SIMILAR PATTERNS OF AMINO ACIDS FOR 5E26_D_PAUD601

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.
1b41 ACETYLCHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		4 VAL A 411
ALA A 231
GLY A 210
GLY A 205
 None
 0.84A 5e26C-1b41A:
undetectable
5e26D-1b41A:
undetectable		 5e26C-1b41A:
19.12
5e26D-1b41A:
19.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1brw PROTEIN (PYRIMIDINE
NUCLEOSIDE
PHOSPHORYLASE)

(Geobacillus
stearothermophilus) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		4 VAL A 407
ALA A 357
GLY A 355
GLY A 364
 None
 0.87A 5e26C-1brwA:
2.1
5e26D-1brwA:
1.7		 5e26C-1brwA:
23.33
5e26D-1brwA:
23.33
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.
1d4e FLAVOCYTOCHROME C
FUMARATE REDUCTASE

(Shewanella
oneidensis) 		PF00890
(FAD_binding_2)
PF14537
(Cytochrom_c3_2) 		4 VAL A 256
ALA A 257
GLY A 161
GLY A 137
 None
 0.83A 5e26C-1d4eA:
undetectable
5e26D-1d4eA:
undetectable		 5e26C-1d4eA:
20.41
5e26D-1d4eA:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1em9 GAG POLYPROTEIN
CAPSID PROTEIN P27

(Rous sarcoma
virus) 		no annotation 4 ALA A 110
GLU A 128
GLY A 108
GLY A 119
 None
 0.91A 5e26C-1em9A:
undetectable
5e26D-1em9A:
undetectable		 5e26C-1em9A:
17.32
5e26D-1em9A:
17.32
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.
1f2d 1-AMINOCYCLOPROPANE-
1-CARBOXYLATE
DEAMINASE

(Cyberlindnera
saturnus) 		PF00291
(PALP) 		4 VAL A 182
GLU A  39
GLY A 177
GLY A 208
 None
 0.79A 5e26C-1f2dA:
2.0
5e26D-1f2dA:
2.0		 5e26C-1f2dA:
21.63
5e26D-1f2dA:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fta FRUCTOSE-1,6-BISPHOS
PHATASE

(Homo sapiens) 		PF00316
(FBPase) 		4 ALA A 165
GLY A 133
ARG A  49
GLY A 168
 None
 0.80A 5e26C-1ftaA:
undetectable
5e26D-1ftaA:
undetectable		 5e26C-1ftaA:
23.88
5e26D-1ftaA:
23.88
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.
1grj GREA PROTEIN

(Escherichia
coli) 		PF01272
(GreA_GreB)
PF03449
(GreA_GreB_N) 		4 VAL A 122
ALA A 127
GLY A 129
GLY A 132
 None
 0.82A 5e26C-1grjA:
undetectable
5e26D-1grjA:
undetectable		 5e26C-1grjA:
19.23
5e26D-1grjA:
19.23
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.
1itz TRANSKETOLASE

(Zea mays) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 VAL A  20
ALA A  46
GLY A  44
GLY A 231
 None
 0.74A 5e26C-1itzA:
undetectable
5e26D-1itzA:
undetectable		 5e26C-1itzA:
19.86
5e26D-1itzA:
19.86
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.
1lua METHYLENE
TETRAHYDROMETHANOPTE
RIN DEHYDROGENASE

(Methylobacterium
extorquens) 		PF09176
(Mpt_N) 		4 VAL A 132
ALA A 103
GLY A 106
GLY A 253
 NAP  A 456 (-3.9A)
None
None
None
 0.80A 5e26C-1luaA:
0.7
5e26D-1luaA:
undetectable		 5e26C-1luaA:
23.56
5e26D-1luaA:
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.
1lvl DIHYDROLIPOAMIDE
DEHYDROGENASE

(Pseudomonas
putida) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 ALA A 141
GLY A 143
ARG A 315
GLY A 308
 FAD  A 459 (-4.5A)
FAD  A 459 (-3.3A)
None
None
 0.85A 5e26C-1lvlA:
undetectable
5e26D-1lvlA:
undetectable		 5e26C-1lvlA:
22.12
5e26D-1lvlA:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1np7 DNA PHOTOLYASE

