SIMILAR PATTERNS OF AMINO ACIDS FOR 4R20_A_AERA602_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.
1a2o CHEB METHYLESTERASE

(Salmonella
enterica) 		PF00072
(Response_reg)
PF01339
(CheB_methylest) 		4 ALA A 228
GLY A 162
VAL A 267
SER A 266
 None
 0.74A 4r20A-1a2oA:
0.0		 4r20A-1a2oA:
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.
1b0k PROTEIN (ACONITASE)

(Sus scrofa) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		4 ALA A  79
ILE A 146
GLY A 163
VAL A  93
 None
 0.62A 4r20A-1b0kA:
0.0		 4r20A-1b0kA:
20.82
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.
1b9h PROTEIN
(3-AMINO-5-HYDROXYBE
NZOIC ACID SYNTHASE)

(Amycolatopsis
mediterranei) 		PF01041
(DegT_DnrJ_EryC1) 		4 ALA A  95
ILE A 345
THR A  87
VAL A 133
 None
None
PLP  A 389 (-4.6A)
None
 0.80A 4r20A-1b9hA:
0.0		 4r20A-1b9hA:
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.
1c30 CARBAMOYL PHOSPHATE
SYNTHETASE: LARGE
SUBUNIT

(Escherichia
coli) 		PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3) 		4 ALA A1053
ILE A1014
GLY A1046
SER A 935
 None
 0.80A 4r20A-1c30A:
0.0		 4r20A-1c30A:
17.92
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.
1cfb DROSOPHILA
NEUROGLIAN

(Drosophila
melanogaster) 		PF00041
(fn3) 		4 ALA A 803
ASN A 766
ILE A 767
VAL A 712
 None
 0.81A 4r20A-1cfbA:
undetectable		 4r20A-1cfbA:
16.84
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.
1chd CHEB METHYLESTERASE

(Salmonella
enterica) 		PF01339
(CheB_methylest) 		4 ALA A 228
GLY A 162
VAL A 267
SER A 266
 None
 0.73A 4r20A-1chdA:
undetectable		 4r20A-1chdA:
18.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1evq SERINE HYDROLASE

(Alicyclobacillus
acidocaldarius) 		PF07859
(Abhydrolase_3) 		4 ALA A 244
GLY A 158
THR A 186
VAL A 233
 None
 0.81A 4r20A-1evqA:
0.0		 4r20A-1evqA:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fno PEPTIDASE T

(Salmonella
enterica) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 ALA A 393
ILE A 129
GLY A 375
SER A  77
 None
 0.84A 4r20A-1fnoA:
undetectable		 4r20A-1fnoA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fse GERE

(Bacillus
subtilis) 		PF00196
(GerE) 		4 ALA A  50
ILE A  38
GLU A  16
VAL A  24
 None
 0.78A 4r20A-1fseA:
undetectable		 4r20A-1fseA:
10.30
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.
1hkw DIAMINOPIMELATE
DECARBOXYLASE

(Mycobacterium
tuberculosis) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		4 ALA A  71
GLU A  97
GLY A  96
VAL A 131
 None
 0.81A 4r20A-1hkwA:
undetectable		 4r20A-1hkwA:
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.
1jfl ASPARTATE RACEMASE

(Pyrococcus
horikoshii) 		PF01177
(Asp_Glu_race) 		4 ALA A 179
ASN A  83
GLY A 193
VAL A 163
 None
 0.85A 4r20A-1jflA:
undetectable		 4r20A-1jflA:
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.
1llu ALCOHOL
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 ALA A 190
ILE A 230
THR A 243
VAL A 266
 None
None
NAD  A1250 (-4.8A)
NAD  A1250 (-3.6A)
 0.64A 4r20A-1lluA:
undetectable		 4r20A-1lluA:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mb9 BETA-LACTAM
SYNTHETASE

(Streptomyces
clavuligerus) 		PF00733
(Asn_synthase)
PF13537
(GATase_7) 		4 ALA A 261
ILE A 252
GLY A 347
VAL A 271
 None
None
ATP  A 701 ( 2.9A)
None
 0.73A 4r20A-1mb9A:
undetectable		 4r20A-1mb9A:
23.74
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.
1mro METHYL-COENZYME M
REDUCTASE

