SIMILAR PATTERNS OF AMINO ACIDS FOR 2NYU_B_SAMB201_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.
1dj3 ADENYLOSUCCINATE
SYNTHETASE

(Triticum
aestivum) 		PF00709
(Adenylsucc_synt) 		4 ALA A 121
ASP A 168
ASP A 173
ASP A 119
 None
 1.18A 2nyuB-1dj3A:
undetectable		 2nyuB-1dj3A:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e6y METHYL-COENZYME M
REDUCTASE SUBUNIT
GAMMA

(Methanosarcina
barkeri) 		PF02240
(MCR_gamma) 		4 ALA C3045
ASP C3036
ASP C3199
ASP C3195
 None
 1.04A 2nyuB-1e6yC:
undetectable		 2nyuB-1e6yC:
21.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1eiz FTSJ

(Escherichia
coli) 		PF01728
(FtsJ) 		4 PRO A  62
ASP A  83
ASP A  99
ASP A  57
 SAM  A 301 (-3.4A)
SAM  A 301 (-2.8A)
SAM  A 301 (-3.5A)
None
 1.19A 2nyuB-1eizA:
26.5		 2nyuB-1eizA:
36.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1eiz FTSJ

(Escherichia
coli) 		PF01728
(FtsJ) 		4 PRO A  62
ASP A  83
ASP A  99
ASP A 124
 SAM  A 301 (-3.4A)
SAM  A 301 (-2.8A)
SAM  A 301 (-3.5A)
SAM  A 301 (-3.6A)
 0.44A 2nyuB-1eizA:
26.5		 2nyuB-1eizA:
36.46
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.
1gnx BETA-GLUCOSIDASE

(Streptomyces
sp.) 		PF00232
(Glyco_hydro_1) 		4 ALA A 386
ASP A 434
ASP A 452
ASP A 400
 None
 1.18A 2nyuB-1gnxA:
undetectable		 2nyuB-1gnxA:
21.36
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.
1jxk ALPHA-AMYLASE,
SALIVARY

(Homo sapiens) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		4 PRO A 130
ALA A 128
ASP A 135
ASP A 125
 None
 1.20A 2nyuB-1jxkA:
undetectable		 2nyuB-1jxkA:
17.85
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.
1klp MEROMYCOLATE
EXTENSION ACYL
CARRIER PROTEIN

(Mycobacterium
tuberculosis) 		PF00550
(PP-binding) 		4 PRO A  29
ALA A  90
ASP A  38
ASP A 101
 None
 1.18A 2nyuB-1klpA:
undetectable		 2nyuB-1klpA:
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.
1kyw CAFFEIC ACID
3-O-METHYLTRANSFERAS
E

(Medicago sativa) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		4 ALA A 213
ASP A 231
ASP A 251
ASP A 206
 None
 1.13A 2nyuB-1kywA:
11.1		 2nyuB-1kywA:
19.35
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.
1mh6 BLEOMYCIN RESISTANCE
PROTEIN

(Klebsiella
pneumoniae) 		no annotation 4 ALA A 218
ASP A 310
ASP A 254
ASP A 213
 None
 1.20A 2nyuB-1mh6A:
undetectable		 2nyuB-1mh6A:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mpp PEPSIN

(Rhizomucor
pusillus) 		PF00026
(Asp) 		4 PRO A  17
ALA A  15
ASP A  87
ASP A 118
 None
 1.00A 2nyuB-1mppA:
undetectable		 2nyuB-1mppA:
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.
1mro METHYL-COENZYME M
REDUCTASE

(Methanothermobacter
marburgensis) 		PF02240
(MCR_gamma) 		4 PRO C 198
ASP C  35
ASP C  33
ASP C 200
 None
 1.15A 2nyuB-1mroC:
undetectable		 2nyuB-1mroC:
19.37
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.
1n21 (+)-BORNYL
DIPHOSPHATE SYNTHASE

(Salvia
officinalis) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		4 PRO A 511
ASP A 509
ASP A 352
ASP A 497
 None
MG  A 701 ( 4.4A)
None
None
 1.12A 2nyuB-1n21A:
undetectable		 2nyuB-1n21A:
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.
1qox BETA-GLUCOSIDASE

(Bacillus
circulans) 		PF00232
(Glyco_hydro_1) 		4 ALA A 358
ASP A 406
ASP A 424
ASP A 372
 None
 1.18A 2nyuB-1qoxA:
undetectable		 2nyuB-1qoxA:
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.
1sqg SUN PROTEIN

