SIMILAR PATTERNS OF AMINO ACIDS FOR 1NRU_B_DVAB6

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.
1dbn PROTEIN
(LEUKOAGGLUTININ)

(Maackia
amurensis) 		PF00139
(Lectin_legB) 		3 ALA A  54
VAL A 211
TRP A 210
 None
 0.94A 1nruB-1dbnA:
undetectable		 1nruB-1dbnA:
6.67
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.
1edg ENDOGLUCANASE A

([Clostridium]
cellulolyticum) 		PF00150
(Cellulase) 		3 ALA A  41
VAL A  82
TRP A  99
 None
 0.84A 1nruB-1edgA:
undetectable		 1nruB-1edgA:
3.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gom ENDO-1,4-BETA-XYLANA
SE

(Thermoascus
aurantiacus) 		PF00331
(Glyco_hydro_10) 		3 ALA A 186
VAL A 191
TRP A 194
 None
 0.93A 1nruB-1gomA:
undetectable		 1nruB-1gomA:
4.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h0h FORMATE
DEHYDROGENASE
SUBUNIT ALPHA

(Desulfovibrio
gigas) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		3 ALA A  77
VAL A 567
TRP A 553
 None
 0.93A 1nruB-1h0hA:
undetectable		 1nruB-1h0hA:
1.57
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.
1hcy ARTHROPODAN
HEMOCYANIN

(Panulirus
interruptus) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		3 ALA A 284
VAL A 286
TRP A 248
 None
 0.93A 1nruB-1hcyA:
undetectable		 1nruB-1hcyA:
2.85
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.
1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE

(Thermus
thermophilus) 		PF01293
(PEPCK_ATP) 		3 ALA A 349
VAL A 352
TRP A 489
 None
 0.93A 1nruB-1j3bA:
undetectable		 1nruB-1j3bA:
4.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ml4 ASPARTATE
TRANSCARBAMOYLASE

(Pyrococcus
abyssi) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		3 ALA A 299
VAL A 304
TRP A   3
 None
 0.92A 1nruB-1ml4A:
undetectable		 1nruB-1ml4A:
3.67
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.
1n5d CARBONYL
REDUCTASE/20BETA-HYD
ROXYSTEROID
DEHYDROGENASE

(Sus scrofa) 		PF00106
(adh_short) 		3 ALA A 224
VAL A 202
TRP A 276
 None
 0.93A 1nruB-1n5dA:
undetectable		 1nruB-1n5dA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q14 HST2 PROTEIN

(Saccharomyces
cerevisiae) 		PF02146
(SIR2) 		3 ALA A  16
VAL A 278
TRP A 283
 None
 0.91A 1nruB-1q14A:
undetectable		 1nruB-1q14A:
4.72
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.
1r6v SUBTILISIN-LIKE
SERINE PROTEASE

(Fervidobacterium
pennivorans) 		PF00082
(Peptidase_S8) 		3 ALA A 218
VAL A 228
TRP A 156
 None
 0.87A 1nruB-1r6vA:
undetectable		 1nruB-1r6vA:
6.33
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.
1rbl RIBULOSE 1,5
BISPHOSPHATE
CARBOXYLASE/OXYGENAS
E (LARGE CHAIN)

(Synechococcus
elongatus) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		3 ALA A  15
VAL A  17
TRP A  66
 None
 0.93A 1nruB-1rblA:
undetectable		 1nruB-1rblA:
4.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rfo WHISKER ANTIGEN
CONTROL PROTEIN

(Escherichia
virus T4) 		PF07921
(Fibritin_C) 		3 ALA A  12
VAL A  21
TRP A  20
 None
 0.81A 1nruB-1rfoA:
undetectable		 1nruB-1rfoA:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 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) 		3 ALA A 129
VAL A 123
TRP A  51
 None
 0.89A 1nruB-1sfrA:
undetectable		 1nruB-1sfrA:
6.90
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.
1ta3 ENDO-1,4-BETA-XYLANA
SE