(Synechocystis
sp. PCC 6803) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		4 ALA A 257
GLU A 109
GLY A 259
SER A 138
 None
 0.88A 5e26C-1np7A:
undetectable
5e26D-1np7A:
undetectable		 5e26C-1np7A:
22.03
5e26D-1np7A:
22.03
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.
1q5q PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		4 ALA H 194
GLU H  32
GLY H  16
GLY H  44
 None
 0.82A 5e26C-1q5qH:
undetectable
5e26D-1q5qH:
undetectable		 5e26C-1q5qH:
20.53
5e26D-1q5qH:
20.53
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.
1rfs RIESKE PROTEIN

(Spinacia
oleracea) 		PF00355
(Rieske) 		4 VAL A  63
ALA A  55
GLY A  82
GLY A 102
 None
 0.89A 5e26C-1rfsA:
undetectable
5e26D-1rfsA:
undetectable		 5e26C-1rfsA:
18.50
5e26D-1rfsA:
18.50
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.
1tkc TRANSKETOLASE

(Saccharomyces
cerevisiae) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 VAL A  12
ALA A  38
GLY A  36
GLY A 220
 None
 0.84A 5e26C-1tkcA:
undetectable
5e26D-1tkcA:
undetectable		 5e26C-1tkcA:
19.61
5e26D-1tkcA:
19.61
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.
1tzm 1-AMINOCYCLOPROPANE-
1-CARBOXYLATE
DEAMINASE

(Pseudomonas sp.
ACP) 		PF00291
(PALP) 		4 VAL A 179
GLU A  39
GLY A 174
GLY A 205
 None
 0.78A 5e26C-1tzmA:
1.9
5e26D-1tzmA:
1.9		 5e26C-1tzmA:
22.69
5e26D-1tzmA:
22.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uc4 DIOL DEHYDRASE ALPHA
SUBUNIT

(Klebsiella
oxytoca) 		PF02286
(Dehydratase_LU) 		4 VAL A  20
ALA A 308
GLY A 304
GLY A 263
 None
 0.82A 5e26C-1uc4A:
undetectable
5e26D-1uc4A:
undetectable		 5e26C-1uc4A:
21.84
5e26D-1uc4A:
21.84
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.
1wm9 GTP CYCLOHYDROLASE I

(Thermus
thermophilus) 		PF01227
(GTP_cyclohydroI) 		4 VAL A 154
ALA A 196
GLY A 170
GLY A 199
 None
 0.80A 5e26C-1wm9A:
undetectable
5e26D-1wm9A:
undetectable		 5e26C-1wm9A:
20.71
5e26D-1wm9A:
20.71
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.
1xhk PUTATIVE PROTEASE LA
HOMOLOG

(Methanocaldococcus
jannaschii) 		PF05362
(Lon_C) 		4 VAL A 467
ALA A 466
GLY A 464
GLY A 576
 None
 0.88A 5e26C-1xhkA:
undetectable
5e26D-1xhkA:
undetectable		 5e26C-1xhkA:
21.10
5e26D-1xhkA:
21.10
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.
2a4k 3-OXOACYL-[ACYL
CARRIER PROTEIN]
REDUCTASE

(Thermus
thermophilus) 		PF13561
(adh_short_C2) 		4 ALA A 143
GLY A 145
ARG A 239
GLY A 140
 None
UNX  A 277 ( 4.7A)
None
None
 0.84A 5e26C-2a4kA:
undetectable
5e26D-2a4kA:
undetectable		 5e26C-2a4kA:
21.39
5e26D-2a4kA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2aqw PUTATIVE
OROTIDINE-MONOPHOSPH
ATE-DECARBOXYLASE

(Plasmodium
yoelii) 		PF00215
(OMPdecase) 		4 VAL A 244
GLY A 241
SER A 262
ARG A 256
 None
 0.83A 5e26C-2aqwA:
2.2
5e26D-2aqwA:
undetectable		 5e26C-2aqwA:
20.31
5e26D-2aqwA:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b2i AMMONIUM TRANSPORTER

