SIMILAR PATTERNS OF AMINO ACIDS FOR 5BTI_E_LFXE101_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.
1b04 PROTEIN (DNA LIGASE)

(Geobacillus
stearothermophilus) 		PF01653
(DNA_ligase_aden) 		4 SER A  83
ARG A 204
GLY A 141
GLU A 142
 None
 1.21A 5btiA-1b04A:
0.0
5btiB-1b04A:
undetectable		 5btiA-1b04A:
22.20
5btiB-1b04A:
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.
1c7j PROTEIN
(PARA-NITROBENZYL
ESTERASE)

(Bacillus
subtilis) 		PF00135
(COesterase) 		4 SER A 350
GLY A 311
THR A 306
GLU A 310
 None
 1.11A 5btiA-1c7jA:
0.0
5btiB-1c7jA:
undetectable		 5btiA-1c7jA:
22.78
5btiB-1c7jA:
20.99
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.
1d3y DNA TOPOISOMERASE VI
A SUBUNIT

(Methanocaldococcus
jannaschii) 		PF04406
(TP6A_N) 		4 SER A 105
ARG A 134
GLY A 138
GLU A 135
 None
 1.19A 5btiA-1d3yA:
0.0
5btiB-1d3yA:
6.1		 5btiA-1d3yA:
20.48
5btiB-1d3yA:
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.
1dof ADENYLOSUCCINATE
LYASE

(Pyrobaculum
aerophilum) 		PF00206
(Lyase_1) 		4 SER A 367
ARG A 360
THR A 382
GLU A 384
 None
 1.15A 5btiA-1dofA:
0.4
5btiB-1dofA:
undetectable		 5btiA-1dofA:
23.86
5btiB-1dofA:
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.
1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT

(Desulfovibrio
desulfuricans) 		PF00374
(NiFeSe_Hases) 		4 SER B 506
ARG B 469
GLY B 470
THR B  77
 None
FNE  B 543 (-3.5A)
None
FNE  B 543 ( 4.4A)
 0.97A 5btiA-1e3dB:
0.0
5btiB-1e3dB:
undetectable		 5btiA-1e3dB:
23.33
5btiB-1e3dB:
19.92
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.
1eke RIBONUCLEASE HII

(Methanocaldococcus
jannaschii) 		PF01351
(RNase_HII) 		4 SER A 186
ARG A  11
GLY A  10
GLU A   8
 None
 0.86A 5btiA-1ekeA:
undetectable
5btiB-1ekeA:
undetectable		 5btiA-1ekeA:
18.98
5btiB-1ekeA:
19.19
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.
1k7h ALKALINE PHOSPHATASE

(Pandalus
borealis) 		PF00245
(Alk_phosphatase) 		4 SER A  42
GLY A  36
THR A 145
GLU A 310
 None
None
ZN  A 479 ( 4.6A)
ZN  A 479 (-2.5A)
 1.16A 5btiA-1k7hA:
undetectable
5btiB-1k7hA:
0.6		 5btiA-1k7hA:
22.68
5btiB-1k7hA:
19.47
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.
1l5j ACONITATE HYDRATASE
2

(Escherichia
coli) 		PF00330
(Aconitase)
PF06434
(Aconitase_2_N)
PF11791
(Aconitase_B_N) 		4 SER A 512
GLY A 243
THR A 790
GLU A 601
 None
None
F3S  A 868 (-3.4A)
None
 1.20A 5btiA-1l5jA:
0.0
5btiB-1l5jA:
0.8		 5btiA-1l5jA:
21.53
5btiB-1l5jA:
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.
1qxp MU-LIKE CALPAIN

(Bos taurus;
Rattus
norvegicus) 		PF00648
(Peptidase_C2)
PF01067
(Calpain_III)
PF13833
(EF-hand_8) 		4 SER A 113
ARG A 283
GLY A 322
GLU A 323
 None
 1.18A 5btiA-1qxpA:
0.0
5btiB-1qxpA:
undetectable		 5btiA-1qxpA:
20.81
5btiB-1qxpA:
14.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sc6 D-3-PHOSPHOGLYCERATE
DEHYDROGENASE

(Escherichia
coli) 		PF00389
(2-Hacid_dh)
PF01842
(ACT)
PF02826
(2-Hacid_dh_C) 		4 SER A  26
GLY A  18
THR A  63
GLU A  17
 None
 1.21A 5btiA-1sc6A:
3.8
5btiB-1sc6A:
undetectable		 5btiA-1sc6A:
21.91
5btiB-1sc6A:
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.
1sp8 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Zea mays) 		PF00903
(Glyoxalase) 		4 ARG A  77
GLY A 203
THR A  82
GLU A 202
 None
 1.02A 5btiA-1sp8A:
undetectable
5btiB-1sp8A:
undetectable		 5btiA-1sp8A:
21.37
5btiB-1sp8A:
21.14
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.
1uax RIBONUCLEASE HII

(Pyrococcus
horikoshii) 		PF01351
(RNase_HII) 		4 SER A 172
ARG A  11
GLY A  10
GLU A   8
 None
 1.09A 5btiA-1uaxA:
undetectable
5btiB-1uaxA:
undetectable		 5btiA-1uaxA:
20.00
5btiB-1uaxA:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ufa TT1467 PROTEIN