(Escherichia
coli) 		PF01029
(NusB)
PF01189
(Methyltr_RsmB-F) 		4 PRO A 257
ASP A 277
ASP A 303
ASP A 252
 None
 1.00A 2nyuB-1sqgA:
11.8		 2nyuB-1sqgA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sqg SUN PROTEIN

(Escherichia
coli) 		PF01029
(NusB)
PF01189
(Methyltr_RsmB-F) 		4 PRO A 257
ASP A 277
ASP A 303
ASP A 322
 None
 0.62A 2nyuB-1sqgA:
11.8		 2nyuB-1sqgA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ted PKS18

(Mycobacterium
tuberculosis) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		4 PRO A  99
ALA A 100
ASP A  89
ASP A 104
 PRO  A  99 ( 1.1A)
ALA  A 100 ( 0.0A)
ASP  A  89 ( 0.5A)
ASP  A 104 ( 0.6A)
 1.19A 2nyuB-1tedA:
undetectable		 2nyuB-1tedA:
21.73
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.
1tuo PUTATIVE
PHOSPHOMANNOMUTASE

(Thermus
thermophilus) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		4 PRO A  87
ALA A 252
ASP A 122
ASP A 347
 None
 1.19A 2nyuB-1tuoA:
2.0		 2nyuB-1tuoA:
18.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w2w 5-METHYLTHIORIBOSE-1
-PHOSPHATE ISOMERASE
5-METHYLTHIORIBOSE-1
-PHOSPHATE ISOMERASE

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF01008
(IF-2B)
PF01008
(IF-2B) 		4 PRO A  54
ALA A  55
ASP B 280
ASP B 380
 None
None
SO4  A1212 (-3.8A)
None
 1.20A 2nyuB-1w2wA:
undetectable		 2nyuB-1w2wA:
20.00
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.
1xfk FORMIMIDOYLGLUTAMASE

(Vibrio cholerae) 		PF00491
(Arginase) 		4 PRO A 179
ALA A 130
ASP A 215
ASP A 157
 None
 1.11A 2nyuB-1xfkA:
3.4		 2nyuB-1xfkA:
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.
1z1w TRICORN PROTEASE
INTERACTING FACTOR
F3

(Thermoplasma
acidophilum) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		4 PRO A 739
ALA A 741
ASP A 737
ASP A 707
 None
 1.17A 2nyuB-1z1wA:
undetectable		 2nyuB-1z1wA:
14.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a0u INITIATION FACTOR 2B

(Leishmania
major) 		PF01008
(IF-2B) 		4 PRO A  64
ALA A  65
ASP A 265
ASP A 347
 None
None
SO4  A 402 ( 4.3A)
None
 1.20A 2nyuB-2a0uA:
3.5		 2nyuB-2a0uA:
22.61
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.
2b9e NOL1/NOP2/SUN DOMAIN
FAMILY, MEMBER 5
ISOFORM 2

(Homo sapiens) 		PF01189
(Methyltr_RsmB-F) 		4 PRO A 237
ASP A 258
ASP A 285
ASP A 232
 SAM  A1201 (-3.7A)
SAM  A1201 (-2.6A)
SAM  A1201 (-3.6A)
SAM  A1201 ( 4.4A)
 1.02A 2nyuB-2b9eA:
11.8		 2nyuB-2b9eA:
23.76
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.
2b9e NOL1/NOP2/SUN DOMAIN
FAMILY, MEMBER 5
ISOFORM 2

(Homo sapiens) 		PF01189
(Methyltr_RsmB-F) 		4 PRO A 237
ASP A 258
ASP A 285
ASP A 305
 SAM  A1201 (-3.7A)
SAM  A1201 (-2.6A)
SAM  A1201 (-3.6A)
SAM  A1201 (-3.7A)
 0.39A 2nyuB-2b9eA:
11.8		 2nyuB-2b9eA:
23.76
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.
2dpm PROTEIN
(ADENINE-SPECIFIC
METHYLTRANSFERASE
DPNII 1)

(Streptococcus
pneumoniae) 		PF02086
(MethyltransfD12) 		4 ALA A  48
ASP A  62
ASP A 177
ASP A 194
 SAM  A 300 (-3.5A)
SAM  A 300 (-2.8A)
SAM  A 300 (-4.1A)
SAM  A 300 (-3.7A)
 1.04A 2nyuB-2dpmA:
undetectable		 2nyuB-2dpmA:
20.77
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.
2e1d TRANSALDOLASE