(Methanothermobacter
marburgensis) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		4 ALA A 420
GLU A 469
GLY A 284
VAL A 303
 None
 0.86A 4r20A-1mroA:
undetectable		 4r20A-1mroA:
20.40
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.
1n5x XANTHINE
DEHYDROGENASE

(Bos taurus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		4 ALA A1198
ASN A 887
THR A1154
SER A1080
 None
None
None
MTE  A3003 (-3.9A)
 0.76A 4r20A-1n5xA:
0.0		 4r20A-1n5xA:
16.58
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.
1on9 METHYLMALONYL-COA
CARBOXYLTRANSFERASE
12S SUBUNIT

(Propionibacterium
freudenreichii) 		PF01039
(Carboxyl_trans) 		4 ILE A 331
THR A 315
VAL A 338
SER A 337
 None
 0.75A 4r20A-1on9A:
undetectable		 4r20A-1on9A:
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.
1q5a EP-CADHERIN

(Mus musculus) 		PF00028
(Cadherin) 		4 ASN A 434
GLY A 437
VAL A 473
SER A 474
 CA  A 914 (-2.5A)
CA  A 914 ( 4.0A)
None
None
 0.81A 4r20A-1q5aA:
undetectable		 4r20A-1q5aA:
18.88
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.
1su7 CARBON MONOXIDE
DEHYDROGENASE 2

(Carboxydothermus
hydrogenoformans) 		PF03063
(Prismane) 		4 ALA A 564
ILE A 460
VAL A 313
SER A 312
 None
None
None
NFS  A 639 (-3.3A)
 0.80A 4r20A-1su7A:
0.5		 4r20A-1su7A:
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.
1u02 TREHALOSE-6-PHOSPHAT
E PHOSPHATASE
RELATED PROTEIN

(Thermoplasma
acidophilum) 		PF02358
(Trehalose_PPase) 		4 ALA A 164
ILE A  52
GLY A  46
SER A  82
 None
 0.86A 4r20A-1u02A:
undetectable		 4r20A-1u02A:
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.
1w5e FTSZ

(Methanocaldococcus
jannaschii) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		4 ALA A  64
ASN A 217
GLY A 221
VAL A 155
 None
 0.85A 4r20A-1w5eA:
undetectable		 4r20A-1w5eA:
22.56
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.
1wlg FLAGELLAR HOOK
PROTEIN FLGE

(Salmonella
enterica) 		PF07559
(FlaE) 		4 ALA A 342
ILE A  76
THR A 116
VAL A  85
 None
 0.73A 4r20A-1wlgA:
undetectable		 4r20A-1wlgA:
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.
1wvi PUTATIVE
PHOSPHATASES
INVOLVED IN
N-ACETYL-GLUCOSAMINE
CATABOLISM

(Streptococcus
mutans) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		4 ALA A1132
ASN A1146
ILE A1178
GLY A1119
 None
 0.75A 4r20A-1wviA:
undetectable		 4r20A-1wviA:
17.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y1u SIGNAL TRANSDUCER
AND ACTIVATOR OF
TRANSCRIPTION 5A

(Mus musculus) 		PF00017
(SH2)
PF01017
(STAT_alpha)
PF02864
(STAT_bind) 		4 ALA A 630
ASN A 529
GLY A 596
SER A 622
 None
 0.84A 4r20A-1y1uA:
undetectable		 4r20A-1y1uA:
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.
1yy5 FMS1 PROTEIN

(Saccharomyces
cerevisiae) 		PF01593
(Amino_oxidase) 		4 ILE A  18
GLY A  46
VAL A 257
SER A 256
 FAD  A 803 (-4.7A)
FAD  A 803 (-3.2A)
None
None
 0.71A 4r20A-1yy5A:
undetectable		 4r20A-1yy5A:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA
NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA

(Escherichia
coli) 		PF01262
(AlaDh_PNT_C)
PF02233
(PNTB)
PF05222
(AlaDh_PNT_N) 		4 ALA C 114
ILE A1157
GLY C  67
VAL C  50
 NAP  C1001 (-4.3A)
None
None
None
 0.85A 4r20A-2bruC:
undetectable		 4r20A-2bruC:
17.17
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.
2c81 GLUTAMINE-2-DEOXY-SC
YLLO-INOSOSE
AMINOTRANSFERASE