(Thermus
thermophilus) 		PF03065
(Glyco_hydro_57)
PF09210
(DUF1957) 		5 SER A 258
ARG A 387
GLY A 179
THR A 385
GLU A 138
 None
 1.39A 5btiA-1ufaA:
undetectable
5btiB-1ufaA:
undetectable		 5btiA-1ufaA:
20.70
5btiB-1ufaA:
18.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v71 HYPOTHETICAL PROTEIN
C320.14 IN
CHROMOSOME III

(Schizosaccharomyces
pombe) 		PF00291
(PALP) 		4 SER A  82
GLY A 183
THR A 259
GLU A 208
 None
PLP  A 350 (-3.3A)
None
MG  A 360 (-3.2A)
 1.16A 5btiA-1v71A:
undetectable
5btiB-1v71A:
undetectable		 5btiA-1v71A:
20.47
5btiB-1v71A:
22.92
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.
1v9p DNA LIGASE

(Thermus
filiformis) 		PF01653
(DNA_ligase_aden)
PF03120
(DNA_ligase_OB)
PF12826
(HHH_2)
PF14520
(HHH_5) 		4 SER A 501
ARG A 439
GLY A 453
GLU A 454
 None
 1.11A 5btiA-1v9pA:
undetectable
5btiB-1v9pA:
2.5		 5btiA-1v9pA:
23.96
5btiB-1v9pA:
19.60
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.
1ve2 UROPORPHYRIN-III
C-METHYLTRANSFERASE

(Thermus
thermophilus) 		PF00590
(TP_methylase) 		4 SER A 117
ARG A  94
GLY A  95
GLU A  97
 None
 1.11A 5btiA-1ve2A:
undetectable
5btiB-1ve2A:
undetectable		 5btiA-1ve2A:
19.88
5btiB-1ve2A:
21.15
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.
1yr7 ATP(GTP)BINDING
PROTEIN

(Pyrococcus
abyssi) 		PF03029
(ATP_bind_1) 		4 SER A  47
ARG A  22
GLY A  18
GLU A  19
 None
 0.94A 5btiA-1yr7A:
undetectable
5btiB-1yr7A:
undetectable		 5btiA-1yr7A:
20.50
5btiB-1yr7A:
24.73
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.
2a2d N-ACETYLGALACTOSAMIN
E KINASE

(Homo sapiens) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		4 SER A 146
ARG A 180
GLY A 183
GLU A 185
 ANP  A 461 (-2.7A)
None
None
None
 1.19A 5btiA-2a2dA:
0.9
5btiB-2a2dA:
undetectable		 5btiA-2a2dA:
22.48
5btiB-2a2dA:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bi0 HYPOTHETICAL PROTEIN
RV0216

(Mycobacterium
tuberculosis) 		no annotation 4 SER A  81
ARG A  95
GLY A  96
GLU A 275
 None
 1.21A 5btiA-2bi0A:
undetectable
5btiB-2bi0A:
undetectable		 5btiA-2bi0A:
21.12
5btiB-2bi0A:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d7u ADENYLOSUCCINATE
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00709
(Adenylsucc_synt) 		4 SER A 195
GLY A  35
THR A  59
GLU A 176
 None
 1.17A 5btiA-2d7uA:
undetectable
5btiB-2d7uA:
undetectable		 5btiA-2d7uA:
21.29
5btiB-2d7uA:
22.92
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.
2d7u ADENYLOSUCCINATE
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00709
(Adenylsucc_synt) 		4 SER A 271
GLY A 177
THR A  59
GLU A 176
 None
 1.08A 5btiA-2d7uA:
undetectable
5btiB-2d7uA:
undetectable		 5btiA-2d7uA:
21.29
5btiB-2d7uA:
22.92
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.
2dr1 386AA LONG
HYPOTHETICAL SERINE
AMINOTRANSFERASE

(Pyrococcus
horikoshii) 		PF00266
(Aminotran_5) 		4 SER A 116
GLY A 107
THR A 157
GLU A 156
 None
None
PLP  A1001 (-2.8A)
None
 1.05A 5btiA-2dr1A:
undetectable
5btiB-2dr1A:
undetectable		 5btiA-2dr1A:
23.32
5btiB-2dr1A:
22.51
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.
2eo1 CDNA FLJ14124 FIS,
CLONE MAMMA1002498

(Homo sapiens) 		PF07679
(I-set) 		4 SER A   5
GLY A  87
THR A  43
GLU A  84
 None
 1.15A 5btiA-2eo1A:
undetectable
5btiB-2eo1A:
undetectable		 5btiA-2eo1A:
10.74
5btiB-2eo1A:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gai DNA TOPOISOMERASE I

(Thermotoga
maritima) 		PF01131
(Topoisom_bac)
PF01751
(Toprim) 		4 SER A 263
GLY A 460
THR A 511
GLU A 515
 None
 1.19A 5btiA-2gaiA:
undetectable
5btiB-2gaiA:
8.1		 5btiA-2gaiA:
21.65
5btiB-2gaiA:
18.23
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.
2gw3 KAEDE