(Mus musculus) 		PF00923
(TAL_FSA) 		4 PRO A  56
ALA A  57
ASP A 318
ASP A  30
 None
 1.17A 2nyuB-2e1dA:
undetectable		 2nyuB-2e1dA:
22.83
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.
2j7c BETA-GLUCOSIDASE A

(Thermotoga
maritima) 		PF00232
(Glyco_hydro_1) 		4 ALA A 354
ASP A 402
ASP A 420
ASP A 368
 None
 1.18A 2nyuB-2j7cA:
undetectable		 2nyuB-2j7cA:
18.03
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.
2mse SERINE/THREONINE-PRO
TEIN KINASE A-RAF

(Homo sapiens) 		PF02196
(RBD) 		4 PRO D 869
ALA D 866
ASP D 871
ASP D 826
 None
 1.13A 2nyuB-2mseD:
undetectable		 2nyuB-2mseD:
21.99
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.
2n1b GTP-BINDING NUCLEAR
PROTEIN RAN

(Homo sapiens) 		PF00071
(Ras) 		4 ALA A 151
ASP A 148
ASP A 200
ASP A 125
 None
 0.90A 2nyuB-2n1bA:
undetectable		 2nyuB-2n1bA:
22.35
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.
2nq9 ENDONUCLEASE 4

(Escherichia
coli) 		PF01261
(AP_endonuc_2) 		4 PRO A 193
ALA A 194
ASP A 179
ASP A 189
 None
None
ZN  A 402 (-3.2A)
None
 1.14A 2nyuB-2nq9A:
undetectable		 2nyuB-2nq9A:
20.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2nyu PUTATIVE RIBOSOMAL
RNA
METHYLTRANSFERASE 2

(Homo sapiens) 		PF01728
(FtsJ) 		5 PRO A  33
ALA A  35
ASP A  62
ASP A  79
ASP A 104
 SAM  A 201 (-3.4A)
SAM  A 201 (-3.2A)
SAM  A 201 (-2.8A)
SAM  A 201 (-3.3A)
SAM  A 201 (-3.7A)
 0.18A 2nyuB-2nyuA:
35.5		 2nyuB-2nyuA:
100.00
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.
2o3j UDP-GLUCOSE
6-DEHYDROGENASE

(Caenorhabditis
elegans) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		4 PRO A  60
ALA A 175
ASP A  63
ASP A  53
 None
 1.14A 2nyuB-2o3jA:
5.0		 2nyuB-2o3jA:
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.
2p35 TRANS-ACONITATE
2-METHYLTRANSFERASE

(Agrobacterium
fabrum) 		PF13489
(Methyltransf_23) 		4 PRO A  41
ASP A  61
ASP A  83
ASP A  36
 None
SAH  A 301 (-2.7A)
SAH  A 301 (-3.2A)
SAH  A 301 ( 4.4A)
 1.06A 2nyuB-2p35A:
13.6		 2nyuB-2p35A:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rmp MUCOROPEPSIN

(Rhizomucor
miehei) 		PF00026
(Asp) 		4 PRO A  23
ALA A  21
ASP A  94
ASP A 130
 None
 0.99A 2nyuB-2rmpA:
undetectable		 2nyuB-2rmpA:
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.
2v4j SULFITE REDUCTASE,
DISSIMILATORY-TYPE
SUBUNIT ALPHA

(Desulfovibrio
vulgaris) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		4 PRO A  88
ALA A  95
ASP A  59
ASP A  49
 None
 1.05A 2nyuB-2v4jA:
undetectable		 2nyuB-2v4jA:
20.19
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.
2wtn EST1E

(Butyrivibrio
proteoclasticus) 		PF08386
(Abhydrolase_4)
PF12146
(Hydrolase_4) 		4 PRO A 201
ALA A 204
ASP A 197
ASP A 228
 None
 1.17A 2nyuB-2wtnA:
3.6		 2nyuB-2wtnA:
23.62
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.
2x66 PRNB

(Pseudomonas
fluorescens) 		PF08933
(DUF1864) 		4 PRO A 198
ALA A 320
ASP A 136
ASP A 203
 None
HEM  A1359 (-3.5A)
None
None
 1.12A 2nyuB-2x66A:
undetectable		 2nyuB-2x66A:
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.
2xmr PROTEIN NDRG2

(Homo sapiens) 		PF03096
(Ndr) 		4 ALA A 251
ASP A 158
ASP A 228
ASP A 255
 None
 1.11A 2nyuB-2xmrA:
undetectable		 2nyuB-2xmrA:
23.83
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.
2y5j DIHYDROPTEROATE
SYNTHASE