(Aspergillus
nidulans) 		PF00331
(Glyco_hydro_10) 		3 ALA B 183
VAL B 188
TRP B 191
 None
 0.86A 1nruB-1ta3B:
undetectable		 1nruB-1ta3B:
4.09
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.
1tkc TRANSKETOLASE

(Saccharomyces
cerevisiae) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		3 ALA A 423
VAL A 453
TRP A 465
 None
 0.87A 1nruB-1tkcA:
undetectable		 1nruB-1tkcA:
1.98
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.
1wom SIGMA FACTOR SIGB
REGULATION PROTEIN
RSBQ

(Bacillus
subtilis) 		PF12697
(Abhydrolase_6) 		3 ALA A  36
VAL A  33
TRP A  34
 PGO  A 604 ( 3.9A)
PGO  A 604 (-4.8A)
None
 0.89A 1nruB-1womA:
undetectable		 1nruB-1womA:
18.33
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.
1xup GLYCEROL KINASE

(Enterococcus
casseliflavus) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		3 ALA O  62
VAL O  57
TRP O  54
 None
 0.89A 1nruB-1xupO:
undetectable		 1nruB-1xupO:
11.40
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.
2atx SMALL GTP BINDING
PROTEIN TC10

(Homo sapiens) 		PF00071
(Ras) 		3 ALA A  73
VAL A  23
TRP A 111
 GNP  A 200 ( 4.4A)
None
None
 0.90A 1nruB-2atxA:
undetectable		 1nruB-2atxA:
5.15
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.
2c4m GLYCOGEN
PHOSPHORYLASE

(Corynebacterium
callunae) 		PF00343
(Phosphorylase) 		3 ALA A 402
VAL A 325
TRP A 322
 None
 0.86A 1nruB-2c4mA:
undetectable		 1nruB-2c4mA:
3.11
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.
2gen PROBABLE
TRANSCRIPTIONAL
REGULATOR

(Pseudomonas
aeruginosa) 		PF00440
(TetR_N) 		3 ALA A 192
VAL A 190
TRP A 187
 None
 0.69A 1nruB-2genA:
undetectable		 1nruB-2genA:
8.43
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.
2gj4 GLYCOGEN
PHOSPHORYLASE,
MUSCLE FORM

(Oryctolagus
cuniculus) 		PF00343
(Phosphorylase) 		3 ALA A 818
VAL A 827
TRP A 825
 None
 0.94A 1nruB-2gj4A:
undetectable		 1nruB-2gj4A:
1.83
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.
2hor ALLIIN LYASE 1

(Allium sativum) 		PF04863
(EGF_alliinase)
PF04864
(Alliinase_C) 		3 ALA A 186
VAL A 158
TRP A 182
 None
 0.89A 1nruB-2horA:
undetectable		 1nruB-2horA:
3.85
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.
2j8x URACIL-DNA
GLYCOSYLASE

(Human
gammaherpesvirus
4) 		PF03167
(UDG) 		3 ALA A  50
VAL A  55
TRP A 167
 None
 0.86A 1nruB-2j8xA:
undetectable		 1nruB-2j8xA:
5.99
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.
2jep XYLOGLUCANASE

(Paenibacillus
pabuli) 		PF00150
(Cellulase) 		3 ALA A  54
VAL A  90
TRP A 108
 None
 0.72A 1nruB-2jepA:
undetectable		 1nruB-2jepA:
5.88
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.
2jgp TYROCIDINE
SYNTHETASE 3

(Brevibacillus
brevis) 		PF00550
(PP-binding)
PF00668
(Condensation) 		3 ALA A  32
VAL A  30
TRP A  21
 None
 0.87A 1nruB-2jgpA:
undetectable		 1nruB-2jgpA:
5.16
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.
2ogj DIHYDROOROTASE