(Trachyphyllia
geoffroyi) 		PF01353
(GFP) 		4 SER A   2
ARG A  66
GLY A  36
GLU A 212
 None
CR8  A  63 ( 3.0A)
None
CR8  A  63 ( 3.6A)
 1.21A 5btiA-2gw3A:
undetectable
5btiB-2gw3A:
undetectable		 5btiA-2gw3A:
20.12
5btiB-2gw3A:
23.99
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.
2ia2 PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Rhodococcus
jostii) 		PF01614
(IclR)
PF09339
(HTH_IclR) 		4 ARG A 217
GLY A 218
THR A 254
GLU A 257
 None
 1.09A 5btiA-2ia2A:
2.5
5btiB-2ia2A:
undetectable		 5btiA-2ia2A:
22.33
5btiB-2ia2A:
23.24
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.
2ibb CG9211-PA

(Drosophila
melanogaster) 		PF00041
(fn3) 		4 SER A 622
ARG A 672
GLY A 671
GLU A 589
 None
 1.04A 5btiA-2ibbA:
undetectable
5btiB-2ibbA:
undetectable		 5btiA-2ibbA:
17.23
5btiB-2ibbA:
19.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ivp O-SIALOGLYCOPROTEIN
ENDOPEPTIDASE

(Pyrococcus
abyssi) 		PF00814
(Peptidase_M22) 		4 ARG A 144
GLY A 140
THR A 243
GLU A 139
 None
 1.20A 5btiA-2ivpA:
undetectable
5btiB-2ivpA:
undetectable		 5btiA-2ivpA:
23.33
5btiB-2ivpA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1

(Homo sapiens) 		PF00171
(Aldedh) 		4 SER A 431
GLY A 471
THR A 246
GLU A 269
 None
None
NAI  A1501 (-4.2A)
NAI  A1501 (-4.0A)
 0.99A 5btiA-2j6lA:
undetectable
5btiB-2j6lA:
undetectable		 5btiA-2j6lA:
22.97
5btiB-2j6lA:
19.76
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.
2j7n RNA-DEPENDENT RNA
POLYMERASE

(Neurospora
crassa) 		PF05183
(RdRP) 		4 SER A1307
ARG A1230
GLY A1232
GLU A1233
 None
 1.14A 5btiA-2j7nA:
undetectable
5btiB-2j7nA:
undetectable		 5btiA-2j7nA:
19.42
5btiB-2j7nA:
14.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jg7 ANTIQUITIN

(Acanthopagrus
schlegelii) 		PF00171
(Aldedh) 		4 SER A 429
GLY A 469
THR A 244
GLU A 267
 None
None
NAD  A1510 (-4.1A)
NAD  A1510 (-3.9A)
 1.03A 5btiA-2jg7A:
undetectable
5btiB-2jg7A:
undetectable		 5btiA-2jg7A:
22.82
5btiB-2jg7A:
18.93
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.
2kbb TALIN-1

(Mus musculus) 		no annotation 4 SER A1754
ARG A1690
GLY A1747
GLU A1691
 None
 1.01A 5btiA-2kbbA:
undetectable
5btiB-2kbbA:
undetectable		 5btiA-2kbbA:
19.85
5btiB-2kbbA:
22.09
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.
2lgw DNAJ HOMOLOG
SUBFAMILY B MEMBER 2

(Homo sapiens) 		PF00226
(DnaJ) 		4 SER A   3
ARG A  67
GLY A  69
GLU A  71
 None
 1.00A 5btiA-2lgwA:
undetectable
5btiB-2lgwA:
undetectable		 5btiA-2lgwA:
9.70
5btiB-2lgwA:
17.00
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.
2pka KALLIKREIN A

(Sus scrofa) 		PF00089
(Trypsin) 		4 SER B 110
ARG A  70
GLY A  69
GLU A  77
 None
 1.17A 5btiA-2pkaB:
undetectable
5btiB-2pkaB:
undetectable		 5btiA-2pkaB:
14.80
5btiB-2pkaB:
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.
2q0x UNCHARACTERIZED
PROTEIN

(Trypanosoma
brucei) 		PF08538
(DUF1749) 		4 SER A  82
ARG A 172
GLY A 171
GLU A 170
 None
 0.93A 5btiA-2q0xA:
undetectable
5btiB-2q0xA:
3.5		 5btiA-2q0xA:
23.50
5btiB-2q0xA:
22.13
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.
2xj9 MIPZ

(Caulobacter
vibrioides) 		PF09140
(MipZ) 		4 SER A 136
ARG A 219
GLY A 217
GLU A 256
 None
 1.13A 5btiA-2xj9A:
undetectable
5btiB-2xj9A:
2.7		 5btiA-2xj9A:
21.65
5btiB-2xj9A:
24.15
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.
2xsg CCMAN5

(Cellulosimicrobium
cellulans) 		PF07971
(Glyco_hydro_92) 		4 SER A 144
ARG A 148
GLY A 249
GLU A 247
 None
 1.13A 5btiA-2xsgA:
undetectable
5btiB-2xsgA:
undetectable		 5btiA-2xsgA:
20.46
5btiB-2xsgA:
16.25
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.
2ylz PHENYLACETONE
MONOOXYGENASE

(Thermobifida
fusca) 		PF13738
(Pyr_redox_3) 		4 SER A 441
GLY A  25
THR A  47
GLU A  46
 None
FAD  A 700 (-3.4A)
FAD  A 700 (-4.3A)
FAD  A 700 (-2.7A)
 1.18A 5btiA-2ylzA:
undetectable
5btiB-2ylzA:
undetectable		 5btiA-2ylzA:
23.13
5btiB-2ylzA:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zbz CYTOCHROME P450-SU1

