SIMILAR PATTERNS OF AMINO ACIDS FOR 3OHT_A_1N1A2000

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.
1d4e FLAVOCYTOCHROME C
FUMARATE REDUCTASE

(Shewanella
oneidensis) 		PF00890
(FAD_binding_2)
PF14537
(Cytochrom_c3_2) 		5 ASN A 392
ARG A 389
ILE A 385
ALA A 466
TYR A 467
 None
 1.17A 3ohtA-1d4eA:
0.0
3ohtB-1d4eA:
0.0		 3ohtA-1d4eA:
19.93
3ohtB-1d4eA:
19.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1db3 GDP-MANNOSE
4,6-DEHYDRATASE

(Escherichia
coli) 		PF16363
(GDP_Man_Dehyd) 		5 ASP A 105
ASN A  84
VAL A  82
ALA A 163
TYR A 162
 None
 1.23A 3ohtA-1db3A:
0.1
3ohtB-1db3A:
0.0		 3ohtA-1db3A:
21.30
3ohtB-1db3A:
21.30
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.
1efp PROTEIN (ELECTRON
TRANSFER
FLAVOPROTEIN)

(Paracoccus
denitrificans) 		PF01012
(ETF) 		5 ASP B  39
ARG B   9
VAL B  65
ILE B  11
ALA B 123
 AMP  A 400 (-3.0A)
None
None
None
AMP  A 400 (-3.5A)
 1.07A 3ohtA-1efpB:
undetectable
3ohtB-1efpB:
undetectable		 3ohtA-1efpB:
22.42
3ohtB-1efpB:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1emy MYOGLOBIN

(Elephas maximus) 		PF00042
(Globin) 		5 ASP A 141
ILE A 142
ILE A 101
ALA A 144
TYR A 146
 None
 1.14A 3ohtA-1emyA:
undetectable
3ohtB-1emyA:
undetectable		 3ohtA-1emyA:
17.53
3ohtB-1emyA:
17.53
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.
1f82 BOTULINUM NEUROTOXIN
TYPE B

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		5 ILE A  18
MET A  20
ARG A 149
ILE A  13
ALA A  35
 None
 1.10A 3ohtA-1f82A:
0.0
3ohtB-1f82A:
0.0		 3ohtA-1f82A:
22.39
3ohtB-1f82A:
22.39
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.
1ffv CUTM, FLAVOPROTEIN
OF CARBON MONOXIDE
DEHYDROGENASE

(Hydrogenophaga
pseudoflava) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		5 ILE C 112
MET C 167
VAL C  14
ILE C 170
ALA C 117
 None
None
None
None
FAD  C1922 (-3.2A)
 1.06A 3ohtA-1ffvC:
undetectable
3ohtB-1ffvC:
undetectable		 3ohtA-1ffvC:
20.72
3ohtB-1ffvC:
20.72
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.
1fps FARNESYL DIPHOSPHATE
SYNTHASE

(Gallus gallus) 		PF00348
(polyprenyl_synt) 		5 ILE A 343
ARG A 338
MET A 249
ILE A 245
ALA A 359
 None
 1.11A 3ohtA-1fpsA:
undetectable
3ohtB-1fpsA:
1.5		 3ohtA-1fpsA:
22.89
3ohtB-1fpsA:
22.89
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.
1k0g P-AMINOBENZOATE
SYNTHASE COMPONENT I

(Escherichia
coli) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		5 ILE A 268
MET A 403
ASN A 402
ILE A  48
ALA A 354
 None
 1.12A 3ohtA-1k0gA:
undetectable
3ohtB-1k0gA:
0.0		 3ohtA-1k0gA:
21.52
3ohtB-1k0gA:
21.52
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.
1m7j D-AMINOACYLASE

(Alcaligenes
faecalis) 		PF07969
(Amidohydro_3) 		5 ASP A 176
ARG A 208
ARG A 237
ILE A 168
ALA A 175
 None
 1.12A 3ohtA-1m7jA:
0.0
3ohtB-1m7jA:
0.0		 3ohtA-1m7jA:
23.76
3ohtB-1m7jA:
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.
1q8f PYRIMIDINE
NUCLEOSIDE HYDROLASE

(Escherichia
coli) 		PF01156
(IU_nuc_hydro) 		5 ASP A  30
ILE A  29
VAL A  63
ILE A  36
ILE A 244
 None
 1.22A 3ohtA-1q8fA:
0.0
3ohtB-1q8fA:
undetectable		 3ohtA-1q8fA:
21.79
3ohtB-1q8fA:
21.79
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.
1w9c CRM1 PROTEIN

(Homo sapiens) 		PF08767
(CRM1_C) 		5 ILE A 819
VAL A 763
ILE A 759
ILE A 822
ALA A 854
 None
 0.91A 3ohtA-1w9cA:
undetectable
3ohtB-1w9cA:
undetectable		 3ohtA-1w9cA:
22.86
3ohtB-1w9cA:
22.86
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.
1wls L-ASPARAGINASE

(Pyrococcus
horikoshii) 		PF00710
(Asparaginase) 		5 ILE A  79
VAL A 171
ILE A 184
ILE A 104
ALA A  90
 None
 1.09A 3ohtA-1wlsA:
undetectable
3ohtB-1wlsA:
undetectable		 3ohtA-1wlsA:
22.52
3ohtB-1wlsA:
22.52
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.
1x0m AMINOTRANSFERASE II
HOMOLOGUE