(Agrobacterium
fabrum) 		PF01979
(Amidohydro_1) 		3 ALA A 389
VAL A 100
TRP A  73
 None
 0.87A 1nruB-2ogjA:
undetectable		 1nruB-2ogjA:
3.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q3h RAS HOMOLOG GENE
FAMILY, MEMBER U

(Homo sapiens) 		PF00071
(Ras) 		3 ALA A 105
VAL A  55
TRP A 143
 None
 0.91A 1nruB-2q3hA:
undetectable		 1nruB-2q3hA:
12.63
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.
2v72 EXO-ALPHA-SIALIDASE

(Clostridium
perfringens) 		PF00754
(F5_F8_type_C) 		3 ALA A  64
VAL A 106
TRP A  97
 None
 0.79A 1nruB-2v72A:
undetectable		 1nruB-2v72A:
4.90
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.
2xrm INTRACELLULAR
SUBTILISIN PROTEASE

(Bacillus
clausii) 		PF00082
(Peptidase_S8) 		3 ALA A  96
VAL A 106
TRP A  34
 None
 0.94A 1nruB-2xrmA:
undetectable		 1nruB-2xrmA:
4.87
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.
2z2x TK-SUBTILISIN

(Thermococcus
kodakarensis) 		PF00082
(Peptidase_S8) 		3 ALA A 163
VAL A 173
TRP A  99
 None
 0.83A 1nruB-2z2xA:
undetectable		 1nruB-2z2xA:
7.02
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.
2z2z TK-SUBTILISIN
PRECURSOR

(Thermococcus
kodakarensis) 		PF00082
(Peptidase_S8) 		3 ALA A 163
VAL A 173
TRP A  99
 None
 0.81A 1nruB-2z2zA:
undetectable		 1nruB-2z2zA:
13.33
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.
3bhi CARBONYL REDUCTASE
[NADPH] 1

(Homo sapiens) 		PF00106
(adh_short) 		3 ALA A 224
VAL A 202
TRP A 276
 None
 0.94A 1nruB-3bhiA:
undetectable		 1nruB-3bhiA:
4.35
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.
3bwn L-TRYPTOPHAN
AMINOTRANSFERASE

(Arabidopsis
thaliana) 		PF04864
(Alliinase_C) 		3 ALA A 150
VAL A 122
TRP A 146
 None
 0.93A 1nruB-3bwnA:
undetectable		 1nruB-3bwnA:
4.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cin MYO-INOSITOL-1-PHOSP
HATE
SYNTHASE-RELATED
PROTEIN

(Thermotoga
maritima) 		PF01658
(Inos-1-P_synth)
PF07994
(NAD_binding_5) 		3 ALA A 111
VAL A 116
TRP A 119
 None
 0.94A 1nruB-3cinA:
undetectable		 1nruB-3cinA:
3.05
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.
3cmg PUTATIVE
BETA-GALACTOSIDASE

(Bacteroides
fragilis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		3 ALA A 651
VAL A 658
TRP A 659
 None
 0.85A 1nruB-3cmgA:
undetectable		 1nruB-3cmgA:
1.99
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.
3cxh CYTOCHROME B-C1
COMPLEX SUBUNIT 9

(Saccharomyces
cerevisiae) 		PF05365
(UCR_UQCRX_QCR9) 		3 ALA I  57
VAL I  52
TRP I  49
 None
 0.86A 1nruB-3cxhI:
undetectable		 1nruB-3cxhI:
18.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fqd 5'-3'
EXORIBONUCLEASE 2

(Schizosaccharomyces
pombe) 		PF03159
(XRN_N) 		3 ALA A  81
VAL A  60
TRP A 157
 None
 0.92A 1nruB-3fqdA:
undetectable		 1nruB-3fqdA:
2.04
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.
3l91 ACYL-HOMOSERINE
LACTONE ACYLASE PVDQ
SUBUNIT BETA

(Pseudomonas
aeruginosa) 		PF01804
(Penicil_amidase) 		3 ALA B 363
VAL B 349
TRP B 356
 None
 0.93A 1nruB-3l91B:
undetectable		 1nruB-3l91B:
3.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m49 TRANSKETOLASE