(Bacillus
circulans) 		PF01041
(DegT_DnrJ_EryC1) 		4 ALA A 185
ASN A 150
ILE A 149
GLY A 181
 None
 0.77A 4r20A-2c81A:
undetectable		 4r20A-2c81A:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dd7 GREEN FLUORESCENT
PROTEIN

(Chiridius
poppei) 		PF01353
(GFP) 		4 ALA A  44
ILE A 115
GLU A  17
GLY A  16
 None
 0.84A 4r20A-2dd7A:
undetectable		 4r20A-2dd7A:
18.46
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.
2gqd 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Staphylococcus
aureus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 ALA A  79
ILE A 140
GLY A 111
SER A 171
 None
 0.85A 4r20A-2gqdA:
undetectable		 4r20A-2gqdA:
21.72
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.
2hxd DCTP DEAMINASE,
DUMP-FORMING

(Methanocaldococcus
jannaschii) 		PF00692
(dUTPase) 		4 ILE A  65
GLY A  98
THR A 100
VAL A  34
 None
 0.75A 4r20A-2hxdA:
undetectable		 4r20A-2hxdA:
15.85
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.
2i2w PHOSPHOHEPTOSE
ISOMERASE

(Escherichia
coli) 		PF13580
(SIS_2) 		4 ASN A 126
ILE A 100
GLY A  51
VAL A  47
 None
 0.83A 4r20A-2i2wA:
undetectable		 4r20A-2i2wA:
17.26
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.
2ibu ACETYL-COA
ACETYLTRANSFERASE

(Homo sapiens) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		4 ALA A 136
GLY A  92
THR A 104
VAL A 108
 None
 0.85A 4r20A-2ibuA:
undetectable		 4r20A-2ibuA:
22.46
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.
2id5 LEUCINE RICH REPEAT
NEURONAL 6A

(Homo sapiens) 		PF07679
(I-set)
PF13306
(LRR_5)
PF13855
(LRR_8) 		4 ASN A  42
ILE A  44
GLU A  62
GLY A  40
 None
 0.80A 4r20A-2id5A:
undetectable		 4r20A-2id5A:
22.30
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.
2iny HEXON PROTEIN

(Fowl
aviadenovirus A) 		PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C) 		4 ASN A 288
ILE A 290
GLY A 567
THR A 468
 None
 0.80A 4r20A-2inyA:
undetectable		 4r20A-2inyA:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ioj HYPOTHETICAL PROTEIN
AF_1212

(Archaeoglobus
fulgidus) 		PF07085
(DRTGG) 		4 ALA A 243
GLY A 258
THR A 307
VAL A 311
 None
 0.82A 4r20A-2iojA:
undetectable		 4r20A-2iojA:
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.
2oga TRANSAMINASE

(Streptomyces
venezuelae) 		PF01041
(DegT_DnrJ_EryC1) 		4 GLU A  46
GLY A  47
VAL A  33
SER A  36
 None
 0.84A 4r20A-2ogaA:
undetectable		 4r20A-2ogaA:
23.02
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.
2qgy ENOLASE FROM THE
ENVIRONMENTAL GENOME
SHOTGUN SEQUENCING
OF THE SARGASSO SEA

(-) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ASN A 353
ILE A 352
GLY A 359
SER A 304
 None
 0.84A 4r20A-2qgyA:
undetectable		 4r20A-2qgyA:
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.
2rcb GLUTAMATE [NMDA]
RECEPTOR SUBUNIT 3B

(Rattus
norvegicus) 		PF10613
(Lig_chan-Glu_bd) 		4 ILE A 157
GLY A 144
THR A 141
SER A 123
 None
None
None
DSN  A 901 (-2.7A)
 0.83A 4r20A-2rcbA:
undetectable		 4r20A-2rcbA:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wek ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 ALA A 160
ASN A 361
GLY A 183
VAL A 329
 None
NAP  A1372 (-3.0A)
NAP  A1372 (-3.5A)
None
 0.76A 4r20A-2wekA:
undetectable		 4r20A-2wekA:
21.62
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.
2z5x AMINE OXIDASE
[FLAVIN-CONTAINING]
A

(Homo sapiens) 		PF01593
(Amino_oxidase) 		4 ALA A 331
GLY A 103
THR A 105
VAL A  98
 None
 0.78A 4r20A-2z5xA:
undetectable		 4r20A-2z5xA:
23.34
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.
3a69 FLAGELLAR HOOK
PROTEIN FLGE