(Pyrococcus
horikoshii) 		PF00155
(Aminotran_1_2) 		5 VAL A 281
ILE A 117
ILE A 270
ALA A 309
TYR A 312
 None
 1.18A 3ohtA-1x0mA:
undetectable
3ohtB-1x0mA:
undetectable		 3ohtA-1x0mA:
20.55
3ohtB-1x0mA:
20.55
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.
1xhk PUTATIVE PROTEASE LA
HOMOLOG

(Methanocaldococcus
jannaschii) 		PF05362
(Lon_C) 		5 ASP A 565
ILE A 483
VAL A 636
ILE A 632
ILE A 559
 None
 1.11A 3ohtA-1xhkA:
undetectable
3ohtB-1xhkA:
undetectable		 3ohtA-1xhkA:
21.81
3ohtB-1xhkA:
21.81
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.
1xks NUCLEAR PORE COMPLEX
PROTEIN NUP133

(Homo sapiens) 		no annotation 5 ILE A 403
ILE A 334
ILE A 368
ALA A 356
TYR A 370
 None
 1.23A 3ohtA-1xksA:
1.9
3ohtB-1xksA:
1.7		 3ohtA-1xksA:
23.65
3ohtB-1xksA:
23.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xwv DER F II

(Dermatophagoides
farinae) 		PF02221
(E1_DerP2_DerF2) 		5 ILE A  52
VAL A 104
ILE A 127
ILE A  68
TYR A  90
 PE3  A1001 ( 4.3A)
None
None
None
PE3  A1001 (-4.4A)
 1.23A 3ohtA-1xwvA:
undetectable
3ohtB-1xwvA:
undetectable		 3ohtA-1xwvA:
15.58
3ohtB-1xwvA:
15.58
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.
1yiq QUINOHEMOPROTEIN
ALCOHOL
DEHYDROGENASE

(Pseudomonas
putida) 		PF01011
(PQQ)
PF13360
(PQQ_2)
PF13442
(Cytochrome_CBB3) 		5 MET A 307
VAL A 403
ILE A 405
ILE A 277
ALA A 241
 None
 0.95A 3ohtA-1yiqA:
undetectable
3ohtB-1yiqA:
undetectable		 3ohtA-1yiqA:
21.41
3ohtB-1yiqA:
21.41
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.
1zlr COAGULATION FACTOR
XI

(Homo sapiens) 		PF00089
(Trypsin) 		5 ASP A 116
ILE A  77
ILE A  44
ALA A 115
TYR A 114
 None
 1.12A 3ohtA-1zlrA:
undetectable
3ohtB-1zlrA:
undetectable		 3ohtA-1zlrA:
20.80
3ohtB-1zlrA:
20.80
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.
2a9c SULFITE OXIDASE

(Gallus gallus) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer) 		5 TRP A 372
VAL A 379
ARG A 377
ILE A 209
ALA A 125
 None
 1.15A 3ohtA-2a9cA:
undetectable
3ohtB-2a9cA:
undetectable		 3ohtA-2a9cA:
19.26
3ohtB-2a9cA:
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.
2byc BLUE-LIGHT RECEPTOR
OF THE BLUF-FAMILY

(Rhodobacter
sphaeroides) 		PF04940
(BLUF) 		5 ILE A  76
ARG A  65
ILE A  67
ALA A  78
TYR A   9
 None
None
FMN  A1137 ( 4.2A)
None
None
 1.14A 3ohtA-2bycA:
undetectable
3ohtB-2bycA:
undetectable		 3ohtA-2bycA:
19.17
3ohtB-2bycA:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c07 3-OXOACYL-(ACYL-CARR
IER PROTEIN)
REDUCTASE

(Plasmodium
falciparum) 		PF13561
(adh_short_C2) 		5 ILE A 197
VAL A  90
ILE A 107
ILE A  75
ALA A 148
 None
 1.20A 3ohtA-2c07A:
undetectable
3ohtB-2c07A:
undetectable		 3ohtA-2c07A:
24.44
3ohtB-2c07A:
24.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fn9 RIBOSE ABC
TRANSPORTER,
PERIPLASMIC
RIBOSE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF13407
(Peripla_BP_4) 		5 ASP A 173
ILE A 139
ASN A 198
ILE A 242
ALA A 170
 None
 1.19A 3ohtA-2fn9A:
undetectable
3ohtB-2fn9A:
undetectable		 3ohtA-2fn9A:
21.11
3ohtB-2fn9A:
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.
2gw1 MITOCHONDRIAL
PRECURSOR PROTEINS
IMPORT RECEPTOR

(Saccharomyces
cerevisiae) 		PF00515
(TPR_1)
PF13181
(TPR_8)
PF13432
(TPR_16) 		5 ASP A 449
ILE A 431
ILE A 474
ALA A 441
TYR A 442
 None
 1.15A 3ohtA-2gw1A:
undetectable
3ohtB-2gw1A:
undetectable		 3ohtA-2gw1A:
23.08
3ohtB-2gw1A:
23.08
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.
2nux 2-KETO-3-DEOXYGLUCON
ATE/2-KETO-3-DEOXY-6
-PHOSPHO GLUCONATE
ALDOLASE

(Sulfolobus
acidocaldarius) 		PF00701
(DHDPS) 		5 ILE A   4
ASN A 198
VAL A 246
ILE A  34
ALA A 194
 None
 1.23A 3ohtA-2nuxA:
undetectable
3ohtB-2nuxA:
undetectable		 3ohtA-2nuxA:
21.52
3ohtB-2nuxA:
21.52
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.
2o74 OHCU DECARBOXYLASE