(Bacillus
anthracis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		3 ALA A 367
VAL A 372
TRP A 342
 GOL  A 705 ( 3.8A)
None
None
 0.76A 1nruB-3m49A:
undetectable		 1nruB-3m49A:
1.88
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.
3ndy ENDOGLUCANASE D

(Clostridium
cellulovorans) 		PF00150
(Cellulase) 		3 ALA A  34
VAL A  66
TRP A  84
 None
 0.88A 1nruB-3ndyA:
undetectable		 1nruB-3ndyA:
7.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qld MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 ALA A 353
VAL A 355
TRP A 358
 None
 0.79A 1nruB-3qldA:
undetectable		 1nruB-3qldA:
3.67
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.
3ryt RAS-RELATED C3
BOTULINUM TOXIN
SUBSTRATE 1

(Homo sapiens) 		PF00071
(Ras) 		3 ALA C  59
VAL C   9
TRP C  97
 None
 0.94A 1nruB-3rytC:
undetectable		 1nruB-3rytC:
12.22
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.
3sz3 TRYPTOPHANYL-TRNA
SYNTHETASE

(Vibrio cholerae) 		PF00579
(tRNA-synt_1b) 		3 ALA A  69
VAL A  72
TRP A  28
 None
 0.83A 1nruB-3sz3A:
undetectable		 1nruB-3sz3A:
7.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vv3 DESEASIN MCP-01

(Pseudoalteromonas
sp. SM9913) 		PF00082
(Peptidase_S8) 		3 ALA A 114
VAL A 125
TRP A  34
 None
 0.90A 1nruB-3vv3A:
undetectable		 1nruB-3vv3A:
4.56
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.
3wyf GSP1P

(Saccharomyces
cerevisiae) 		PF00071
(Ras) 		3 ALA A  69
VAL A  18
TRP A 106
 GTP  A 301 ( 4.9A)
None
None
 0.87A 1nruB-3wyfA:
undetectable		 1nruB-3wyfA:
6.55
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.
3zmr CELLULASE (GLYCOSYL
HYDROLASE FAMILY 5)

(Bacteroides
ovatus) 		PF00150
(Cellulase)
PF13004
(BACON) 		3 ALA A 169
VAL A 210
TRP A 228
 None
 0.68A 1nruB-3zmrA:
undetectable		 1nruB-3zmrA:
2.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dvg RHO-LIKE SMALL
GTPASE

(Entamoeba
histolytica) 		PF00071
(Ras) 		3 ALA A  76
VAL A  26
TRP A 114
 None
 0.92A 1nruB-4dvgA:
undetectable		 1nruB-4dvgA:
9.40
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.
4e1j GLYCEROL KINASE

(Sinorhizobium
meliloti) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		3 ALA A 122
VAL A 110
TRP A 111
 None
 0.92A 1nruB-4e1jA:
undetectable		 1nruB-4e1jA:
2.80
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.
4im4 ENDOGLUCANASE E

(Ruminiclostridium
thermocellum) 		PF00150
(Cellulase) 		3 ALA A  76
VAL A 107
TRP A 125
 None
 0.91A 1nruB-4im4A:
undetectable		 1nruB-4im4A:
7.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4inz SOLUBLE EPOXIDE
HYDROLASE

(Bacillus
megaterium) 		PF00561
(Abhydrolase_1) 		3 ALA A 100
VAL A  94
TRP A  37
 None
 0.92A 1nruB-4inzA:
undetectable		 1nruB-4inzA:
2.86
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.
4j0k TANNASE

(Lactobacillus
plantarum) 		no annotation 3 ALA A 172
VAL A 407
TRP A 411
 None
 0.91A 1nruB-4j0kA:
undetectable		 1nruB-4j0kA:
3.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jbe GAMMA-GLUTAMYL
PHOSPHATE REDUCTASE