(Streptomyces
griseolus) 		PF00067
(p450) 		4 SER A  70
ARG A 107
GLY A 104
THR A 110
 None
HEM  A 413 (-3.9A)
None
None
 1.05A 5btiA-2zbzA:
undetectable
5btiB-2zbzA:
undetectable		 5btiA-2zbzA:
24.11
5btiB-2zbzA:
22.20
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.
3ab0 ANTIBODY SCFV
FRAGMENT, LIGHT
CHAIN
BCLA PROTEIN

(Bacillus
anthracis;
Mus musculus) 		PF07686
(V-set)
no annotation 		4 SER C  28
GLY A 157
THR A 125
GLU A 190
 None
 0.84A 5btiA-3ab0C:
undetectable
5btiB-3ab0C:
undetectable		 5btiA-3ab0C:
13.29
5btiB-3ab0C:
14.23
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.
3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00682
(HMGL-like)
PF02436
(PYC_OADA) 		5 SER A 910
ARG A 675
GLY A 609
THR A 568
GLU A 605
 None
 1.36A 5btiA-3bg9A:
undetectable
5btiB-3bg9A:
undetectable		 5btiA-3bg9A:
22.34
5btiB-3bg9A:
17.58
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.
3bt6 INFLUENZA B
HEMAGGLUTININ (HA)

(Influenza B
virus) 		PF00509
(Hemagglutinin) 		4 SER B  40
GLY B 106
THR A  20
GLU B 105
 None
 1.15A 5btiA-3bt6B:
undetectable
5btiB-3bt6B:
undetectable		 5btiA-3bt6B:
15.34
5btiB-3bt6B:
22.92
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.
3cf4 ACETYL-COA
DECARBOXYLASE/SYNTHA
SE ALPHA SUBUNIT

(Methanosarcina
barkeri) 		PF03063
(Prismane) 		4 SER A 200
ARG A 662
GLY A 103
THR A  70
 None
 1.20A 5btiA-3cf4A:
undetectable
5btiB-3cf4A:
undetectable		 5btiA-3cf4A:
22.01
5btiB-3cf4A:
15.81
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.
3dwb ENDOTHELIN-CONVERTIN
G ENZYME 1

(Homo sapiens) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		4 SER A 127
ARG A 738
GLY A 741
THR A 664
 None
RDF  A 817 (-3.0A)
None
None
 1.06A 5btiA-3dwbA:
undetectable
5btiB-3dwbA:
undetectable		 5btiA-3dwbA:
19.82
5btiB-3dwbA:
16.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3emq ENDO-1,4-BETA-XYLANA
SE

(Paenibacillus
barcinonensis) 		PF00331
(Glyco_hydro_10) 		4 SER A  40
GLY A 208
THR A 182
GLU A 181
 None
 1.18A 5btiA-3emqA:
undetectable
5btiB-3emqA:
undetectable		 5btiA-3emqA:
22.55
5btiB-3emqA:
21.75
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.
3evn OXIDOREDUCTASE,
GFO/IDH/MOCA FAMILY

(Streptococcus
agalactiae) 		PF01408
(GFO_IDH_MocA) 		4 SER A 213
ARG A 317
GLY A 320
GLU A 322
 None
 1.15A 5btiA-3evnA:
undetectable
5btiB-3evnA:
2.9		 5btiA-3evnA:
22.47
5btiB-3evnA:
21.96
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.
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus dulcis) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 SER A 269
ARG A  56
GLY A  33
GLU A  55
 None
FAD  A 522 (-4.2A)
FAD  A 522 (-3.3A)
FAD  A 522 (-2.8A)
 1.21A 5btiA-3gdnA:
undetectable
5btiB-3gdnA:
undetectable		 5btiA-3gdnA:
22.07
5btiB-3gdnA:
21.18
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.
3hy8 PYRIDOXINE-5'-PHOSPH
ATE OXIDASE

(Homo sapiens) 		PF01243
(Putative_PNPOx)
PF10590
(PNP_phzG_C) 		4 ARG A 116
GLY A 118
THR A  87
GLU A 120
 PO4  A 370 ( 3.7A)
None
None
None
 1.08A 5btiA-3hy8A:
undetectable
5btiB-3hy8A:
undetectable		 5btiA-3hy8A:
19.96
5btiB-3hy8A:
19.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oyt 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE I

(Yersinia pestis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 SER A 220
ARG A  30
GLY A  29
GLU A  28
 None
 1.17A 5btiA-3oytA:
undetectable
5btiB-3oytA:
undetectable		 5btiA-3oytA:
21.90
5btiB-3oytA:
21.01
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.
3red HYDROXYNITRILE LYASE

(Prunus mume) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 SER A 270
ARG A  56
GLY A  33
GLU A  55
 None
FAD  A 773 (-4.2A)
FAD  A 773 (-3.2A)
FAD  A 773 (-2.8A)
 1.16A 5btiA-3redA:
undetectable
5btiB-3redA:
undetectable		 5btiA-3redA:
23.29
5btiB-3redA:
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.
3zfc CHROMOSOME-ASSOCIATE
D KINESIN KIF4