(Danio rerio) 		PF09349
(OHCU_decarbox) 		5 ILE A  28
VAL A   6
ILE A   3
ILE A  48
ALA A  31
 None
 1.24A 3ohtA-2o74A:
undetectable
3ohtB-2o74A:
undetectable		 3ohtA-2o74A:
18.99
3ohtB-2o74A:
18.99
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.
2odp COMPLEMENT C2

(Homo sapiens) 		PF00089
(Trypsin)
PF00092
(VWA) 		5 ILE A 372
ASN A 234
VAL A 271
ILE A 264
ILE A 351
 None
 1.17A 3ohtA-2odpA:
undetectable
3ohtB-2odpA:
undetectable		 3ohtA-2odpA:
21.00
3ohtB-2odpA:
21.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oi6 BIFUNCTIONAL PROTEIN
GLMU

(Escherichia
coli) 		PF00132
(Hexapep)
PF12804
(NTP_transf_3) 		5 ASP A 179
VAL A 149
ILE A 142
ILE A 198
ALA A 175
 None
 1.17A 3ohtA-2oi6A:
undetectable
3ohtB-2oi6A:
undetectable		 3ohtA-2oi6A:
20.74
3ohtB-2oi6A:
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.
2p7u CYSTEINE PROTEASE

(Trypanosoma
brucei) 		PF00112
(Peptidase_C1) 		5 ASP A 114
ILE A 112
TRP A  74
ASN A  77
ILE A  75
 None
 1.03A 3ohtA-2p7uA:
undetectable
3ohtB-2p7uA:
undetectable		 3ohtA-2p7uA:
19.21
3ohtB-2p7uA:
19.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pef SERINE PROTEASE
INHIBITOR

(Caldanaerobacter
subterraneus) 		PF00079
(Serpin) 		5 ILE A 162
ASN A 212
VAL A 378
ILE A 198
ILE A 145
 None
 1.17A 3ohtA-2pefA:
undetectable
3ohtB-2pefA:
undetectable		 3ohtA-2pefA:
20.48
3ohtB-2pefA:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q2e TYPE 2 DNA
TOPOISOMERASE 6
SUBUNIT B

(Methanosarcina
mazei) 		PF02518
(HATPase_c)
PF09239
(Topo-VIb_trans) 		5 ASP B  47
ILE B 117
ILE B 211
ILE B 176
ALA B  49
 None
 1.19A 3ohtA-2q2eB:
undetectable
3ohtB-2q2eB:
undetectable		 3ohtA-2q2eB:
20.13
3ohtB-2q2eB:
20.13
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.
2quq CENTROMERE
DNA-BINDING PROTEIN
COMPLEX CBF3 SUBUNIT
B

(Saccharomyces
cerevisiae) 		PF16846
(Cep3) 		5 ILE A 548
TRP A  65
ASN A  67
ILE A 420
ILE A  72
 None
 1.04A 3ohtA-2quqA:
undetectable
3ohtB-2quqA:
undetectable		 3ohtA-2quqA:
21.71
3ohtB-2quqA:
21.71
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.
2rdc UNCHARACTERIZED
PROTEIN

(Geobacter
sulfurreducens) 		PF11554
(DUF3232) 		5 ILE A  30
ARG A  25
TRP A 138
MET A  23
ILE A 133
 None
CL  A 153 (-3.3A)
None
None
None
 1.17A 3ohtA-2rdcA:
1.9
3ohtB-2rdcA:
2.2		 3ohtA-2rdcA:
16.03
3ohtB-2rdcA:
16.03
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.
2vr2 DIHYDROPYRIMIDINASE

(Homo sapiens) 		PF01979
(Amidohydro_1) 		5 ASP A 280
MET A 250
ARG A 262
ILE A 258
ILE A 273
 None
 1.07A 3ohtA-2vr2A:
undetectable
3ohtB-2vr2A:
undetectable		 3ohtA-2vr2A:
22.52
3ohtB-2vr2A:
22.52
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.
2vri NON-STRUCTURAL
PROTEIN 3

(Human
coronavirus
NL63) 		PF01661
(Macro) 		5 ASP A  47
ASN A  30
VAL A  86
ILE A 106
ILE A  16
 None
 1.03A 3ohtA-2vriA:
undetectable
3ohtB-2vriA:
undetectable		 3ohtA-2vriA:
20.38
3ohtB-2vriA:
20.38
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.
2w5h SERINE/THREONINE-PRO
TEIN KINASE NEK2

(Homo sapiens) 		PF00069
(Pkinase) 		5 ASP A 198
ILE A 199
VAL A 155
ARG A 115
ILE A 265
 None
 1.17A 3ohtA-2w5hA:
19.4
3ohtB-2w5hA:
19.3		 3ohtA-2w5hA:
24.50
3ohtB-2w5hA:
24.50
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.
2x5n 26S PROTEASOME
REGULATORY SUBUNIT
RPN10

(Schizosaccharomyces
pombe) 		PF13519
(VWA_2) 		5 ASP A 158
ILE A 126
VAL A 114
ILE A  54
ALA A 160
 None
 1.20A 3ohtA-2x5nA:
1.4
3ohtB-2x5nA:
undetectable		 3ohtA-2x5nA:
18.86
3ohtB-2x5nA:
18.86
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.
3a3h ENDOGLUCANASE