(Saccharomonospora
viridis) 		PF00171
(Aldedh) 		3 ALA A 287
VAL A 282
TRP A 279
 ALA  A 287 ( 0.0A)
VAL  A 282 ( 0.6A)
TRP  A 279 ( 0.5A)
 0.92A 1nruB-4jbeA:
undetectable		 1nruB-4jbeA:
7.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k6m POLYPROTEIN

(Japanese
encephalitis
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		3 ALA A 628
VAL A 631
TRP A 651
 None
 0.93A 1nruB-4k6mA:
undetectable		 1nruB-4k6mA:
1.88
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.
4ly4 PEPTIDOGLYCAN
DEACETYLASE

(Helicobacter
pylori) 		PF01522
(Polysacc_deac_1) 		3 ALA A  57
VAL A 276
TRP A 275
 None
 0.66A 1nruB-4ly4A:
undetectable		 1nruB-4ly4A:
11.90
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.
4mh1 SORBOSE
DEHYDROGENASE

(Ketogulonicigenium
vulgare) 		PF13360
(PQQ_2) 		3 ALA A 552
VAL A  40
TRP A 494
 None
 0.94A 1nruB-4mh1A:
undetectable		 1nruB-4mh1A:
3.29
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.
4mit RHO FAMILY GTPASE

(Entamoeba
histolytica) 		PF00071
(Ras) 		3 ALA A  66
VAL A  16
TRP A 104
 None
 0.92A 1nruB-4mitA:
undetectable		 1nruB-4mitA:
20.41
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.
4mkv RIBULOSE
BISPHOSPHATE
CARBOXYLASE LARGE
CHAIN

(Pisum sativum) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		3 ALA A  15
VAL A  17
TRP A  66
 None
 0.81A 1nruB-4mkvA:
undetectable		 1nruB-4mkvA:
3.79
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.
4mtp RNA DEPENDENT RNA
POLYMERASE

(Japanese
encephalitis
virus) 		PF00972
(Flavi_NS5) 		3 ALA A 628
VAL A 631
TRP A 651
 ALA  A 628 ( 0.0A)
VAL  A 631 ( 0.6A)
TRP  A 651 ( 0.5A)
 0.88A 1nruB-4mtpA:
undetectable		 1nruB-4mtpA:
2.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rgq GLYCEROL-1-PHOSPHATE
DEHYDROGENASE

(Methanocaldococcus
jannaschii) 		PF13685
(Fe-ADH_2) 		3 ALA A 221
VAL A 156
TRP A 159
 K  A 402 ( 3.6A)
None
None
 0.77A 1nruB-4rgqA:
undetectable		 1nruB-4rgqA:
3.22
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.
4u5x RAC-LIKE GTP-BINDING
PROTEIN 1

(Oryza sativa) 		PF00071
(Ras) 		3 ALA A  66
VAL A  16
TRP A 104
 GNP  A 201 ( 4.5A)
None
None
 0.89A 1nruB-4u5xA:
undetectable		 1nruB-4u5xA:
12.22
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.
4w87 XYLOGLUCAN-SPECIFIC
ENDO-BETA-1,4-GLUCAN
ASE

(uncultured
bacterium) 		PF00150
(Cellulase) 		3 ALA A 115
VAL A 153
TRP A 171
 None
 0.76A 1nruB-4w87A:
undetectable		 1nruB-4w87A:
9.23
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.
4xgk UDP-GALACTOPYRANOSE
MUTASE

(Corynebacterium
diphtheriae) 		PF03275
(GLF)
PF13450
(NAD_binding_8) 		3 ALA A  79
VAL A  74
TRP A  71
 None
 0.90A 1nruB-4xgkA:
undetectable		 1nruB-4xgkA:
5.61
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.
4xxp PUTATIVE
UNCHARACTERIZED
PROTEIN (RV0315
ORTHOLOG)