(Mus musculus) 		PF00225
(Kinesin) 		4 SER A  97
GLY A 244
THR A 251
GLU A 246
 None
ANP  A 501 (-3.5A)
None
None
 1.20A 5btiA-3zfcA:
undetectable
5btiB-3zfcA:
undetectable		 5btiA-3zfcA:
21.49
5btiB-3zfcA:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zl8 UDP-N-ACETYLMURAMOYL
-TRIPEPTIDE--D-ALANY
L-D-ALANINE LIGASE

(Thermotoga
maritima) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		4 SER A  90
ARG A 343
GLY A 341
GLU A 342
 None
 1.14A 5btiA-3zl8A:
undetectable
5btiB-3zl8A:
2.2		 5btiA-3zl8A:
21.17
5btiB-3zl8A:
21.37
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.
3zyx AMINE OXIDASE
[FLAVIN-CONTAINING]
B

(Homo sapiens) 		PF01593
(Amino_oxidase) 		4 SER A  26
ARG A  67
GLY A 443
THR A 430
 None
 1.14A 5btiA-3zyxA:
undetectable
5btiB-3zyxA:
undetectable		 5btiA-3zyxA:
22.90
5btiB-3zyxA:
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.
4b2q ATP SYNTHASE SUBUNIT
BETA, MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		4 SER D 353
ARG D 337
GLY D 338
GLU D 341
 None
 1.11A 5btiA-4b2qD:
undetectable
5btiB-4b2qD:
undetectable		 5btiA-4b2qD:
23.68
5btiB-4b2qD:
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.
4es6 UROPORPHYRINOGEN-III
SYNTHASE

(Pseudomonas
aeruginosa) 		PF02602
(HEM4) 		4 SER A  88
ARG A  68
GLY A  70
GLU A  72
 None
 1.18A 5btiA-4es6A:
undetectable
5btiB-4es6A:
4.5		 5btiA-4es6A:
20.24
5btiB-4es6A:
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.
4fsf PENICILLIN-BINDING
PROTEIN 3

(Pseudomonas
aeruginosa) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		4 SER A  76
ARG A 175
GLY A 166
GLU A 176
 None
 1.10A 5btiA-4fsfA:
undetectable
5btiB-4fsfA:
undetectable		 5btiA-4fsfA:
21.12
5btiB-4fsfA:
19.39
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.
4fwg TTC1975 PEPTIDASE

(Meiothermus
taiwanensis) 		PF05362
(Lon_C)
PF13654
(AAA_32) 		4 SER A 582
ARG A 513
GLY A 628
GLU A 475
 SLA  A 801 (-1.3A)
None
None
None
 1.19A 5btiA-4fwgA:
undetectable
5btiB-4fwgA:
undetectable		 5btiA-4fwgA:
23.09
5btiB-4fwgA:
17.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hmw PYRIDOXAMINE
5'-PHOSPHATE OXIDASE

(Burkholderia
lata) 		PF01243
(Putative_PNPOx)
PF10590
(PNP_phzG_C) 		4 ARG A  84
GLY A  86
THR A  55
GLU A  88
 None
 0.85A 5btiA-4hmwA:
undetectable
5btiB-4hmwA:
undetectable		 5btiA-4hmwA:
18.45
5btiB-4hmwA:
23.57
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.
4hwg UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Rickettsia
bellii) 		PF02350
(Epimerase_2) 		4 ARG A 305
GLY A 308
THR A 146
GLU A 307
 None
 1.19A 5btiA-4hwgA:
undetectable
5btiB-4hwgA:
2.4		 5btiA-4hwgA:
21.85
5btiB-4hwgA:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4je5 AROMATIC/AMINOADIPAT
E AMINOTRANSFERASE 1

(Saccharomyces
cerevisiae) 		PF00155
(Aminotran_1_2) 		4 SER A 147
ARG A 299
GLY A 318
THR A 122
 None
 1.09A 5btiA-4je5A:
4.1
5btiB-4je5A:
undetectable		 5btiA-4je5A:
23.94
5btiB-4je5A:
21.74
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.
4l7v PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Vibrio cholerae) 		PF01135
(PCMT) 		4 SER A 157
ARG A 105
GLY A  83
GLU A 104
 None
ACT  A 303 ( 2.4A)
SAH  A 301 (-3.3A)
SAH  A 301 (-2.7A)
 1.15A 5btiA-4l7vA:
undetectable
5btiB-4l7vA:
undetectable		 5btiA-4l7vA:
20.13
5btiB-4l7vA:
23.21
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.
4lc9 GLUCOKINASE
REGULATORY PROTEIN

(Rattus
norvegicus) 		no annotation 4 SER A 255
ARG A 602
GLY A 498
GLU A 599
 None
 1.08A 5btiA-4lc9A:
undetectable
5btiB-4lc9A:
3.6		 5btiA-4lc9A:
22.00
5btiB-4lc9A:
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.
4nl4 PRIMOSOME ASSEMBLY
PROTEIN PRIA

(Klebsiella
pneumoniae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		4 SER H 134
ARG H 168
GLY H 171
GLU H 174
 None
 1.05A 5btiA-4nl4H:
3.7
5btiB-4nl4H:
undetectable		 5btiA-4nl4H:
22.99
5btiB-4nl4H:
17.62
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.
4o0l NADPH-DEPENDENT
3-QUINUCLIDINONE
REDUCTASE