(Salmonella
enterica) 		PF00460
(Flg_bb_rod)
PF06429
(Flg_bbr_C)
PF07559
(FlaE) 		4 ALA A 342
ILE A  76
THR A 116
VAL A  85
 None
 0.73A 4r20A-3a69A:
undetectable		 4r20A-3a69A:
21.72
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.
3abz BETA-GLUCOSIDASE I

(Kluyveromyces
marxianus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF07691
(PA14)
PF14310
(Fn3-like) 		4 ALA A 346
ILE A 558
THR A 603
VAL A 607
 None
 0.86A 4r20A-3abzA:
undetectable		 4r20A-3abzA:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b9y AMMONIUM TRANSPORTER
FAMILY RH-LIKE
PROTEIN

(Nitrosomonas
europaea) 		PF00909
(Ammonium_transp) 		4 ALA A 273
GLY A 241
THR A 246
VAL A 298
 None
 0.85A 4r20A-3b9yA:
0.0		 4r20A-3b9yA:
21.80
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.
3cdx SUCCINYLGLUTAMATEDES
UCCINYLASE/ASPARTOAC
YLASE

(Rhodobacter
sphaeroides) 		PF04952
(AstE_AspA) 		4 ALA A 130
GLY A 123
VAL A 108
SER A 106
 None
 0.78A 4r20A-3cdxA:
undetectable		 4r20A-3cdxA:
23.66
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.
3e60 3-OXOACYL-[ACYL-CARR
IER-PROTEIN ]
SYNTHASE II

(Bartonella
henselae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 ALA A 310
ILE A 380
GLU A 321
THR A 315
 None
 0.84A 4r20A-3e60A:
undetectable		 4r20A-3e60A:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3edy TRIPEPTIDYL-PEPTIDAS
E 1

(Homo sapiens) 		PF09286
(Pro-kuma_activ) 		4 ALA A 454
ILE A 488
GLY A 483
THR A 322
 None
 0.85A 4r20A-3edyA:
undetectable		 4r20A-3edyA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fcp L-ALA-D/L-GLU
EPIMERASE, A
MUCONATE LACTONIZING
ENZYME

(Klebsiella
pneumoniae) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ILE A  46
GLY A 357
VAL A 339
SER A 340
 None
 0.84A 4r20A-3fcpA:
undetectable		 4r20A-3fcpA:
24.01
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.
3ghy KETOPANTOATE
REDUCTASE PROTEIN

(Ralstonia
solanacearum) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		4 ALA A 123
ILE A 249
GLU A 296
GLY A 298
 None
 0.82A 4r20A-3ghyA:
undetectable		 4r20A-3ghyA:
22.27
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.
3hea ARYLESTERASE

(Pseudomonas
fluorescens) 		PF00561
(Abhydrolase_1) 		4 ASN A 262
GLU A  36
VAL A 171
SER A 172
 None
 0.84A 4r20A-3heaA:
undetectable		 4r20A-3heaA:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 9

(Thermus
thermophilus) 		PF12838
(Fer4_7) 		4 ILE 9  68
GLU 9 105
THR 9  44
VAL 9 138
 SF4  9 183 (-4.8A)
None
None
None
 0.84A 4r20A-3i9v9:
undetectable		 4r20A-3i9v9:
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.
3l7v PUTATIVE
UNCHARACTERIZED
PROTEIN SMU.1377C

(Streptococcus
mutans) 		PF01300
(Sua5_yciO_yrdC) 		4 ALA A 134
ASN A 162
ILE A 169
GLY A  33
 None
 0.80A 4r20A-3l7vA:
undetectable		 4r20A-3l7vA:
19.46
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.
3lpn RIBOSE-PHOSPHATE
PYROPHOSPHOKINASE

(Thermoplasma
volcanium) 		PF00156
(Pribosyltran)
PF13793
(Pribosyltran_N) 		4 ILE A 258
GLY A 241
THR A 263
VAL A 273
 None
 0.76A 4r20A-3lpnA:
undetectable		 4r20A-3lpnA:
19.11
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.
3mtw L-ARGININE
CARBOXYPEPTIDASE
CC2672