(Mycobacterium
avium) 		PF00722
(Glyco_hydro_16) 		3 ALA A 174
VAL A 162
TRP A 200
 None
 0.94A 1nruB-4xxpA:
undetectable		 1nruB-4xxpA:
7.64
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.
4y9s EPOXIDE HYDROLASE

(Solanum
tuberosum) 		PF00561
(Abhydrolase_1) 		3 ALA A 108
VAL A 102
TRP A  40
 None
 0.94A 1nruB-4y9sA:
undetectable		 1nruB-4y9sA:
5.11
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.
4yzt CELLULOSE HYDROLASE

(Bacillus
licheniformis) 		PF00150
(Cellulase)
PF03442
(CBM_X2) 		3 ALA A  40
VAL A  72
TRP A  90
 None
 0.81A 1nruB-4yztA:
undetectable		 1nruB-4yztA:
2.50
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.
5b4x LOW DENSITY
LIPOPROTEIN
RECEPTOR-RELATED
PROTEIN 8,
APOLIPOPROTEIN E
RECEPTOR, ISOFORM
CRA_E

(Homo sapiens) 		PF00057
(Ldl_recept_a)
PF00058
(Ldl_recept_b)
PF07645
(EGF_CA)
PF14670
(FXa_inhibition) 		3 ALA B 433
VAL B 449
TRP B 470
 None
 0.89A 1nruB-5b4xB:
undetectable		 1nruB-5b4xB:
2.23
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.
5c59 MACROLIDE EXPORT
ATP-BINDING/PERMEASE
PROTEIN MACB

(Escherichia
coli) 		PF12704
(MacB_PCD) 		3 ALA A  52
VAL A 180
TRP A  48
 None
 0.83A 1nruB-5c59A:
undetectable		 1nruB-5c59A:
6.76
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.
5d9n B-1,4-ENDOGLUCANASE

(Prevotella
bryantii) 		PF00150
(Cellulase) 		3 ALA A  32
VAL A  73
TRP A  89
 None
 0.83A 1nruB-5d9nA:
undetectable		 1nruB-5d9nA:
3.88
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.
5dac PUTATIVE
UNCHARACTERIZED
PROTEIN,PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		PF13476
(AAA_23) 		3 ALA A 149
VAL A 154
TRP A 164
 None
 0.94A 1nruB-5dacA:
undetectable		 1nruB-5dacA:
3.93
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.
5dis GTP-BINDING NUCLEAR
PROTEIN RAN

(Homo sapiens) 		PF00071
(Ras) 		3 ALA B  67
VAL B  16
TRP B 104
 GTP  B 201 ( 4.6A)
None
None
 0.89A 1nruB-5disB:
undetectable		 1nruB-5disB:
7.93
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.
5e7l CONTACTIN-2

(Mus musculus) 		PF00041
(fn3) 		3 ALA A 819
VAL A 821
TRP A 822
 None
 0.94A 1nruB-5e7lA:
undetectable		 1nruB-5e7lA:
10.67
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.
5ghe PESTICIDAL CRYSTAL
PROTEIN CRY6AA

(Bacillus
thuringiensis) 		no annotation 3 ALA A 113
VAL A 373
TRP A 370
 None
 0.90A 1nruB-5gheA:
undetectable		 1nruB-5gheA:
2.25
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.
5gnx BETA-GLUCOSIDASE

(metagenome) 		PF00232
(Glyco_hydro_1) 		3 ALA A 198
VAL A 196
TRP A 253
 None
 0.94A 1nruB-5gnxA:
undetectable		 1nruB-5gnxA:
4.25
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.
5h4r BETA-1,3-1,4-GLUCANA
SE

(Caldicellulosiruptor
sp. F32) 		PF00150
(Cellulase) 		3 ALA A  59
VAL A 101
TRP A 118
 None
 0.81A 1nruB-5h4rA:
undetectable		 1nruB-5h4rA:
3.33
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.
5h98 GEOBACTER
METALLIREDUCENS
SMUG1