(Archaeoglobus
fulgidus) 		PF00909
(Ammonium_transp) 		4 VAL A 222
ALA A 272
GLY A 276
GLY A 312
 None
 0.85A 5e26C-2b2iA:
undetectable
5e26D-2b2iA:
undetectable		 5e26C-2b2iA:
23.30
5e26D-2b2iA:
23.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2i7n PANTOTHENATE KINASE
1

(Homo sapiens) 		PF03630
(Fumble) 		4 GLY A 418
SER A 420
ARG A 432
GLY A 435
 ACO  A 796 (-3.2A)
ACO  A 796 (-2.8A)
ACO  A 796 (-3.2A)
ACO  A 796 ( 4.2A)
 0.23A 5e26C-2i7nA:
41.0
5e26D-2i7nA:
41.4		 5e26C-2i7nA:
83.06
5e26D-2i7nA:
83.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2i7p PANTOTHENATE KINASE
3

(Homo sapiens) 		PF03630
(Fumble) 		4 GLY A 193
SER A 195
ARG A 207
GLY A 210
 ACO  A1604 (-3.2A)
ACO  A1604 (-2.6A)
ACO  A1604 (-3.2A)
ACO  A1604 ( 3.9A)
 0.17A 5e26C-2i7pA:
38.0
5e26D-2i7pA:
38.1		 5e26C-2i7pA:
82.19
5e26D-2i7pA:
82.19
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.
2kts HEAT SHOCK PROTEIN
HSLJ

(Escherichia
coli) 		PF03724
(META) 		4 ALA A  64
GLY A  49
SER A  40
GLY A  41
 None
 0.87A 5e26C-2ktsA:
undetectable
5e26D-2ktsA:
undetectable		 5e26C-2ktsA:
15.89
5e26D-2ktsA:
15.89
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.
2lav VACCINIA-RELATED
KINASE 1

(Homo sapiens) 		PF00069
(Pkinase) 		4 VAL A  69
ALA A  54
GLY A  40
GLY A  63
 None
 0.89A 5e26C-2lavA:
undetectable
5e26D-2lavA:
undetectable		 5e26C-2lavA:
22.57
5e26D-2lavA:
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.
2o14 HYPOTHETICAL PROTEIN
YXIM

(Bacillus
subtilis) 		PF13472
(Lipase_GDSL_2) 		4 VAL A  82
GLU A 106
GLY A 130
GLY A  87
 None
 0.90A 5e26C-2o14A:
undetectable
5e26D-2o14A:
undetectable		 5e26C-2o14A:
23.75
5e26D-2o14A:
23.75
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.
2qjp CYTOCHROME C1

(Rhodobacter
sphaeroides) 		PF02167
(Cytochrom_C1) 		4 VAL B 134
ALA B 159
GLY B 180
GLY B 163
 None
 0.79A 5e26C-2qjpB:
undetectable
5e26D-2qjpB:
undetectable		 5e26C-2qjpB:
21.33
5e26D-2qjpB:
21.33
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.
2qy6 UPF0209 PROTEIN YFCK

(Escherichia
coli) 		PF05430
(Methyltransf_30) 		4 ALA A 228
GLY A 262
ARG A  71
GLY A 225
 None
 0.88A 5e26C-2qy6A:
undetectable
5e26D-2qy6A:
undetectable		 5e26C-2qy6A:
22.45
5e26D-2qy6A:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vpw HYPOTHETICAL
MEMBRANE SPANNING
PROTEIN

(Thermus
thermophilus) 		PF14589
(NrfD_2) 		4 VAL C  31
TYR C  52
ALA C 160
GLY C 162
 None
 0.62A 5e26C-2vpwC:
undetectable
5e26D-2vpwC:
undetectable		 5e26C-2vpwC:
21.78
5e26D-2vpwC:
21.78
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.
2y7c TYPE I RESTRICTION
ENZYME ECOKI M
PROTEIN
GENE 0.3 PROTEIN

(Escherichia
coli;
Escherichia
virus T7) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N)
PF08684
(ocr) 		4 VAL D  41
TYR D  82
ALA D  40
GLY B 319
 None
 0.90A 5e26C-2y7cD:
undetectable
5e26D-2y7cD:
undetectable		 5e26C-2y7cD:
15.34
5e26D-2y7cD:
15.34
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.
2y93 CIS-2,3-DIHYDROBIPHE
NYL-2,3-DIOL
DEHYDROGENASE