(Caulobacter
vibrioides) 		PF01979
(Amidohydro_1) 		4 ALA A 126
ASN A 133
ILE A 158
THR A 343
 None
 0.74A 4r20A-3mtwA:
undetectable		 4r20A-3mtwA:
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.
3n2x UNCHARACTERIZED
PROTEIN YAGE

(Escherichia
coli) 		PF00701
(DHDPS) 		4 ILE A 115
GLY A  88
VAL A 138
SER A 137
 EDO  A   1 (-3.6A)
EDO  A   1 (-3.4A)
None
None
 0.83A 4r20A-3n2xA:
undetectable		 4r20A-3n2xA:
18.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nwj ATSK2

(Arabidopsis
thaliana) 		PF01202
(SKI) 		4 ALA A 250
GLY A 105
THR A 176
VAL A 174
 None
 0.85A 4r20A-3nwjA:
undetectable		 4r20A-3nwjA:
21.85
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.
3nwz BH2602 PROTEIN

(Bacillus
halodurans) 		PF03061
(4HBT) 		4 ALA A  45
THR A  92
VAL A  66
SER A  56
 None
 0.76A 4r20A-3nwzA:
undetectable		 4r20A-3nwzA:
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.
3ot4 PUTATIVE
ISOCHORISMATASE

(Bordetella
bronchiseptica) 		PF00857
(Isochorismatase) 		4 ALA A 153
THR A 126
VAL A 115
SER A  69
 CSO  A 150 ( 3.7A)
None
None
None
 0.77A 4r20A-3ot4A:
undetectable		 4r20A-3ot4A:
20.57
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.
3otr ENOLASE

(Toxoplasma
gondii) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		4 ASN A 168
GLU A 257
GLY A 163
SER A 385
 None
 0.85A 4r20A-3otrA:
undetectable		 4r20A-3otrA:
22.29
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.
3s6m PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Burkholderia
pseudomallei) 		PF00160
(Pro_isomerase) 		4 ALA A  86
ILE A 157
GLY A  54
THR A  64
 EDO  A 164 ( 3.9A)
None
None
None
 0.86A 4r20A-3s6mA:
undetectable		 4r20A-3s6mA:
16.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sr6 XANTHINE
DEHYDROGENASE/OXIDAS
E

(Bos taurus) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		4 ALA C1198
ASN C 887
THR C1154
SER C1080
 None
None
None
MTE  C1316 (-4.3A)
 0.74A 4r20A-3sr6C:
undetectable		 4r20A-3sr6C:
20.11
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.
3upy OXIDOREDUCTASE

(Brucella
abortus) 		PF03447
(NAD_binding_3) 		4 GLU A 123
GLY A 121
THR A 115
SER A  54
 None
 0.84A 4r20A-3upyA:
undetectable		 4r20A-3upyA:
22.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zdp NUCLEOCAPSID PROTEIN

(Influenza A
virus) 		PF00506
(Flu_NP) 		4 ALA A 286
ASN A  59
ILE A  63
GLY A  54
 None
 0.85A 4r20A-3zdpA:
undetectable		 4r20A-3zdpA:
21.11
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.
4bnq NON-CANONICAL PURINE
NTP PYROPHOSPHATASE

(Staphylococcus
aureus) 		PF01725
(Ham1p_like) 		4 ALA A   7
GLY A 123
THR A 128
VAL A 130
 None
 0.83A 4r20A-4bnqA:
undetectable		 4r20A-4bnqA:
17.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4buj ANTIVIRAL PROTEIN
SKI8

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		4 ILE C 271
GLU C 266
GLY C 268
SER C 195
 None
 0.86A 4r20A-4bujC:
undetectable		 4r20A-4bujC:
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.
4bzx BIFUNCTIONAL ENZYME
CYSN/CYSC

(Mycobacterium
tuberculosis) 		PF01583
(APS_kinase) 		4 ALA A 460
ASN A 500
GLY A 479
SER A 454
 None
ADX  A1613 (-3.5A)
ADX  A1613 ( 3.7A)
ANP  A1614 (-3.4A)
 0.81A 4r20A-4bzxA:
1.3		 4r20A-4bzxA:
16.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cvc ALCOHOL
DEHYDROGENASE