(Geobacter
metallireducens) 		no annotation 3 ALA A 135
VAL A  69
TRP A 115
 None
 0.80A 1nruB-5h98A:
undetectable		 1nruB-5h98A:
9.24
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.
5hzh RAS-RELATED C3
BOTULINUM TOXIN
SUBSTRATE
1,NPH1-1,RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1

(Avena sativa;
Homo sapiens) 		PF00071
(Ras)
PF13426
(PAS_9) 		3 ALA A 208
VAL A   9
TRP A 246
 None
 0.94A 1nruB-5hzhA:
undetectable		 1nruB-5hzhA:
6.00
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.
5i51 TRANSKETOLASE

(Scheffersomyces
stipitis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		3 ALA A 420
VAL A 450
TRP A 462
 None
 0.87A 1nruB-5i51A:
undetectable		 1nruB-5i51A:
1.75
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.
5jcp ARF-GAP WITH RHO-GAP
DOMAIN, ANK REPEAT
AND PH
DOMAIN-CONTAINING
PROTEIN
3,LINKER,TRANSFORMIN
G PROTEIN RHOA

(Homo sapiens;
synthetic
construct) 		no annotation 3 ALA B  61
VAL B  11
TRP B  99
 ALF  B1203 ( 4.7A)
None
None
 0.91A 1nruB-5jcpB:
undetectable		 1nruB-5jcpB:
3.05
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.
5kdx METALLOPEPTIDASE

(Pseudomonas
aeruginosa) 		PF13402
(Peptidase_M60) 		3 ALA A 670
VAL A 666
TRP A 685
 None
 0.86A 1nruB-5kdxA:
undetectable		 1nruB-5kdxA:
3.40
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.
5kuc PESTICIDAL CRYSTAL
PROTEIN CRY6AA

(Bacillus
thuringiensis) 		no annotation 3 ALA A 113
VAL A 373
TRP A 370
 None
 0.92A 1nruB-5kucA:
undetectable		 1nruB-5kucA:
2.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lc5 NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
2

(Bos taurus) 		PF00361
(Proton_antipo_M)
PF06444
(NADH_dehy_S2_C) 		3 ALA N  94
VAL N  74
TRP N  26
 None
 0.93A 1nruB-5lc5N:
undetectable		 1nruB-5lc5N:
3.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lj8 MACROLIDE EXPORT
ATP-BINDING/PERMEASE
PROTEIN MACB

(Escherichia
coli) 		no annotation 3 ALA A 348
VAL A 476
TRP A 344
 None
 0.86A 1nruB-5lj8A:
undetectable		 1nruB-5lj8A:
7.25
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.
5nbs BETA-GLUCOSIDASE

(Neurospora
crassa) 		no annotation 3 ALA A 528
VAL A 533
TRP A 536
 NAG  A1141 ( 3.8A)
None
None
 0.94A 1nruB-5nbsA:
undetectable		 1nruB-5nbsA:
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.
5nv3 RIBULOSE
BISPHOSPHATE
CARBOXYLASE LARGE
CHAIN

(Rhodobacter
sphaeroides) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		3 ALA A  16
VAL A  18
TRP A  68
 None
 0.93A 1nruB-5nv3A:
undetectable		 1nruB-5nv3A:
3.90
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.
5oyd CELLULASE, PUTATIVE,
CEL5D

(Cellvibrio
japonicus) 		no annotation 3 ALA A 136
VAL A 168
TRP A 185
 None
 0.58A 1nruB-5oydA:
undetectable		 1nruB-5oydA:
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.
5tdg FUSION GLYCOPROTEIN
F0,FIBRITIN

(Bovine
orthopneumovirus;
Enterobacteria
phage T4 sensu
lato) 		PF00523
(Fusion_gly)
PF07921
(Fibritin_C) 		3 ALA A 529
VAL A 538
TRP A 537
 None
 0.91A 1nruB-5tdgA:
undetectable		 1nruB-5tdgA:
2.61
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.
5ubk ACYL-HOMOSERINE
LACTONE ACYLASE PVDQ