(Burkholderia
cenocepacia) 		PF00809
(Pterin_bind) 		4 PRO A 105
ALA A 106
ASP A 121
ASP A 191
 None
 1.12A 2nyuB-2y5jA:
undetectable		 2nyuB-2y5jA:
20.79
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.
2yxl 450AA LONG
HYPOTHETICAL FMU
PROTEIN

(Pyrococcus
horikoshii) 		PF01189
(Methyltr_RsmB-F)
PF17125
(Methyltr_RsmF_N) 		4 PRO A 270
ASP A 291
ASP A 318
ASP A 265
 SFG  A5748 (-3.6A)
SFG  A5748 (-2.9A)
SFG  A5748 (-3.7A)
SFG  A5748 ( 4.4A)
 1.02A 2nyuB-2yxlA:
11.9		 2nyuB-2yxlA:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yxl 450AA LONG
HYPOTHETICAL FMU
PROTEIN

(Pyrococcus
horikoshii) 		PF01189
(Methyltr_RsmB-F)
PF17125
(Methyltr_RsmF_N) 		4 PRO A 270
ASP A 291
ASP A 318
ASP A 337
 SFG  A5748 (-3.6A)
SFG  A5748 (-2.9A)
SFG  A5748 (-3.7A)
SFG  A5748 (-3.6A)
 0.46A 2nyuB-2yxlA:
11.9		 2nyuB-2yxlA:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3anx SPERMIDINE SYNTHASE

(Thermus
thermophilus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 ALA A  90
ASP A 108
ASP A 140
ASP A 158
 None
MTA  A 315 (-3.3A)
MTA  A 315 (-3.9A)
MTA  A 315 (-4.9A)
 0.62A 2nyuB-3anxA:
10.9		 2nyuB-3anxA:
20.25
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.
3aoe GLUTAMATE
DEHYDROGENASE

(Thermus
thermophilus) 		no annotation 4 PRO E 184
ALA E 162
ASP E 194
ASP E 157
 None
 1.17A 2nyuB-3aoeE:
5.6		 2nyuB-3aoeE:
18.91
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.
3bga BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		4 PRO A  66
ALA A  51
ASP A 237
ASP A  55
 None
 0.97A 2nyuB-3bgaA:
undetectable		 2nyuB-3bgaA:
11.71
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.
3c3p METHYLTRANSFERASE

(Geobacter
sulfurreducens) 		PF01596
(Methyltransf_3) 		5 PRO A  62
ALA A 120
ASP A  87
ASP A  91
ASP A 115
 None
None
EDO  A 215 (-3.0A)
EDO  A 216 (-3.6A)
None
 1.03A 2nyuB-3c3pA:
12.5		 2nyuB-3c3pA:
23.27
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.
3dou RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J

(Thermoplasma
volcanium) 		PF01728
(FtsJ) 		4 PRO A  49
ASP A  67
ASP A  83
ASP A 111
 SAM  A   1 (-3.5A)
SAM  A   1 (-2.7A)
SAM  A   1 (-3.6A)
SAM  A   1 (-3.7A)
 0.47A 2nyuB-3douA:
25.3		 2nyuB-3douA:
26.87
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.
3dul O-METHYLTRANSFERASE,
PUTATIVE

(Bacillus cereus) 		PF01596
(Methyltransf_3) 		4 PRO A 147
ALA A 148
ASP A 214
ASP A 142
 None
 1.11A 2nyuB-3dulA:
13.5		 2nyuB-3dulA:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF14710
(Nitr_red_alph_N) 		4 PRO A 370
ALA A 363
ASP A 335
ASP A 359
 None
 1.14A 2nyuB-3egwA:
4.0		 2nyuB-3egwA:
10.32
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.
3h20 REPLICATION PROTEIN
B

(Plasmid RSF1010) 		PF16793
(RepB_primase) 		4 PRO A 135
ALA A 136
ASP A  86
ASP A  78
 None
 1.18A 2nyuB-3h20A:
undetectable		 2nyuB-3h20A:
23.71
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.
3h6e CARBOHYDRATE KINASE,
FGGY

(Novosphingobium
aromaticivorans) 		PF00370
(FGGY_N) 		4 ALA A 235
ASP A 422
ASP A  29
ASP A  10
 None
 1.16A 2nyuB-3h6eA:
undetectable		 2nyuB-3h6eA:
18.84
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.
3k8r UNCHARACTERIZED
PROTEIN