(Pseudogluconobacter
saccharoketogenes) 		PF13360
(PQQ_2) 		4 ASN A  72
ILE A  68
GLY A  77
VAL A 570
 None
 0.84A 4r20A-4cvcA:
undetectable		 4r20A-4cvcA:
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.
4e4g METHYLMALONATE-SEMIA
LDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00171
(Aldedh) 		4 ASN A 429
GLU A 406
VAL A 284
SER A 283
 None
 0.79A 4r20A-4e4gA:
undetectable		 4r20A-4e4gA:
21.09
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.
4ecg PUTATIVE
IRON-REGULATED
PROTEIN A

(Parabacteroides
distasonis) 		PF09375
(Peptidase_M75) 		5 ALA A 271
ASN A 256
GLU A 267
GLY A 263
THR A 391
 None
 0.99A 4r20A-4ecgA:
undetectable		 4r20A-4ecgA:
22.16
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.
4hzu ENERGY-COUPLING
FACTOR TRANSPORTER
ATP-BINDING PROTEIN
ECFA 1
ENERGY-COUPLING
FACTOR TRANSPORTER
ATP-BINDING PROTEIN
ECFA 2
ENERGY-COUPLING
FACTOR TRANSPORTER
TRANSMEMBRANE
PROTEIN ECFT
PREDICTED MEMBRANE
PROTEIN

(Lactobacillus
brevis) 		PF00005
(ABC_tran)
PF02361
(CbiQ)
PF07155
(ECF-ribofla_trS) 		4 ALA S  17
ASN B  96
ILE T 178
SER A 139
 None
 0.81A 4r20A-4hzuS:
0.3		 4r20A-4hzuS:
14.49
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.
4ijr D-ARABINOSE
DEHYDROGENASE
[NAD(P)+] HEAVY
CHAIN

(Saccharomyces
cerevisiae) 		PF00248
(Aldo_ket_red) 		4 ALA A  68
ILE A 321
THR A 238
VAL A 212
 None
NDP  A 401 ( 4.8A)
None
None
 0.82A 4r20A-4ijrA:
undetectable		 4r20A-4ijrA:
23.98
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.
4ls5 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 ALA A  77
ILE A 138
GLY A 109
SER A 169
 None
 0.77A 4r20A-4ls5A:
undetectable		 4r20A-4ls5A:
19.69
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.
4mbu SIMILAR TO
N-ACETYLTRANSFERASE

(Staphylococcus
aureus) 		PF13420
(Acetyltransf_4) 		4 ALA A  12
ASN A  -1
GLY A  59
SER A  89
 None
 0.83A 4r20A-4mbuA:
undetectable		 4r20A-4mbuA:
15.72
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.
4n4p ACYLNEURAMINATE
LYASE

(Mycoplasma
synoviae) 		PF00701
(DHDPS) 		4 ILE A 208
GLY A  49
THR A  16
VAL A  29
 None
CL  A 300 ( 4.1A)
None
None
 0.78A 4r20A-4n4pA:
undetectable		 4r20A-4n4pA:
17.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE

(Homo sapiens) 		PF00067
(p450) 		5 ALA A 113
ASN A 202
GLY A 301
THR A 306
VAL A 366
 HEM  A 600 ( 2.9A)
3QZ  A 601 (-3.5A)
3QZ  A 601 ( 3.0A)
HEM  A 600 ( 3.2A)
HEM  A 600 ( 3.4A)
 0.71A 4r20A-4nkyA:
49.9		 4r20A-4nkyA:
44.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE

(Homo sapiens) 		PF00067
(p450) 		4 ASN A 202
ILE A 205
GLY A 301
THR A 306
 3QZ  A 601 (-3.5A)
3QZ  A 601 ( 3.4A)
3QZ  A 601 ( 3.0A)
HEM  A 600 ( 3.2A)
 0.57A 4r20A-4nkyA:
49.9		 4r20A-4nkyA:
44.09
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.
4oe7 PROBABLE
2-KETO-3-DEOXY-GALAC
TONATE ALDOLASE YAGE

(Escherichia
coli) 		PF00701
(DHDPS) 		4 ILE A 115
GLY A  88
VAL A 138
SER A 137
 EDO  A 401 (-3.7A)
EDO  A 401 (-3.2A)
None
None
 0.86A 4r20A-4oe7A:
undetectable		 4r20A-4oe7A:
20.62
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.
4ov4 2-ISOPROPYLMALATE
SYNTHASE