(Pseudomonas
aeruginosa) 		PF01804
(Penicil_amidase) 		3 ALA A 147
VAL A 133
TRP A 140
 None
 0.83A 1nruB-5ubkA:
undetectable		 1nruB-5ubkA:
1.89
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.
5v2m MEVALONATE
DIPHOSPHATE
DECARBOXYLASE

(Enterococcus
faecalis) 		no annotation 3 ALA A 249
VAL A 199
TRP A  18
 None
 0.71A 1nruB-5v2mA:
undetectable		 1nruB-5v2mA:
4.23
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.
5wsl KERATINASE

(Meiothermus
taiwanensis) 		no annotation 3 ALA A  55
VAL A  96
TRP A 116
 None
 0.91A 1nruB-5wslA:
undetectable		 1nruB-5wslA:
5.61
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.
5xd0 GLUCANASE

(Paenibacillus
sp. X4) 		PF01270
(Glyco_hydro_8) 		3 ALA A 238
VAL A 243
TRP A 201
 None
 0.84A 1nruB-5xd0A:
undetectable		 1nruB-5xd0A:
2.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y7l -

(-) 		no annotation 3 ALA A  98
VAL A  87
TRP A 133
 None
 0.79A 1nruB-5y7lA:
undetectable		 1nruB-5y7lA:
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.
5zgb LHCR3

(Cyanidioschyzon
merolae) 		no annotation 3 ALA 3 114
VAL 3 119
TRP 3  47
 None
None
CLA  3 208 (-3.4A)
 0.85A 1nruB-5zgb3:
undetectable		 1nruB-5zgb3:
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.
5zvs PUTATIVE CORE
PROTEIN NTPASE/VP5

(Aquareovirus C) 		no annotation 3 ALA 4 243
VAL 4 248
TRP 4 257
 None
 0.74A 1nruB-5zvs4:
undetectable		 1nruB-5zvs4:
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.
6baa ATP-SENSITIVE INWARD
RECTIFIER POTASSIUM
CHANNEL 11

(Rattus
norvegicus) 		no annotation 3 ALA A  94
VAL A  89
TRP A  90
 None
 0.94A 1nruB-6baaA:
undetectable		 1nruB-6baaA:
5.74
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.
6c7s PUTATIVE RIFAMPIN
MONOOXYGENASE

(Nocardia
farcinica) 		no annotation 3 ALA A  80
VAL A  71
TRP A  82
 None
 0.94A 1nruB-6c7sA:
undetectable		 1nruB-6c7sA:
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.
6ck0 BIOTIN ACETYL
COENZYME A
CARBOXYLASE
SYNTHETASE

(Helicobacter
pylori) 		no annotation 3 ALA A 170
VAL A 165
TRP A 162
 None
 0.90A 1nruB-6ck0A:
undetectable		 1nruB-6ck0A:
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.
6f0q PIZZA6-AYW

(synthetic
construct) 		no annotation 3 ALA A  82
VAL A  68
TRP A  69
 None
 0.94A 1nruB-6f0qA:
undetectable		 1nruB-6f0qA:
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.
6f9m SERINE PROTEASE

(Planococcus
plakortidis) 		no annotation 3 ALA A  96
VAL A 107
TRP A  34
 NA  A 402 ( 4.7A)
None
None
 0.89A 1nruB-6f9mA:
undetectable		 1nruB-6f9mA:
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.
6gy6 -

(-) 		no annotation 3 ALA B 312
VAL B 307
TRP B 308
 None
 0.88A 1nruB-6gy6B:
undetectable		 1nruB-6gy6B:
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.
6req PROTEIN
(METHYLMALONYL-COA
MUTASE)

(Propionibacterium
freudenreichii) 		PF01642
(MM_CoA_mutase) 		3 ALA B 538
VAL B 534
TRP B 535
 None
 0.78A 1nruB-6reqB:
undetectable		 1nruB-6reqB:
4.88