(Comamonas
testosteroni) 		PF00106
(adh_short) 		4 TYR A 232
ALA A  20
GLY A  16
GLY A  12
 None
 0.85A 5e26C-2y93A:
undetectable
5e26D-2y93A:
undetectable		 5e26C-2y93A:
22.55
5e26D-2y93A:
22.55
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.
2ygn WNT INHIBITORY
FACTOR 1

(Homo sapiens) 		PF02019
(WIF) 		4 VAL A 127
ALA A  93
GLY A  95
GLY A  34
 None
 0.89A 5e26C-2ygnA:
undetectable
5e26D-2ygnA:
undetectable		 5e26C-2ygnA:
20.29
5e26D-2ygnA:
20.29
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.
2zux YESW PROTEIN

(Bacillus
subtilis) 		no annotation 4 ALA A 426
GLY A 429
SER A 431
GLY A 443
 None
 0.83A 5e26C-2zuxA:
undetectable
5e26D-2zuxA:
undetectable		 5e26C-2zuxA:
20.57
5e26D-2zuxA:
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.
2zvb PRECORRIN-3
C17-METHYLTRANSFERAS
E

(Thermus
thermophilus) 		PF00590
(TP_methylase) 		4 VAL A  80
TYR A  37
GLY A 130
GLY A  16
 None
 0.76A 5e26C-2zvbA:
undetectable
5e26D-2zvbA:
1.5		 5e26C-2zvbA:
24.28
5e26D-2zvbA:
24.28
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.
2zzr UNSATURATED
GLUCURONYL HYDROLASE

(Streptococcus
agalactiae) 		PF07470
(Glyco_hydro_88) 		4 ALA A  55
GLY A 375
SER A 306
GLY A 379
 None
 0.90A 5e26C-2zzrA:
undetectable
5e26D-2zzrA:
undetectable		 5e26C-2zzrA:
21.88
5e26D-2zzrA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a2q 6-AMINOHEXANOATE-CYC
LIC-DIMER HYDROLASE

(Arthrobacter
sp. KI72) 		PF01425
(Amidase) 		4 ALA A 179
GLY A 155
SER A 151
GLY A 149
 None
 0.70A 5e26C-3a2qA:
undetectable
5e26D-3a2qA:
undetectable		 5e26C-3a2qA:
21.21
5e26D-3a2qA:
21.21
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.
3aar ECTONUCLEOSIDE
TRIPHOSPHATE
DIPHOSPHOHYDROLASE I

(Legionella
pneumophila) 		PF01150
(GDA1_CD39) 		4 GLU A 159
GLY A 189
SER A 191
GLY A 228
 None
ANP  A   1 (-3.4A)
None
None
 0.84A 5e26C-3aarA:
5.5
5e26D-3aarA:
5.5		 5e26C-3aarA:
21.48
5e26D-3aarA:
21.48
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.
3be8 NEUROLIGIN-4,
X-LINKED

(Homo sapiens) 		PF00135
(COesterase) 		4 VAL A 496
GLY A 490
SER A 280
GLY A 254
 None
None
None
PO4  A 623 (-3.3A)
 0.87A 5e26C-3be8A:
3.3
5e26D-3be8A:
1.0		 5e26C-3be8A:
20.60
5e26D-3be8A:
20.60
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.
3fve DIAMINOPIMELATE
EPIMERASE

(Mycobacterium
tuberculosis) 		PF01678
(DAP_epimerase) 		4 VAL A 134
GLY A 270
SER A 272
GLY A   8
 None
None
None
DTT  A 290 (-3.6A)
 0.90A 5e26C-3fveA:
undetectable
5e26D-3fveA:
undetectable		 5e26C-3fveA:
20.05
5e26D-3fveA:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fw6 CELLULASE

(uncultured
bacterium) 		PF12891
(Glyco_hydro_44) 		4 VAL A 457
GLY A 453
SER A 475
GLY A 478
 None
 0.86A 5e26C-3fw6A:
undetectable
5e26D-3fw6A:
undetectable		 5e26C-3fw6A:
21.34
5e26D-3fw6A:
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.
3hsi PHOSPHATIDYLSERINE
SYNTHASE