(Leptospira
biflexa) 		PF00682
(HMGL-like) 		4 ILE A  72
GLY A  47
VAL A 101
SER A 144
 None
None
KIV  A 402 ( 4.6A)
KIV  A 402 ( 3.7A)
 0.71A 4r20A-4ov4A:
undetectable		 4r20A-4ov4A:
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.
4po6 NON-RECEPTOR
TYROSINE-PROTEIN
KINASE TYK2

(Homo sapiens) 		no annotation 4 ILE A 105
GLU A 264
GLY A 271
THR A 319
 None
 0.72A 4r20A-4po6A:
undetectable		 4r20A-4po6A:
21.88
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.
4qme AMINOPEPTIDASE N

(Neisseria
meningitidis) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		4 ILE A 865
GLU A 351
GLY A 354
THR A 466
 None
 0.49A 4r20A-4qmeA:
undetectable		 4r20A-4qmeA:
21.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r1z CYP17A1 PROTEIN

(Danio rerio) 		PF00067
(p450) 		5 ALA A 126
ILE A 218
GLY A 312
THR A 317
VAL A 377
 HEM  A 600 (-3.6A)
AER  A 601 ( 4.3A)
AER  A 601 ( 3.7A)
HEM  A 600 ( 3.3A)
HEM  A 600 (-4.6A)
 0.78A 4r20A-4r1zA:
50.0		 4r20A-4r1zA:
46.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r1z CYP17A1 PROTEIN

(Danio rerio) 		PF00067
(p450) 		4 ALA A 126
ILE A 218
THR A 317
SER A 378
 HEM  A 600 (-3.6A)
AER  A 601 ( 4.3A)
HEM  A 600 ( 3.3A)
HEM  A 600 ( 4.6A)
 0.70A 4r20A-4r1zA:
50.0		 4r20A-4r1zA:
46.99
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.
4u36 SEED LECTIN

(Vatairea
macrocarpa) 		PF00139
(Lectin_legB) 		4 ALA A 209
ILE A  18
GLY A 206
VAL A 163
 None
 0.85A 4r20A-4u36A:
undetectable		 4r20A-4u36A:
18.26
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.
4uir OLEATE HYDRATASE

(Elizabethkingia
meningoseptica) 		PF06100
(MCRA) 		4 ALA A 560
ILE A  72
GLY A 537
THR A 330
 None
FAD  A 701 (-4.8A)
FAD  A 701 (-3.5A)
None
 0.61A 4r20A-4uirA:
undetectable		 4r20A-4uirA:
21.11
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.
4urm DNA GYRASE SUBUNIT B

(Staphylococcus
aureus) 		PF02518
(HATPase_c) 		4 ALA A  28
ASN A  54
ILE A  51
GLY A 127
 None
XAM  A2000 (-3.7A)
XAM  A2000 ( 4.2A)
None
 0.79A 4r20A-4urmA:
undetectable		 4r20A-4urmA:
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.
5a2k IG LAMBDA-1 CHAIN V
REGION S43

(Mus musculus) 		PF07686
(V-set) 		4 ASN H1034
ILE H1048
GLY H  96
VAL H   2
 None
None
EDO  H3005 (-3.4A)
None
 0.71A 4r20A-5a2kH:
undetectable		 4r20A-5a2kH:
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.
5a4j FORMATE--TETRAHYDROF
OLATE LIGASE

(Tepidanaerobacter
acetatoxydans) 		PF01268
(FTHFS) 		4 ALA A  83
ILE A 430
THR A  61
VAL A 330
 None
 0.83A 4r20A-5a4jA:
undetectable		 4r20A-5a4jA:
20.64
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.
5az4 FLAGELLAR HOOK
SUBUNIT PROTEIN

(Campylobacter
jejuni) 		PF07196
(Flagellin_IN)
PF07559
(FlaE) 		4 ALA A 177
ILE A 660
GLY A 626
SER A 188
 None
 0.79A 4r20A-5az4A:
undetectable		 4r20A-5az4A:
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.
5b2o CRISPR-ASSOCIATED
ENDONUCLEASE CAS9