(Salipaludibacillus
agaradhaerens) 		PF00150
(Cellulase) 		5 ASP A 117
ILE A 161
VAL A  82
ILE A 162
ALA A 115
 None
 1.22A 3ohtA-3a3hA:
undetectable
3ohtB-3a3hA:
undetectable		 3ohtA-3a3hA:
19.29
3ohtB-3a3hA:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aeq LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT B

(Rhodobacter
capsulatus) 		PF00148
(Oxidored_nitro) 		5 ILE B 293
MET B 310
VAL B 341
ILE B 345
ALA B 325
 None
 1.14A 3ohtA-3aeqB:
undetectable
3ohtB-3aeqB:
undetectable		 3ohtA-3aeqB:
23.54
3ohtB-3aeqB:
23.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aka PUTATIVE CALCIUM
BINDING PROTEIN

(Streptomyces
coelicolor) 		PF13499
(EF-hand_7)
PF13833
(EF-hand_8) 		5 ASP A  94
VAL A 168
ILE A  10
ILE A  67
ALA A  97
 None
 1.22A 3ohtA-3akaA:
undetectable
3ohtB-3akaA:
undetectable		 3ohtA-3akaA:
18.65
3ohtB-3akaA:
18.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b1f PUTATIVE PREPHENATE
DEHYDROGENASE

(Streptococcus
mutans) 		PF02153
(PDH) 		5 ILE A 104
ASN A 242
VAL A 246
ILE A 194
ILE A  73
 None
None
None
None
NAD  A1001 (-4.8A)
 1.17A 3ohtA-3b1fA:
undetectable
3ohtB-3b1fA:
undetectable		 3ohtA-3b1fA:
21.34
3ohtB-3b1fA:
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.
3bba INTERPAIN A

(Prevotella
intermedia) 		PF01640
(Peptidase_C10) 		5 ASP A 350
ILE A 265
VAL A 318
ILE A 278
TYR A 270
 None
 1.18A 3ohtA-3bbaA:
undetectable
3ohtB-3bbaA:
undetectable		 3ohtA-3bbaA:
19.74
3ohtB-3bbaA:
19.74
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.
3be7 ZN-DEPENDENT
ARGININE
CARBOXYPEPTIDASE

(unidentified) 		PF01979
(Amidohydro_1) 		5 ASP A 253
ARG A 297
ILE A 266
ILE A 230
ALA A 255
 None
 1.21A 3ohtA-3be7A:
undetectable
3ohtB-3be7A:
undetectable		 3ohtA-3be7A:
20.96
3ohtB-3be7A:
20.96
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.
3do8 PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE

(Archaeoglobus
fulgidus) 		PF01467
(CTP_transf_like) 		5 ASP A  38
VAL A  58
ILE A  20
ILE A  75
ALA A  41
 None
 1.05A 3ohtA-3do8A:
undetectable
3ohtB-3do8A:
undetectable		 3ohtA-3do8A:
13.78
3ohtB-3do8A:
13.78
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.
3f4b ENOYL-ACYL CARRIER
PROTEIN REDUCTASE

(Plasmodium
berghei) 		PF13561
(adh_short_C2) 		5 ASP A 131
ILE A 135
VAL A  88
ILE A  85
ILE A 136
 None
 1.15A 3ohtA-3f4bA:
undetectable
3ohtB-3f4bA:
undetectable		 3ohtA-3f4bA:
20.86
3ohtB-3f4bA:
20.86
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.
3gay FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Giardia
intestinalis) 		PF01116
(F_bP_aldolase) 		5 ILE A 245
VAL A  38
ILE A  34
ILE A 252
ALA A  13
 None
 1.24A 3ohtA-3gayA:
undetectable
3ohtB-3gayA:
undetectable		 3ohtA-3gayA:
21.27
3ohtB-3gayA:
21.27
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.
3gg4 GLYCEROL KINASE

(Yersinia
pseudotuberculosis) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 ILE A 353
MET A 412
ILE A 378
ILE A 333
TYR A 339
 None
 1.22A 3ohtA-3gg4A:
undetectable
3ohtB-3gg4A:
undetectable		 3ohtA-3gg4A:
23.01
3ohtB-3gg4A:
23.01
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.
3gla LOW MOLECULAR WEIGHT
HEAT SHOCK PROTEIN

(Xanthomonas
citri) 		PF00011
(HSP20) 		5 ASP A 116
ILE A 120
ARG A 132
ILE A 131
ALA A 115
 None
None
PO4  A   1 (-3.1A)
None
None
 1.21A 3ohtA-3glaA:
undetectable
3ohtB-3glaA:
undetectable		 3ohtA-3glaA:
14.60
3ohtB-3glaA:
14.60
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.
3gzy BIPHENYL DIOXYGENASE
SUBUNIT ALPHA

(Comamonas
testosteroni) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		5 ASP A  42
ILE A  39
MET A 397
ALA A  41
TYR A  40
 None
 1.10A 3ohtA-3gzyA:
undetectable
3ohtB-3gzyA:
undetectable		 3ohtA-3gzyA:
20.21
3ohtB-3gzyA:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3krv HYDROLASE

(Geobacillus
stearothermophilus) 		PF04199
(Cyclase) 		5 ASP A  91
ILE A 166
ILE A  97
ALA A 126
TYR A 129
 None
 1.05A 3ohtA-3krvA:
undetectable
3ohtB-3krvA:
undetectable		 3ohtA-3krvA:
21.17
3ohtB-3krvA:
21.17
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.
3kum DIPEPTIDE EPIMERASE