(Rhodospirillum
rubrum) 		PF10387
(DUF2442) 		4 PRO A  51
ALA A  49
ASP A  64
ASP A  32
 None
 1.19A 2nyuB-3k8rA:
undetectable		 2nyuB-3k8rA:
21.35
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.
3ldf PUTATIVE
UNCHARACTERIZED
PROTEIN SMU.776

(Streptococcus
mutans) 		PF10672
(Methyltrans_SAM) 		4 ALA A 225
ASP A 242
ASP A 271
ASP A 292
 SAH  A 401 ( 4.8A)
SAH  A 401 (-2.8A)
SAH  A 401 (-3.2A)
SAH  A 401 (-3.5A)
 0.73A 2nyuB-3ldfA:
12.2		 2nyuB-3ldfA:
19.48
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.
3p9c CAFFEIC ACID
O-METHYLTRANSFERASE

(Lolium perenne) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		4 ALA A 210
ASP A 228
ASP A 248
ASP A 203
 ACT  A 901 (-3.5A)
SAH  A 401 (-2.9A)
SAH  A 401 (-3.6A)
SAH  A 401 ( 4.5A)
 1.17A 2nyuB-3p9cA:
11.4		 2nyuB-3p9cA:
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.
3qqc DNA-DIRECTED RNA
POLYMERASE SUBUNIT
B, DNA-DIRECTED RNA
POLYMERASE SUBUNIT
A', DNA-DIRECTED RNA
POLYMERASE SUBUNIT
A''

(Pyrococcus
furiosus) 		PF04560
(RNA_pol_Rpb2_7)
PF04997
(RNA_pol_Rpb1_1) 		4 PRO A 282
ALA A 286
ASP A  94
ASP A 300
 None
 1.12A 2nyuB-3qqcA:
undetectable		 2nyuB-3qqcA:
18.41
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.
3s4t AMIDOHYDROLASE 2

(Polaromonas sp.
JS666) 		PF04909
(Amidohydro_2) 		4 PRO A 102
ALA A  73
ASP A 143
ASP A 133
 None
 0.92A 2nyuB-3s4tA:
undetectable		 2nyuB-3s4tA:
19.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t0p DNA POLYMERASE III,
BETA SUBUNIT

([Eubacterium]
rectale) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		4 PRO A 343
ALA A 345
ASP A 288
ASP A 253
 None
 1.19A 2nyuB-3t0pA:
undetectable		 2nyuB-3t0pA:
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.
3t6w LACCASE

(Steccherinum
ochraceum) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 ALA A 244
ASP A 151
ASP A 169
ASP A 456
 CU  A 502 ( 4.6A)
None
None
None
 1.15A 2nyuB-3t6wA:
undetectable		 2nyuB-3t6wA:
15.54
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.
3vse PUTATIVE
UNCHARACTERIZED
PROTEIN

(Staphylococcus
aureus) 		PF10672
(Methyltrans_SAM) 		4 ALA A 227
ASP A 243
ASP A 272
ASP A 293
 SAH  A 401 ( 4.7A)
SAH  A 401 (-2.7A)
SAH  A 401 (-3.0A)
SAH  A 401 (-3.2A)
 0.71A 2nyuB-3vseA:
14.9		 2nyuB-3vseA:
16.87
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.
3w53 BETA-GLUCOSIDASE

(Micrococcus
antarcticus) 		PF00232
(Glyco_hydro_1) 		4 ALA A 380
ASP A 428
ASP A 446
ASP A 394
 None
 1.12A 2nyuB-3w53A:
undetectable		 2nyuB-3w53A:
18.98
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.
3zjk BETA GLYCOSIDASE

(Thermus
thermophilus) 		PF00232
(Glyco_hydro_1) 		4 ALA A 341
ASP A 389
ASP A 407
ASP A 355
 None
 1.11A 2nyuB-3zjkA:
undetectable		 2nyuB-3zjkA:
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.
4abn TETRATRICOPEPTIDE
REPEAT PROTEIN 5

(Mus musculus) 		PF16669
(TTC5_OB) 		4 ALA A 220
ASP A  28
ASP A  21
ASP A 178
 None
 1.06A 2nyuB-4abnA:
undetectable		 2nyuB-4abnA:
18.32
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.
4auk RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M

(Escherichia
coli) 		PF01728
(FtsJ) 		4 PRO A 222
ASP A 240
ASP A 260
ASP A 277
 None
EDO  A1373 (-3.1A)
None
None
 0.96A 2nyuB-4aukA:
15.6		 2nyuB-4aukA:
20.05
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.
4bfr PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC S
SUBUNIT BETA ISOFORM