(Rhodotorula
mucilaginosa) 		PF13561
(adh_short_C2) 		4 SER A  69
ARG A  60
THR A  88
GLU A  86
 None
NDP  A 300 (-3.4A)
NDP  A 300 ( 4.0A)
NDP  A 300 (-3.0A)
 1.21A 5btiA-4o0lA:
undetectable
5btiB-4o0lA:
2.8		 5btiA-4o0lA:
20.16
5btiB-4o0lA:
21.75
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.
4obs ALPHA-L-IDURONIDASE

(Homo sapiens) 		PF01229
(Glyco_hydro_39) 		4 ARG A 210
GLY A 208
THR A 249
GLU A 207
 None
 1.09A 5btiA-4obsA:
undetectable
5btiB-4obsA:
2.1		 5btiA-4obsA:
22.13
5btiB-4obsA:
19.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4plb CHIMERA PROTEIN OF
DNA GYRASE SUBUNITS
B AND A

(Staphylococcus
aureus) 		PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim) 		4 SER B1084
ARG B 458
GLY B 459
GLU B 477
 None
 1.04A 5btiA-4plbB:
53.2
5btiB-4plbB:
28.2		 5btiA-4plbB:
41.64
5btiB-4plbB:
22.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4plb CHIMERA PROTEIN OF
DNA GYRASE SUBUNITS
B AND A

(Staphylococcus
aureus) 		PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim) 		4 SER B1085
ARG B 458
GLY B 459
GLU B 477
 None
 1.21A 5btiA-4plbB:
53.2
5btiB-4plbB:
28.2		 5btiA-4plbB:
41.64
5btiB-4plbB:
22.93
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.
4pxn UNCHARACTERIZED
PROTEIN

(Zea mays) 		PF00171
(Aldedh) 		4 SER A 428
GLY A 468
THR A 244
GLU A 267
 None
None
NAD  A 601 (-4.1A)
NAD  A 601 (-4.3A)
 1.11A 5btiA-4pxnA:
undetectable
5btiB-4pxnA:
undetectable		 5btiA-4pxnA:
22.43
5btiB-4pxnA:
19.66
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.
4rep GAMMA-CAROTENE
DESATURASE

(Nonlabens
dokdonensis) 		PF01593
(Amino_oxidase) 		4 SER A 195
ARG A 428
GLY A 429
GLU A 421
 None
 0.92A 5btiA-4repA:
1.0
5btiB-4repA:
undetectable		 5btiA-4repA:
19.29
5btiB-4repA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rep GAMMA-CAROTENE
DESATURASE

(Nonlabens
dokdonensis) 		PF01593
(Amino_oxidase) 		4 SER A 436
ARG A 428
GLY A 429
GLU A 421
 None
 1.16A 5btiA-4repA:
1.0
5btiB-4repA:
undetectable		 5btiA-4repA:
19.29
5btiB-4repA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rkz PUTATIVE
UNCHARACTERIZED
PROTEIN TA1305

(Thermoplasma
acidophilum) 		no annotation 4 SER A  48
ARG A 144
GLY A 148
THR A 153
 ADP  A 401 (-3.4A)
3S4  A 402 (-2.8A)
None
None
 1.19A 5btiA-4rkzA:
1.7
5btiB-4rkzA:
undetectable		 5btiA-4rkzA:
21.92
5btiB-4rkzA:
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.
4u3w 2-AMINOMUCONATE
6-SEMIALDEHYDE
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00171
(Aldedh) 		4 SER A 430
GLY A 466
THR A 240
GLU A 263
 None
 1.18A 5btiA-4u3wA:
undetectable
5btiB-4u3wA:
undetectable		 5btiA-4u3wA:
24.16
5btiB-4u3wA:
21.03
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.
4u8u GLOBIN B CHAIN
GLOBIN C CHAIN

(Glossoscolex
paulistus) 		PF00042
(Globin) 		4 SER C  79
ARG C  71
GLY B  70
GLU B  87
 None
None
HEM  B 201 ( 4.4A)
None
 1.19A 5btiA-4u8uC:
undetectable
5btiB-4u8uC:
undetectable		 5btiA-4u8uC:
15.51
5btiB-4u8uC:
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.
4ug4 CHOLINE SULFATASE

(Sinorhizobium
meliloti) 		PF00884
(Sulfatase)
PF12411
(Choline_sulf_C) 		4 SER A 242
ARG A 304
GLY A 302
GLU A 303
 None
 1.20A 5btiA-4ug4A:
undetectable
5btiB-4ug4A:
undetectable		 5btiA-4ug4A:
22.13
5btiB-4ug4A:
21.22
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.
4woy MITOCHONDRIAL
DYNAMICS PROTEIN
MID49

(Mus musculus) 		PF03281
(Mab-21) 		4 SER A 238
ARG A 226
GLY A 247
THR A 215
 None
 1.13A 5btiA-4woyA:
undetectable
5btiB-4woyA:
undetectable		 5btiA-4woyA:
22.53
5btiB-4woyA:
23.39
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.
4z8i PEPTIDOGLYCAN
RECOGNITION PROTEIN
3