(Enterococcus
faecalis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ASP A 248
ILE A 261
ILE A 104
ILE A 263
ALA A 246
 None
 1.22A 3ohtA-3kumA:
undetectable
3ohtB-3kumA:
undetectable		 3ohtA-3kumA:
21.38
3ohtB-3kumA:
21.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3oz6 MITOGEN-ACTIVATED
PROTEIN KINASE 1,
SERINE/THREONINE
PROTEIN KINASE

(Cryptosporidium
parvum) 		PF00069
(Pkinase) 		5 ILE A 295
TRP A 288
ILE A 284
ILE A 230
ALA A 299
 None
 1.20A 3ohtA-3oz6A:
4.8
3ohtB-3oz6A:
8.3		 3ohtA-3oz6A:
33.18
3ohtB-3oz6A:
33.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ram HMRA PROTEIN

(Staphylococcus
aureus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 ASP A 381
ILE A 383
ILE A 364
ILE A 151
TYR A 379
 None
 1.08A 3ohtA-3ramA:
undetectable
3ohtB-3ramA:
0.4		 3ohtA-3ramA:
21.26
3ohtB-3ramA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rre PUTATIVE
UNCHARACTERIZED
PROTEIN

(Thermotoga
maritima) 		PF01256
(Carb_kinase)
PF03853
(YjeF_N) 		5 ILE A 485
MET A 436
VAL A 235
ILE A 237
ILE A 481
 None
 1.19A 3ohtA-3rreA:
undetectable
3ohtB-3rreA:
undetectable		 3ohtA-3rreA:
21.60
3ohtB-3rreA:
21.60
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.
3sze SERINE PROTEASE ESPP

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		5 ASP A 496
VAL A 550
ILE A 556
ILE A 520
ALA A 494
 None
 1.03A 3ohtA-3szeA:
undetectable
3ohtB-3szeA:
undetectable		 3ohtA-3szeA:
18.32
3ohtB-3szeA:
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.
3t4r PHOSPHOPROTEIN

(Lettuce
necrotic
yellows
cytorhabdovirus) 		no annotation 5 ASP A  37
VAL A  30
ILE A  22
ILE A  54
ALA A  40
 None
 1.19A 3ohtA-3t4rA:
undetectable
3ohtB-3t4rA:
undetectable		 3ohtA-3t4rA:
11.20
3ohtB-3t4rA:
11.20
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.
3t4w MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Sulfitobacter
sp. NAS-14.1) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A 307
ASN A 321
ILE A 350
ILE A 331
ALA A 293
 None
 1.22A 3ohtA-3t4wA:
undetectable
3ohtB-3t4wA:
undetectable		 3ohtA-3t4wA:
22.90
3ohtB-3t4wA:
22.90
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.
3tzq SHORT-CHAIN TYPE
DEHYDROGENASE/REDUCT
ASE

(Mycobacterium
marinum) 		no annotation 5 ILE B 140
VAL B  34
ARG B  53
ILE B  19
ALA B  89
 None
 1.15A 3ohtA-3tzqB:
undetectable
3ohtB-3tzqB:
undetectable		 3ohtA-3tzqB:
23.32
3ohtB-3tzqB:
23.32
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.
3uid PUTATIVE
UNCHARACTERIZED
PROTEIN

(Mycolicibacterium
smegmatis) 		PF08327
(AHSA1) 		5 ASP A  34
ILE A  31
ILE A  28
ALA A  33
TYR A  32
 None
 1.11A 3ohtA-3uidA:
undetectable
3ohtB-3uidA:
undetectable		 3ohtA-3uidA:
19.83
3ohtB-3uidA:
19.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b45 CELL DIVISION
PROTEIN FTSZ

(Haloferax
volcanii) 		PF00091
(Tubulin) 		5 ASP A 158
ARG A 189
ILE A 186
ILE A 222
ALA A 157
 None
 1.09A 3ohtA-4b45A:
undetectable
3ohtB-4b45A:
undetectable		 3ohtA-4b45A:
23.56
3ohtB-4b45A:
23.56
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.
4b45 CELL DIVISION
PROTEIN FTSZ

(Haloferax
volcanii) 		PF00091
(Tubulin) 		5 ASP A 158
VAL A 190
ILE A 186
ILE A 222
ALA A 157
 None
 1.23A 3ohtA-4b45A:
undetectable
3ohtB-4b45A:
undetectable		 3ohtA-4b45A:
23.56
3ohtB-4b45A:
23.56
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.
4cja BURRH

(Paraburkholderia
rhizoxinica) 		PF03377
(TAL_effector) 		5 VAL A 235
ARG A 243
ILE A 252
ILE A 217
ALA A 224
 None
 1.18A 3ohtA-4cjaA:
undetectable
3ohtB-4cjaA:
undetectable		 3ohtA-4cjaA:
19.37
3ohtB-4cjaA:
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.
4cp6 CHOLINE BINDING
PROTEIN PCPA

(Streptococcus
pneumoniae) 		PF13306
(LRR_5) 		5 ASP A 162
VAL A 101
ILE A 129
ILE A 169
ALA A 182
 None
 1.19A 3ohtA-4cp6A:
undetectable
3ohtB-4cp6A:
undetectable		 3ohtA-4cp6A:
21.29
3ohtB-4cp6A:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dlo BRAIN-SPECIFIC
ANGIOGENESIS
INHIBITOR 3