(Mus musculus) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd) 		4 ALA A 583
ASP A 387
ASP A 382
ASP A 581
 None
 0.97A 2nyuB-4bfrA:
undetectable		 2nyuB-4bfrA:
12.33
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.
4bz4 COPPER-REPRESSIBLE
POLYPEPTIDE

(Methylomicrobium
album) 		no annotation 4 PRO A 201
ALA A 198
ASP A 158
ASP A 152
 None
None
None
CA  A1233 (-3.2A)
 1.20A 2nyuB-4bz4A:
undetectable		 2nyuB-4bz4A:
21.34
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.
4e1e FARNESYL
PYROPHOSPHATE
SYNTHASE

(Trypanosoma
cruzi) 		PF00348
(polyprenyl_synt) 		4 PRO A 302
ALA A 303
ASP A 102
ASP A 299
 None
None
MG  A 403 (-2.4A)
None
 1.16A 2nyuB-4e1eA:
undetectable		 2nyuB-4e1eA:
18.89
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.
4ep6 CYTOCHROME P450-LIKE
PROTEIN XPLA

(Rhodococcus
rhodochrous) 		PF00067
(p450) 		4 PRO A 487
ALA A 490
ASP A 483
ASP A 477
 None
 1.02A 2nyuB-4ep6A:
undetectable		 2nyuB-4ep6A:
20.76
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.
4fln PROTEASE DO-LIKE 2,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 PRO A 424
ALA A 401
ASP A 188
ASP A 190
ASP A 310
 None
 1.26A 2nyuB-4flnA:
undetectable		 2nyuB-4flnA:
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.
4fzv PUTATIVE
METHYLTRANSFERASE
NSUN4

(Homo sapiens) 		PF01189
(Methyltr_RsmB-F) 		4 PRO A 185
ASP A 204
ASP A 237
ASP A 179
 SAM  A 401 (-3.6A)
SAM  A 401 (-2.9A)
SAM  A 401 (-3.5A)
SAM  A 401 ( 4.2A)
 1.13A 2nyuB-4fzvA:
9.4		 2nyuB-4fzvA:
19.22
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.
4fzv PUTATIVE
METHYLTRANSFERASE
NSUN4

(Homo sapiens) 		PF01189
(Methyltr_RsmB-F) 		4 PRO A 185
ASP A 204
ASP A 237
ASP A 255
 SAM  A 401 (-3.6A)
SAM  A 401 (-2.9A)
SAM  A 401 (-3.5A)
SAM  A 401 (-3.7A)
 0.42A 2nyuB-4fzvA:
9.4		 2nyuB-4fzvA:
19.22
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.
4g6c BETA-HEXOSAMINIDASE
1

(Burkholderia
cenocepacia) 		PF00933
(Glyco_hydro_3) 		4 PRO A  28
ALA A  26
ASP A 279
ASP A  59
 None
 1.15A 2nyuB-4g6cA:
undetectable		 2nyuB-4g6cA:
21.55
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.
4h1s 5'-NUCLEOTIDASE

(Homo sapiens) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		4 PRO A 416
ALA A 413
ASP A 524
ASP A 522
 None
 1.07A 2nyuB-4h1sA:
undetectable		 2nyuB-4h1sA:
17.90
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.
4hz8 BETA-GLUCOSIDASE

(uncultured
bacterium) 		PF00232
(Glyco_hydro_1) 		4 ALA A 390
ASP A 438
ASP A 456
ASP A 404
 None
 1.16A 2nyuB-4hz8A:
undetectable		 2nyuB-4hz8A:
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.
4lxf TREHALOSE SYNTHASE

(Mycobacterium
tuberculosis) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		4 PRO A 214
ALA A 215
ASP A 212
ASP A 162
 None
 1.16A 2nyuB-4lxfA:
undetectable		 2nyuB-4lxfA:
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.
4maq PUTATIVE
FUMARYLPYRUVATE
HYDROLASE

(Burkholderia
cenocepacia) 		PF01557
(FAA_hydrolase) 		4 PRO A 210
ALA A 230
ASP A 212
ASP A 164
 None
 1.08A 2nyuB-4maqA:
undetectable		 2nyuB-4maqA:
22.76
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.
4nmn REPLICATIVE DNA
HELICASE