(Branchiostoma
belcheri) 		PF01510
(Amidase_2) 		4 SER A  95
ARG A 142
GLY A 141
THR A  77
 None
 1.20A 5btiA-4z8iA:
undetectable
5btiB-4z8iA:
undetectable		 5btiA-4z8iA:
18.02
5btiB-4z8iA:
18.66
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.
5aa5 NIFE-HYDROGENASE
LARGE SUBUNIT, HOFG
NIFE-HYDROGENASE
SMALL SUBUNIT, HOFK

(Cupriavidus
necator) 		PF00374
(NiFeSe_Hases)
PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		4 SER C 190
GLY A  34
THR A  27
GLU A  96
 None
SF4  A 503 ( 3.8A)
None
None
 1.18A 5btiA-5aa5C:
undetectable
5btiB-5aa5C:
undetectable		 5btiA-5aa5C:
21.43
5btiB-5aa5C:
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.
5djq CBB3-TYPE CYTOCHROME
C OXIDASE SUBUNIT
CCON1
CBB3-TYPE CYTOCHROME
C OXIDASE SUBUNIT
CCOP1
CBB3-TYPE CYTOCHROME
C OXIDASE SUBUNIT II

(Pseudomonas
stutzeri) 		PF00115
(COX1)
PF02433
(FixO)
PF13442
(Cytochrome_CBB3)
PF14715
(FixP_N) 		4 SER C 144
ARG B 104
GLY B 106
THR A 339
 None
None
HEC  B 301 (-3.4A)
None
 0.96A 5btiA-5djqC:
undetectable
5btiB-5djqC:
undetectable		 5btiA-5djqC:
21.06
5btiB-5djqC:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eb5 HNL ISOENZYME 5

(Prunus dulcis) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 SER A 270
ARG A  56
GLY A  33
GLU A  55
 None
FAD  A 601 (-4.3A)
FAD  A 601 (-3.3A)
FAD  A 601 (-2.9A)
 1.19A 5btiA-5eb5A:
undetectable
5btiB-5eb5A:
undetectable		 5btiA-5eb5A:
22.83
5btiB-5eb5A:
20.52
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.
5fl3 PILI RETRACTION
PROTEIN PILT

(Thermus
thermophilus) 		PF00437
(T2SSE) 		4 SER A 144
ARG A 216
GLY A 213
THR A 220
 ADP  A 400 (-4.6A)
None
None
None
 1.21A 5btiA-5fl3A:
undetectable
5btiB-5fl3A:
undetectable		 5btiA-5fl3A:
24.85
5btiB-5fl3A:
24.40
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.
5hj3 ENVELOPE
GLYCOPROTEIN

(Ebola virus sp.) 		PF01611
(Filo_glycop) 		4 SER C 167
ARG C 172
GLY C 173
GLU C 112
 None
 1.03A 5btiA-5hj3C:
undetectable
5btiB-5hj3C:
undetectable		 5btiA-5hj3C:
19.63
5btiB-5hj3C:
18.80
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.
5j5j DESMOCOLLIN-2,DESMOG
LEIN-2

(Homo sapiens) 		PF00028
(Cadherin) 		4 ARG A 241
GLY A 281
THR A 278
GLU A 280
 None
 1.19A 5btiA-5j5jA:
undetectable
5btiB-5j5jA:
undetectable		 5btiA-5j5jA:
22.31
5btiB-5j5jA:
18.60
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.
5mmh HTH-TYPE
TRANSCRIPTIONAL
ACTIVATOR AMPR

(Pseudomonas
aeruginosa) 		PF03466
(LysR_substrate) 		4 SER A 263
ARG A 294
GLY A 295
GLU A 298
 None
 1.12A 5btiA-5mmhA:
undetectable
5btiB-5mmhA:
undetectable		 5btiA-5mmhA:
19.84
5btiB-5mmhA:
22.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mtz RIBONUCLEASE Z

(Saccharomyces
cerevisiae) 		PF13691
(Lactamase_B_4) 		4 SER A 174
GLY A 698
THR A 723
GLU A 721
 None
 1.13A 5btiA-5mtzA:
undetectable
5btiB-5mtzA:
undetectable		 5btiA-5mtzA:
18.60
5btiB-5mtzA:
15.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n8o DNA HELICASE I

(Escherichia
coli) 		PF07057
(TraI)
PF08751
(TrwC)
PF13604
(AAA_30) 		4 ARG A 978
GLY A 963
THR A 983
GLU A 982
 None
 1.17A 5btiA-5n8oA:
2.5
5btiB-5n8oA:
undetectable		 5btiA-5n8oA:
14.65
5btiB-5n8oA:
10.14
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.
5n8o DNA HELICASE I

(Escherichia
coli) 		PF07057
(TraI)
PF08751
(TrwC)
PF13604
(AAA_30) 		4 SER A 635
ARG A 605
GLY A 603
GLU A 606
 None
 1.10A 5btiA-5n8oA:
2.5
5btiB-5n8oA:
undetectable		 5btiA-5n8oA:
14.65
5btiB-5n8oA:
10.14
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.
5o2u CAPSID PROTEIN P24
VHH 59H10