(Homo sapiens) 		PF01825
(GPS)
PF02793
(HRM)
PF16489
(GAIN) 		5 ILE A 636
VAL A 598
ILE A 622
ILE A 684
ALA A 633
 None
 1.24A 3ohtA-4dloA:
undetectable
3ohtB-4dloA:
undetectable		 3ohtA-4dloA:
20.22
3ohtB-4dloA:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dry 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Sinorhizobium
meliloti) 		PF00106
(adh_short) 		5 ILE A 151
ASN A 148
VAL A  93
ARG A 144
ALA A 196
 None
 1.24A 3ohtA-4dryA:
undetectable
3ohtB-4dryA:
undetectable		 3ohtA-4dryA:
22.84
3ohtB-4dryA:
22.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4flx DNA POLYMERASE 1

(Pyrococcus
abyssi) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 ASP A   6
ILE A  18
VAL A 344
ALA A 117
TYR A 120
 ASP  A   6 (-0.5A)
ILE  A  18 ( 0.5A)
VAL  A 344 ( 0.5A)
ALA  A 117 ( 0.0A)
TYR  A 120 ( 1.3A)
 1.25A 3ohtA-4flxA:
2.2
3ohtB-4flxA:
undetectable		 3ohtA-4flxA:
19.16
3ohtB-4flxA:
19.16
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.
4hl4 TBC1 DOMAIN FAMILY
MEMBER 20

(Homo sapiens) 		PF00566
(RabGAP-TBC) 		5 ILE A 195
VAL A 228
ILE A 251
ALA A 295
TYR A 252
 None
 1.12A 3ohtA-4hl4A:
undetectable
3ohtB-4hl4A:
undetectable		 3ohtA-4hl4A:
22.73
3ohtB-4hl4A:
22.73
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.
4hwg UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Rickettsia
bellii) 		PF02350
(Epimerase_2) 		5 ILE A 138
VAL A 362
ILE A 358
ILE A 135
ALA A 105
 None
 1.19A 3ohtA-4hwgA:
undetectable
3ohtB-4hwgA:
undetectable		 3ohtA-4hwgA:
23.78
3ohtB-4hwgA:
23.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4izg MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
N-TERMINAL DOMAIN
PROTEIN

(Paracoccus
denitrificans) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A 163
VAL A 235
ILE A 231
ILE A 165
ALA A 192
 None
 1.14A 3ohtA-4izgA:
undetectable
3ohtB-4izgA:
undetectable		 3ohtA-4izgA:
23.13
3ohtB-4izgA:
23.13
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.
4kcd GLUTAMATE RECEPTOR
IONOTROPIC, NMDA 3A

(Rattus
norvegicus) 		PF10613
(Lig_chan-Glu_bd) 		5 ASP A 224
VAL A 149
ILE A 159
ALA A 181
TYR A 184
 None
 1.03A 3ohtA-4kcdA:
undetectable
3ohtB-4kcdA:
undetectable		 3ohtA-4kcdA:
20.94
3ohtB-4kcdA:
20.94
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.
4kjd INTESTINAL-TYPE
ALKALINE PHOSPHATASE
1

(Rattus
norvegicus) 		PF00245
(Alk_phosphatase) 		5 ASP A 173
ILE A 186
ASN A 165
ARG A 117
ILE A 110
 None
 1.22A 3ohtA-4kjdA:
undetectable
3ohtB-4kjdA:
undetectable		 3ohtA-4kjdA:
20.70
3ohtB-4kjdA:
20.70
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.
4ljs PERIPLASMIC BINDING
PROTEIN

(Veillonella
parvula) 		PF01497
(Peripla_BP_2) 		5 ASP A  81
ILE A 106
ILE A 174
ILE A  71
ALA A 102
 None
 1.23A 3ohtA-4ljsA:
undetectable
3ohtB-4ljsA:
undetectable		 3ohtA-4ljsA:
22.64
3ohtB-4ljsA:
22.64
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.
4ljs PERIPLASMIC BINDING
PROTEIN

(Veillonella
parvula) 		PF01497
(Peripla_BP_2) 		5 ILE A 106
ILE A 174
ILE A  71
ALA A 102
TYR A 103
 None
 1.08A 3ohtA-4ljsA:
undetectable
3ohtB-4ljsA:
undetectable		 3ohtA-4ljsA:
22.64
3ohtB-4ljsA:
22.64
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.
4lmb CYSTEINE SYNTHASE

(Microcystis
aeruginosa) 		PF00291
(PALP) 		5 ILE A 278
MET A 293
ARG A 197
ILE A  32
ALA A 273
 None
 1.07A 3ohtA-4lmbA:
undetectable
3ohtB-4lmbA:
undetectable		 3ohtA-4lmbA:
23.23
3ohtB-4lmbA:
23.23
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.
4m1r CELLULASE 5

(soil metagenome) 		PF00150
(Cellulase) 		5 ARG A  57
ILE A  93
ILE A 150
ALA A 185
TYR A 184
 None
 1.20A 3ohtA-4m1rA:
undetectable
3ohtB-4m1rA:
undetectable		 3ohtA-4m1rA:
19.49
3ohtB-4m1rA:
19.49
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.
4mio INOSITOL
2-DEHYDROGENASE/D-CH
IRO-INOSITOL
3-DEHYDROGENASE