(Aquifex
aeolicus) 		PF00772
(DnaB)
PF03796
(DnaB_C) 		4 PRO A 290
ALA A 291
ASP A 287
ASP A 296
 None
 0.90A 2nyuB-4nmnA:
3.3		 2nyuB-4nmnA:
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.
4nux INTERLEUKIN-17
RECEPTOR A

(Homo sapiens) 		PF08357
(SEFIR) 		4 PRO A 493
ALA A 494
ASP A 515
ASP A 489
 None
 1.21A 2nyuB-4nuxA:
undetectable		 2nyuB-4nuxA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ptx GLYCOSIDE HYDROLASE
FAMILY 1

(Halothermothrix
orenii) 		PF00232
(Glyco_hydro_1) 		4 ALA A 357
ASP A 405
ASP A 423
ASP A 371
 None
 1.12A 2nyuB-4ptxA:
undetectable		 2nyuB-4ptxA:
16.81
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.
4u98 MALTOKINASE

(Mycolicibacterium
vanbaalenii) 		PF01636
(APH) 		4 PRO A 432
ALA A 414
ASP A 374
ASP A 437
 None
 1.19A 2nyuB-4u98A:
undetectable		 2nyuB-4u98A:
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.
4wwh ABC TRANSPORTER

(Mycolicibacterium
smegmatis) 		PF13407
(Peripla_BP_4) 		4 PRO A  46
ALA A 101
ASP A  78
ASP A 178
 None
None
None
GAL  A 401 (-2.8A)
 1.21A 2nyuB-4wwhA:
4.4		 2nyuB-4wwhA:
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.
5by3 BTGH115A

(Bacteroides
thetaiotaomicron) 		PF15979
(Glyco_hydro_115) 		4 PRO A 270
ALA A 271
ASP A 316
ASP A 264
 None
 1.20A 2nyuB-5by3A:
undetectable		 2nyuB-5by3A:
13.48
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.
5cvv (ISO)EUGENOL
O-METHYLTRANSFERASE

(Clarkia breweri) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		4 ALA A 216
ASP A 234
ASP A 254
ASP A 209
 None
SAH  A 401 (-2.8A)
SAH  A 401 (-3.5A)
SAH  A 401 ( 4.6A)
 1.19A 2nyuB-5cvvA:
11.0		 2nyuB-5cvvA:
18.82
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.
5cyr RNA-DEPENDENT RNA
POLYMERASE

(Thosea asigna
virus) 		no annotation 4 PRO B 398
ALA B 400
ASP B 190
ASP B 196
 None
 1.13A 2nyuB-5cyrB:
undetectable		 2nyuB-5cyrB:
15.15
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.
5dt5 BETA-GLUCOSIDASE

(Exiguobacterium
antarcticum) 		PF00232
(Glyco_hydro_1) 		4 ALA A 353
ASP A 400
ASP A 418
ASP A 366
 None
 1.18A 2nyuB-5dt5A:
undetectable		 2nyuB-5dt5A:
18.91
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.
5idi 1,4-BETA-D-GLUCAN
GLUCOHYDROLASE

(Thermotoga
neapolitana) 		PF00232
(Glyco_hydro_1) 		4 ALA A 352
ASP A 400
ASP A 418
ASP A 366
 None
 1.20A 2nyuB-5idiA:
undetectable		 2nyuB-5idiA:
17.05
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.
5lkd GLUTATHIONE
S-TRANSFERASE
OMEGA-LIKE 2

(Saccharomyces
cerevisiae) 		PF13409
(GST_N_2)
PF13410
(GST_C_2) 		4 ALA A 108
ASP A 129
ASP A 122
ASP A 340
 None
 1.11A 2nyuB-5lkdA:
undetectable		 2nyuB-5lkdA:
18.45
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.
5lpe KALLIKREIN-10

(Homo sapiens) 		PF00089
(Trypsin) 		4 PRO A 198
ALA A 139
ASP A  99
ASP A 194
 None
None
ZN  A 304 (-2.5A)
None
 0.93A 2nyuB-5lpeA:
undetectable		 2nyuB-5lpeA:
20.88
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.
5nci LEUCINE HYDROXYLASE

(Streptomyces
muensis) 		PF05721
(PhyH) 		4 PRO A 123
ALA A 124
ASP A 250
ASP A 230
 None
 1.14A 2nyuB-5nciA:
undetectable		 2nyuB-5nciA:
20.15
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.
5ojy TETR FAMILY
TRANSCRIPTION
REGULATOR