(Human
immunodeficiency
virus 1;
Lama glama) 		PF00607
(Gag_p24)
PF07686
(V-set) 		4 SER B  62
GLY A 208
THR A 188
GLU A 187
 None
 1.16A 5btiA-5o2uB:
undetectable
5btiB-5o2uB:
undetectable		 5btiA-5o2uB:
15.26
5btiB-5o2uB:
22.78
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.
5sy4 CHAPERONE YAJL

(Escherichia
coli) 		PF01965
(DJ-1_PfpI) 		4 ARG A  49
GLY A  50
THR A  16
GLU A  15
 None
 0.86A 5btiA-5sy4A:
undetectable
5btiB-5sy4A:
undetectable		 5btiA-5sy4A:
20.21
5btiB-5sy4A:
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.
5u2o J30 CCH

(Thermobacillus
composti) 		no annotation 4 SER A 376
ARG A 324
GLY A 359
GLU A 321
 None
 1.13A 5btiA-5u2oA:
undetectable
5btiB-5u2oA:
undetectable		 5btiA-5u2oA:
10.81
5btiB-5u2oA:
17.02
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.
5vve PHOSPHOGLYCERATE
MUTASE

(Naegleria
fowleri) 		PF00300
(His_Phos_1) 		4 SER A 186
GLY A 210
THR A  32
GLU A  36
 None
 1.18A 5btiA-5vveA:
undetectable
5btiB-5vveA:
undetectable		 5btiA-5vveA:
18.11
5btiB-5vveA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wkn NUCLEOPROTEIN

(Mammalian
rubulavirus 5) 		no annotation 4 SER A  81
ARG A 241
GLY A 258
GLU A 262
 None
 1.12A 5btiA-5wknA:
undetectable
5btiB-5wknA:
undetectable		 5btiA-5wknA:
11.70
5btiB-5wknA:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xgw ISOASPARTYL
DIPEPTIDASE

(Colwellia
psychrerythraea) 		no annotation 4 SER A 115
GLY A 125
THR A 393
GLU A 129
 None
 1.18A 5btiA-5xgwA:
undetectable
5btiB-5xgwA:
undetectable		 5btiA-5xgwA:
8.89
5btiB-5xgwA:
15.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y9h SAFD,PUTATIVE OUTER
MEMBRANE
PROTEIN,PUTATIVE
OUTER MEMBRANE
PROTEIN,PUTATIVE
OUTER MEMBRANE
PROTEIN

(Salmonella
enterica) 		no annotation 4 SER A 163
GLY A 300
THR A 261
GLU A 252
 None
 1.11A 5btiA-5y9hA:
undetectable
5btiB-5y9hA:
undetectable		 5btiA-5y9hA:
22.12
5btiB-5y9hA:
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.
5ywp JEV E PROTEIN

(Japanese
encephalitis
virus) 		no annotation 4 ARG A 353
GLY A 352
THR A 321
GLU A 375
 None
 1.06A 5btiA-5ywpA:
undetectable
5btiB-5ywpA:
undetectable		 5btiA-5ywpA:
11.24
5btiB-5ywpA:
15.51
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.
5yz0 SERINE/THREONINE-PRO
TEIN KINASE ATR

(Homo sapiens) 		no annotation 4 ARG A2008
GLY A2007
THR A1989
GLU A1986
 None
 1.11A 5btiA-5yz0A:
undetectable
5btiB-5yz0A:
undetectable		 5btiA-5yz0A:
11.76
5btiB-5yz0A:
16.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b0k IOTA-CARRAGEENAN
SULFATASE

(Pseudoalteromonas) 		no annotation 4 SER A 290
GLY A 158
THR A 102
GLU A 183
 None
G4S  A 503 ( 4.5A)
None
None
 1.21A 5btiA-6b0kA:
undetectable
5btiB-6b0kA:
undetectable		 5btiA-6b0kA:
9.54
5btiB-6b0kA:
15.81
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.
6erc PEROXINECTIN A

(Dictyostelium
discoideum) 		no annotation 4 SER A 350
ARG A 233
GLY A 234
GLU A 231
 None
HEM  A 604 (-3.1A)
None
None
 1.01A 5btiA-6ercA:
undetectable
5btiB-6ercA:
undetectable		 5btiA-6ercA:
10.86
5btiB-6ercA:
14.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f42 DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC1

(Saccharomyces
cerevisiae) 		no annotation 4 SER A1349
ARG A 482
GLY A1093
THR A1087
 None
 1.11A 5btiA-6f42A:
undetectable
5btiB-6f42A:
undetectable		 5btiA-6f42A:
10.66
5btiB-6f42A:
15.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fml RUVB-LIKE HELICASE

(Chaetomium
thermophilum) 		no annotation 4 SER D 438
ARG D 399
GLY D 397
THR D  81
 None
ADP  D 501 (-3.6A)
None
None
 1.08A 5btiA-6fmlD:
undetectable
5btiB-6fmlD:
undetectable		 5btiA-6fmlD:
11.46
5btiB-6fmlD:
14.17
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.
6frv GLUCOAMYLASE

(Aspergillus
niger) 		no annotation 4 SER A 209
ARG A 146
GLY A 129
GLU A 130
 None
 1.06A 5btiA-6frvA:
undetectable
5btiB-6frvA:
undetectable		 5btiA-6frvA:
10.46
5btiB-6frvA:
17.21