(Lactobacillus
casei) 		PF01408
(GFO_IDH_MocA) 		5 ILE A 170
VAL A 238
ILE A 133
ILE A 178
ALA A 214
 None
 1.10A 3ohtA-4mioA:
undetectable
3ohtB-4mioA:
undetectable		 3ohtA-4mioA:
22.49
3ohtB-4mioA:
22.49
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.
4toq CLASS III CHITINASE

(Punica granatum) 		PF00704
(Glyco_hydro_18) 		5 ASP A 167
ILE A  29
ILE A 126
ALA A 169
TYR A 134
 MG  A 303 ( 4.3A)
None
None
None
None
 1.24A 3ohtA-4toqA:
undetectable
3ohtB-4toqA:
undetectable		 3ohtA-4toqA:
21.81
3ohtB-4toqA:
21.81
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.
4tr6 DNA POLYMERASE III
SUBUNIT BETA

(Bacillus
subtilis) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		5 ASP A 121
ILE A  31
ILE A  87
ALA A 122
TYR A 125
 None
 1.18A 3ohtA-4tr6A:
undetectable
3ohtB-4tr6A:
undetectable		 3ohtA-4tr6A:
22.57
3ohtB-4tr6A:
22.57
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.
4udr GLUCOSE-METHANOL-CHO
LINE OXIDOREDUCTASE

(Methylovorus
sp. MP688) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 ILE A 527
VAL A 493
ILE A 280
ILE A 263
ALA A 487
 None
 1.22A 3ohtA-4udrA:
undetectable
3ohtB-4udrA:
undetectable		 3ohtA-4udrA:
22.26
3ohtB-4udrA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uv6 APICAL MEROZOITE
ANTIGEN 1

(Plasmodium
knowlesi) 		PF02430
(AMA-1) 		5 ILE A 138
MET A 194
VAL A 114
ILE A 320
ILE A 135
 None
 1.19A 3ohtA-4uv6A:
undetectable
3ohtB-4uv6A:
undetectable		 3ohtA-4uv6A:
23.11
3ohtB-4uv6A:
23.11
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.
4v3d HB3VAR03 CIDRA
DOMAIN

(Plasmodium
falciparum) 		PF03011
(PFEMP) 		5 ASP A 513
ILE A 584
TRP A 578
ASN A 510
ILE A 506
 None
 1.20A 3ohtA-4v3dA:
undetectable
3ohtB-4v3dA:
undetectable		 3ohtA-4v3dA:
18.20
3ohtB-4v3dA:
18.20
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.
4xat NOELIN

(Homo sapiens) 		PF02191
(OLF) 		5 VAL A 262
ARG A 275
ILE A 470
ALA A 460
TYR A 472
 None
None
None
GOL  A 503 ( 3.7A)
None
 1.10A 3ohtA-4xatA:
undetectable
3ohtB-4xatA:
undetectable		 3ohtA-4xatA:
20.98
3ohtB-4xatA:
20.98
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.
4yzz TRAP TRANSPORTER
SOLUTE BINDING
PROTEIN

(Bordetella
bronchiseptica) 		PF03480
(DctP) 		5 ILE A  49
VAL A  88
ILE A 147
ILE A 247
ALA A  53
 None
 1.12A 3ohtA-4yzzA:
undetectable
3ohtB-4yzzA:
undetectable		 3ohtA-4yzzA:
21.61
3ohtB-4yzzA:
21.61
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.
4z8n RETICULOCYTE-BINDING
PROTEIN 2A

(Plasmodium
vivax) 		no annotation 5 ILE A 290
ILE A 310
ILE A 191
ALA A 201
TYR A 205
 None
 1.13A 3ohtA-4z8nA:
0.6
3ohtB-4z8nA:
1.1		 3ohtA-4z8nA:
20.94
3ohtB-4z8nA:
20.94
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.
4zcf RESTRICTION
ENDONUCLEASE
ECOP15I, RESTRICTION
SUBUNIT

(Escherichia
coli) 		PF04851
(ResIII) 		5 ASP C 226
ILE C 225
VAL C 149
ILE C 167
ILE C 241
 AMP  C1001 (-3.1A)
None
None
None
None
 1.23A 3ohtA-4zcfC:
undetectable
3ohtB-4zcfC:
undetectable		 3ohtA-4zcfC:
17.50
3ohtB-4zcfC:
17.50
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.
5afd N-ACETYLNEURAMINATE
LYASE

(Aliivibrio
salmonicida) 		PF00701
(DHDPS) 		5 ASP A  86
ILE A  84
ILE A  99
ILE A 125
ALA A  81
 None
 1.17A 3ohtA-5afdA:
undetectable
3ohtB-5afdA:
undetectable		 3ohtA-5afdA:
19.49
3ohtB-5afdA:
19.49
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.
5b8i CALCINEURIN SUBUNIT
B, VARIANT
SERINE/THREONINE-PRO
TEIN PHOSPHATASE

(Coccidioides
immitis) 		PF00149
(Metallophos)
PF13202
(EF-hand_5)
PF13499
(EF-hand_7) 		5 ASP B 100
ILE B 101
VAL A 367
ILE B 132
ILE B 114
 CA  B 203 (-3.2A)
None
None
None
None
 1.22A 3ohtA-5b8iB:
undetectable
3ohtB-5b8iB:
undetectable		 3ohtA-5b8iB:
21.23
3ohtB-5b8iB:
21.23
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.
5chc DMSO REDUCTASE
FAMILY TYPE II
ENZYME,
MOLYBDOPTERIN
SUBUNIT