(Streptomyces
alboniger) 		no annotation 4 PRO A  91
ALA A 141
ASP A 110
ASP A 103
 None
 1.03A 2nyuB-5ojyA:
undetectable		 2nyuB-5ojyA:
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.
5ufh LACI-TYPE
TRANSCRIPTIONAL
REGULATOR

(Bifidobacterium
animalis) 		PF13377
(Peripla_BP_3) 		4 PRO A 161
ALA A 165
ASP A 148
ASP A 127
 NO3  A 402 (-4.4A)
None
None
NO3  A 410 (-3.6A)
 1.03A 2nyuB-5ufhA:
2.1		 2nyuB-5ufhA:
21.19
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.
5vaz DNA PRIMASE

(Pseudomonas
aeruginosa) 		PF08275
(Toprim_N)
PF10410
(DnaB_bind)
PF13662
(Toprim_4) 		4 PRO A 164
ALA A 131
ASP A 205
ASP A 228
 None
 1.14A 2nyuB-5vazA:
undetectable		 2nyuB-5vazA:
21.77
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.
5vym BETA-GALACTOSIDASE
BGAB

(Bifidobacterium
adolescentis) 		PF08532
(Glyco_hydro_42M) 		4 PRO A  50
ALA A  52
ASP A   3
ASP A  54
 None
 1.10A 2nyuB-5vymA:
undetectable		 2nyuB-5vymA:
23.73
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.
5wka BETA-GLUCOSIDASE

(metagenome) 		no annotation 4 ALA A 372
ASP A 420
ASP A 438
ASP A 386
 None
 1.00A 2nyuB-5wkaA:
undetectable		 2nyuB-5wkaA:
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.
5wwt PUTATIVE
METHYLTRANSFERASE
NSUN6

(Homo sapiens) 		PF01189
(Methyltr_RsmB-F) 		4 PRO A 245
ASP A 266
ASP A 293
ASP A 323
 C  C  72 ( 4.7A)
None
None
C  C  72 ( 2.8A)
 0.47A 2nyuB-5wwtA:
10.8		 2nyuB-5wwtA:
19.22
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.
5wxv ISOCHORISMATE LYASE

(Vibrio
anguillarum) 		no annotation 4 PRO A  56
ALA A  53
ASP A 104
ASP A  49
 None
 0.91A 2nyuB-5wxvA:
4.7		 2nyuB-5wxvA:
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.
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo sapiens) 		PF00557
(Peptidase_M24)
PF05195
(AMP_N) 		4 PRO A 103
ALA A 212
ASP A 131
ASP A 157
 None
 1.17A 2nyuB-5x49A:
undetectable		 2nyuB-5x49A:
16.85
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.
5xb7 BETA-GALACTOSIDASE

(Bifidobacterium
animalis) 		no annotation 4 PRO A 261
ALA A 262
ASP A 297
ASP A 249
 None
 1.11A 2nyuB-5xb7A:
undetectable		 2nyuB-5xb7A:
13.86
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.
5xgz BETA-GLYCOSIDASE

(uncultured
microorganism) 		no annotation 4 ALA A 359
ASP A 407
ASP A 425
ASP A 373
 None
 1.09A 2nyuB-5xgzA:
undetectable		 2nyuB-5xgzA:
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.
5xoh BERGAPTOL
O-METHYLTRANSFERASE

(Peucedanum
praeruptorum) 		no annotation 4 ALA A 208
ASP A 226
ASP A 246
ASP A 201
 None
SAH  A 401 (-2.9A)
SAH  A 401 (-3.7A)
SAH  A 401 ( 4.5A)
 1.18A 2nyuB-5xohA:
10.1		 2nyuB-5xohA:
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.
5z9s GLYCOSYL HYDROLASE
FAMILY 3 PROTEIN

(Bifidobacterium
longum) 		no annotation 4 PRO A 764
ALA A 788
ASP A 714
ASP A 723
 None
 1.16A 2nyuB-5z9sA:
undetectable		 2nyuB-5z9sA:
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.
6etz BETA-GALACTOSIDASE

(Arthrobacter
sp. 32cB) 		no annotation 4 PRO A 780
ALA A 782
ASP A 777
ASP A 787
 None
 0.80A 2nyuB-6etzA:
undetectable		 2nyuB-6etzA:
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.
6f1d COMPLEMENT C1R
SUBCOMPONENT

(Homo sapiens) 		no annotation 4 PRO A 199
ASP A 236
ASP A 227
ASP A 277
 None
CA  A 300 (-2.2A)
None
None
 1.19A 2nyuB-6f1dA:
undetectable		 2nyuB-6f1dA:
undetectable