(Francisella
tularensis) 		no annotation 4 ALA A 907
ILE A 868
THR A1091
SER A 899
 None
None
EDO  A1727 ( 4.0A)
EDO  A1727 (-3.1A)
 0.78A 4r20A-5b2oA:
undetectable		 4r20A-5b2oA:
14.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cow PUTATIVE
UNCHARACTERIZED
PROTEIN

(Caenorhabditis
remanei) 		no annotation 4 ALA A 280
ILE A 361
GLY A 311
VAL A 372
 None
 0.70A 4r20A-5cowA:
undetectable		 4r20A-5cowA:
19.26
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.
5d95 AMINOTRANSFERASE
CLASS-III

(Sphaerobacter
thermophilus) 		PF00202
(Aminotran_3) 		4 ILE A  56
GLY A  77
THR A 423
SER A 372
 None
 0.86A 4r20A-5d95A:
undetectable		 4r20A-5d95A:
23.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hes MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 GLU A  53
GLY A 153
VAL A  30
SER A  29
 None
032  A 401 (-3.6A)
032  A 401 (-4.4A)
None
 0.82A 4r20A-5hesA:
undetectable		 4r20A-5hesA:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lnk MITOCHONDRIAL
COMPLEX I, ND5
SUBUNIT

(Ovis aries) 		PF00361
(Proton_antipo_M)
PF00662
(Proton_antipo_N)
PF06455
(NADH5_C) 		4 ALA L 236
ILE L 149
THR L 251
VAL L 254
 None
 0.79A 4r20A-5lnkL:
undetectable		 4r20A-5lnkL:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mmu MAJOR ALLERGEN MAL D
1

(Malus domestica) 		PF00407
(Bet_v_1) 		4 ILE A  38
GLU A 137
GLY A 141
SER A 117
 None
 0.84A 4r20A-5mmuA:
undetectable		 4r20A-5mmuA:
15.37
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.
5u9z PHOSPHOGLYCEROL
TRANSFERASE

(Streptococcus
pyogenes) 		no annotation 4 ALA A 758
GLY A 519
VAL A 783
SER A 782
 None
 0.62A 4r20A-5u9zA:
undetectable		 4r20A-5u9zA:
11.04
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.
5w21 KLOTHO

(Homo sapiens) 		no annotation 4 ASN A 873
ILE A 870
GLU A 897
THR A 811
 None
 0.82A 4r20A-5w21A:
undetectable		 4r20A-5w21A:
11.73
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.
5wab PUTATIVE
BETA-GLUCOSIDASE

(Bifidobacterium
adolescentis) 		no annotation 4 ALA A  68
ILE A 139
GLY A  45
THR A  43
 None
 0.76A 4r20A-5wabA:
undetectable		 4r20A-5wabA:
9.26
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.
5wm4 SALICYLATE-AMP
LIGASE

(Streptomyces
gandocaensis) 		no annotation 4 ALA A 416
ASN A 468
THR A 214
SER A 211
 ACT  A 603 (-3.5A)
None
None
None
 0.80A 4r20A-5wm4A:
undetectable		 4r20A-5wm4A:
9.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1

(Danio rerio) 		no annotation 6 ALA A 126
GLU A 309
GLY A 312
THR A 317
VAL A 377
SER A 378
 HEM  A 601 (-3.8A)
AER  A 602 (-3.9A)
AER  A 602 ( 3.7A)
HEM  A 601 ( 3.7A)
HEM  A 601 ( 4.4A)
AER  A 602 (-3.2A)
 0.51A 4r20A-6b82A:
47.5		 4r20A-6b82A:
9.98
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.
6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1

(Danio rerio) 		no annotation 6 ALA A 126
ILE A 218
GLU A 309
GLY A 312
THR A 317
SER A 378
 HEM  A 601 (-3.8A)
AER  A 602 (-3.9A)
AER  A 602 (-3.9A)
AER  A 602 ( 3.7A)
HEM  A 601 ( 3.7A)
AER  A 602 (-3.2A)
 0.69A 4r20A-6b82A:
47.5		 4r20A-6b82A:
9.98
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.
6btm ALTERNATIVE COMPLEX
III SUBUNIT B

(Flavobacterium
johnsoniae) 		no annotation 4 ALA B 292
GLY B 254
VAL B 349
SER B 247
 None
 0.84A 4r20A-6btmB:
undetectable		 4r20A-6btmB:
10.37