(Azospira oryzae) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 ASP A 123
ILE A 125
VAL A 562
ILE A 564
ILE A 157
 None
None
None
MD1  A1004 (-4.4A)
None
 1.08A 3ohtA-5chcA:
undetectable
3ohtB-5chcA:
undetectable		 3ohtA-5chcA:
16.96
3ohtB-5chcA:
16.96
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.
5csu 4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC

(Arabidopsis
thaliana) 		PF02446
(Glyco_hydro_77) 		5 ILE A 415
VAL A 120
ILE A 521
ILE A 417
ALA A 363
 EDO  A 602 ( 3.7A)
None
None
None
EDO  A 602 ( 4.6A)
 0.96A 3ohtA-5csuA:
undetectable
3ohtB-5csuA:
undetectable		 3ohtA-5csuA:
23.14
3ohtB-5csuA:
23.14
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.
5fku DNA POLYMERASE III
SUBUNIT ALPHA

(Escherichia
coli) 		PF01336
(tRNA_anti-codon)
PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		5 ILE A 850
ARG A 895
ILE A 883
ILE A 835
ALA A 848
 None
 1.23A 3ohtA-5fkuA:
undetectable
3ohtB-5fkuA:
undetectable		 3ohtA-5fkuA:
16.88
3ohtB-5fkuA:
16.88
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.
5h2v IMPORTIN SUBUNIT
BETA-3

(Saccharomyces
cerevisiae) 		PF13513
(HEAT_EZ) 		5 ILE A 887
ARG A 917
ILE A 949
ALA A 928
TYR A 935
 None
 1.19A 3ohtA-5h2vA:
undetectable
3ohtB-5h2vA:
undetectable		 3ohtA-5h2vA:
16.73
3ohtB-5h2vA:
16.73
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.
5ihs ENDOGLUCANASE,
GLYCOSIDE HYDROLASE
FAMILY 5 PROTEIN

(Cytophaga
hutchinsonii) 		PF00150
(Cellulase) 		5 ASP A 122
ILE A 121
ILE A  27
ILE A 152
TYR A 154
 None
 1.14A 3ohtA-5ihsA:
undetectable
3ohtB-5ihsA:
undetectable		 3ohtA-5ihsA:
22.54
3ohtB-5ihsA:
22.54
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.
5m5j THIOREDOXIN
REDUCTASE

(Giardia
intestinalis) 		PF07992
(Pyr_redox_2) 		5 ASP A 141
VAL A 219
ARG A 230
ILE A 221
ALA A 136
 FAD  A1001 ( 4.1A)
None
None
None
FAD  A1001 ( 4.0A)
 1.15A 3ohtA-5m5jA:
undetectable
3ohtB-5m5jA:
undetectable		 3ohtA-5m5jA:
21.31
3ohtB-5m5jA:
21.31
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.
5me3 SISTER CHROMATID
COHESION PROTEIN 2

(Eremothecium
gossypii) 		PF12765
(Cohesin_HEAT)
PF12830
(Nipped-B_C) 		5 VAL A1082
ARG A1058
ILE A1109
ILE A1098
ALA A1033
 None
 1.16A 3ohtA-5me3A:
2.9
3ohtB-5me3A:
2.8		 3ohtA-5me3A:
17.18
3ohtB-5me3A:
17.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5npr UDP-N-ACETYLGLUCOSAM
INE--PEPTIDE
N-ACETYLGLUCOSAMINYL
TRANSFERASE 110 KDA
SUBUNIT

(Homo sapiens) 		no annotation 5 ASP A 616
ILE A 608
VAL A 527
ILE A 333
ALA A 615
 None
 1.18A 3ohtA-5nprA:
undetectable
3ohtB-5nprA:
undetectable		 3ohtA-5nprA:
12.40
3ohtB-5nprA:
12.40
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.
5tpw GLUTAMATE RECEPTOR
IONOTROPIC, NMDA 2A

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		5 ASP B 294
ILE B 127
VAL B 362
ILE B 364
ALA B 290
 None
 1.12A 3ohtA-5tpwB:
undetectable
3ohtB-5tpwB:
undetectable		 3ohtA-5tpwB:
20.57
3ohtB-5tpwB:
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.
5u1o GLUTATHIONE
REDUCTASE

(Vibrio
parahaemolyticus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ASP A 272
VAL A 127
ILE A  12
ILE A 289
ALA A 270
 None
 1.20A 3ohtA-5u1oA:
undetectable
3ohtB-5u1oA:
undetectable		 3ohtA-5u1oA:
20.70
3ohtB-5u1oA:
20.70
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.
5wrj PROTEIN-TYROSINE
SULFOTRANSFERASE 1

(Homo sapiens) 		PF13469
(Sulfotransfer_3) 		5 ILE A  72
ARG A  86
VAL A 290
ILE A 272
ILE A  95
 None
None
A3P  A 401 (-4.0A)
None
None
 1.12A 3ohtA-5wrjA:
undetectable
3ohtB-5wrjA:
undetectable		 3ohtA-5wrjA:
22.86
3ohtB-5wrjA:
22.86
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.
6d04 RETICULOCYTE BINDING
PROTEIN 2, PUTATIVE

(Plasmodium
vivax) 		no annotation 5 ASP E 323
ILE E 325
ILE E 303
ILE E 426
TYR E 321
 None
 1.15A 3ohtA-6d04E:
undetectable
3ohtB-6d04E:
undetectable		 3ohtA-6d04E:
12.57
3ohtB-6d04E:
12.57