv9A:
undetectable
1rukL-3nv9A:
undetectable		 1rukH-3nv9A:
16.70
1rukL-3nv9A:
17.23
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.
3o8l 6-PHOSPHOFRUCTOKINAS
E, MUSCLE TYPE

(Oryctolagus
cuniculus) 		PF00365
(PFK) 		4 ALA A 125
LEU A 122
GLY A 120
GLY A  24
 None
None
ATP  A 763 (-2.9A)
ATP  A 763 (-3.3A)
 0.85A 1rukH-3o8lA:
undetectable
1rukL-3o8lA:
undetectable		 1rukH-3o8lA:
16.22
1rukL-3o8lA:
14.21
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.
3o8o 6-PHOSPHOFRUCTOKINAS
E SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00365
(PFK) 		4 ALA A 315
LEU A 312
GLY A 310
GLY A 214
 None
 0.84A 1rukH-3o8oA:
undetectable
1rukL-3o8oA:
undetectable		 1rukH-3o8oA:
13.98
1rukL-3o8oA:
15.33
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.
3owv DNA-ENTRY NUCLEASE

(Streptococcus
pneumoniae) 		PF01223
(Endonuclease_NS) 		4 ALA A 160
ASN A 182
LEU A 162
GLY A 168
 CL  A 401 ( 4.1A)
None
None
None
 0.84A 1rukH-3owvA:
undetectable
1rukL-3owvA:
undetectable		 1rukH-3owvA:
21.09
1rukL-3owvA:
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.
3q2i DEHYDROGENASE

(Chromobacterium
violaceum) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 ALA A 120
LEU A 127
GLY A 322
GLY A 113
 None
 0.86A 1rukH-3q2iA:
undetectable
1rukL-3q2iA:
undetectable		 1rukH-3q2iA:
20.99
1rukL-3q2iA:
19.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qat MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE

(Bartonella
henselae) 		PF00698
(Acyl_transf_1) 		4 ALA A 205
LEU A 206
GLY A 173
GLY A 156
 None
 0.72A 1rukH-3qatA:
undetectable
1rukL-3qatA:
undetectable		 1rukH-3qatA:
20.62
1rukL-3qatA:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r0o CARNITINYL-COA
DEHYDRATASE

(Mycobacterium
avium) 		PF00378
(ECH_1) 		4 ALA A 124
LEU A 123
GLY A 151
GLY A 116
 EDO  A 270 (-4.1A)
None
None
None
 0.81A 1rukH-3r0oA:
undetectable
1rukL-3r0oA:
undetectable		 1rukH-3r0oA:
22.70
1rukL-3r0oA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r0v ALPHA/BETA HYDROLASE
FOLD PROTEIN

(Sphaerobacter
thermophilus) 		PF12697
(Abhydrolase_6) 		4 ALA A 102
LEU A  99
GLY A  96
GLY A  90
 None
 0.81A 1rukH-3r0vA:
undetectable
1rukL-3r0vA:
undetectable		 1rukH-3r0vA:
21.38
1rukL-3r0vA:
24.09
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.
3r9s CARNITINYL-COA
DEHYDRATASE

(Mycobacterium
avium) 		PF00378
(ECH_1) 		4 ALA A 118
LEU A 117
GLY A 145
GLY A 110
 EDO  A 265 (-4.5A)
None
None
BEZ  A 264 ( 4.7A)
 0.83A 1rukH-3r9sA:
undetectable
1rukL-3r9sA:
undetectable		 1rukH-3r9sA:
20.56
1rukL-3r9sA:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rgw MEMBRANE-BOUND
HYDROGENASE (NIFE)
LARGE SUBUNIT HOXG

(Cupriavidus
necator) 		PF00374
(NiFeSe_Hases) 		4 ALA L 420
TYR L 417
LEU L 419
GLY L 323
 None
 0.86A 1rukH-3rgwL:
undetectable
1rukL-3rgwL:
undetectable		 1rukH-3rgwL:
15.74
1rukL-3rgwL:
15.93
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.
3rm5 HYDROXYMETHYLPYRIMID
INE/PHOSPHOMETHYLPYR
IMIDINE KINASE THI20

(Saccharomyces
cerevisiae) 		PF03070
(TENA_THI-4)
PF08543
(Phos_pyr_kin) 		4 ALA A 248
TYR A 269
LEU A 245
GLY A 242
 None
None
None
SO4  A   1 (-3.3A)
 0.87A 1rukH-3rm5A:
undetectable
1rukL-3rm5A:
undetectable		 1rukH-3rm5A:
17.51
1rukL-3rm5A:
17.57
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.
3vac CFA/I FIMBRIAL
SUBUNIT E

(Escherichia
coli) 		PF07434
(CblD) 		4 ALA A 373
TYR A 345
LEU A 219
GLY A 231
 None
 0.82A 1rukH-3vacA:
3.8
1rukL-3vacA:
4.1		 1rukH-3vacA:
21.18
1rukL-3vacA:
21.63
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.
3w4q BETA-LACTAMASE

(Burkholderia
multivorans) 		PF13354
(Beta-lactamase2) 		4 ASN A 132
TYR A 105
GLY A 238
GLY A 236
 None
 0.81A 1rukH-3w4qA:
undetectable
1rukL-3w4qA:
undetectable		 1rukH-3w4qA:
20.51
1rukL-3w4qA:
19.62
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.
3wp5 CDBFV

(Neocallimastix
patriciarum) 		PF00457
(Glyco_hydro_11) 		4 ALA A  33
ASN A  38
GLY A 204
GLY A 209
 None
 0.84A 1rukH-3wp5A:
undetectable
1rukL-3wp5A:
undetectable		 1rukH-3wp5A:
22.05
1rukL-3wp5A:
23.17
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.
3zdn MONOAMINE OXIDASE N

(Aspergillus
niger) 		PF01593
(Amino_oxidase) 		4 ALA A 406
LEU A 405
GLY A 355
GLY A 368
 None
 0.85A 1rukH-3zdnA:
undetectable
1rukL-3zdnA:
undetectable		 1rukH-3zdnA:
18.79
1rukL-3zdnA:
19.43