(Haemophilus
influenzae) 		PF13091
(PLDc_2) 		4 ALA A 251
GLU A 261
GLY A 253
GLY A 248
 None
 0.75A 5e26C-3hsiA:
undetectable
5e26D-3hsiA:
undetectable		 5e26C-3hsiA:
23.19
5e26D-3hsiA:
23.19
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.
3htv D-ALLOSE KINASE

(Escherichia
coli) 		PF00480
(ROK) 		4 ALA A 137
GLU A 185
GLY A 144
GLY A 162
 None
 0.69A 5e26C-3htvA:
7.0
5e26D-3htvA:
7.0		 5e26C-3htvA:
23.04
5e26D-3htvA:
23.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ibx PUTATIVE THIAMINASE
II

(Helicobacter
pylori) 		PF03070
(TENA_THI-4) 		4 TYR A  51
ALA A  56
GLY A  58
GLY A 120
 None
 0.85A 5e26C-3ibxA:
undetectable
5e26D-3ibxA:
undetectable		 5e26C-3ibxA:
21.02
5e26D-3ibxA:
21.02
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.
3ifc FRUCTOSE-1,6-BISPHOS
PHATASE ISOZYME 2

(Homo sapiens) 		PF00316
(FBPase) 		4 ALA A 165
GLY A 133
ARG A  49
GLY A 168
 None
 0.74A 5e26C-3ifcA:
undetectable
5e26D-3ifcA:
undetectable		 5e26C-3ifcA:
23.00
5e26D-3ifcA:
23.00
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.
3lma STAGE V SPORULATION
PROTEIN AD (SPOVAD)

(Bacillus
licheniformis) 		PF07451
(SpoVAD) 		4 GLU A 115
GLY A 108
SER A 111
GLY A 308
 None
 0.90A 5e26C-3lmaA:
2.4
5e26D-3lmaA:
2.1		 5e26C-3lmaA:
22.86
5e26D-3lmaA:
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.
3n2o BIOSYNTHETIC
ARGININE
DECARBOXYLASE

(Vibrio
vulnificus) 		PF02784
(Orn_Arg_deC_N) 		4 ALA A 297
GLY A 295
SER A 344
GLY A 345
 None
PLP  A1001 (-3.4A)
None
PLP  A1001 (-3.3A)
 0.80A 5e26C-3n2oA:
3.3
5e26D-3n2oA:
2.3		 5e26C-3n2oA:
21.05
5e26D-3n2oA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o07 PYRIDOXINE
BIOSYNTHESIS PROTEIN
SNZ1

(Saccharomyces
cerevisiae) 		PF01680
(SOR_SNZ) 		4 VAL A 160
ALA A 159
GLY A 213
GLY A 154
 None
 0.91A 5e26C-3o07A:
undetectable
5e26D-3o07A:
undetectable		 5e26C-3o07A:
21.52
5e26D-3o07A:
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.
3qj4 RENALASE

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF13450
(NAD_binding_8) 		4 VAL A 293
GLY A 326
SER A 330
GLY A 302
 None
 0.91A 5e26C-3qj4A:
undetectable
5e26D-3qj4A:
undetectable		 5e26C-3qj4A:
21.45
5e26D-3qj4A:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qpd CUTINASE 1

(Aspergillus
oryzae) 		PF01083
(Cutinase) 		4 TYR A 197
ALA A  47
GLY A 128
GLY A 123
 None
SEP  A 126 ( 3.9A)
SEP  A 126 ( 3.8A)
None
 0.91A 5e26C-3qpdA:
2.4
5e26D-3qpdA:
undetectable		 5e26C-3qpdA:
19.72
5e26D-3qpdA:
19.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t94 5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE
(MTAP)

(Sulfolobus
solfataricus) 		PF01048
(PNP_UDP_1) 		4 VAL A  93
ALA A  92
GLY A  15
SER A  89
 None
SO4  A 902 ( 3.8A)
SO4  A 902 (-3.3A)
None
 0.81A 5e26C-3t94A:
undetectable
5e26D-3t94A:
undetectable		 5e26C-3t94A:
21.05
5e26D-3t94A:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v4p INTEGRIN ALPHA-4

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		4 ALA A 167
GLY A 181
SER A 191
GLY A 190
 None
 0.81A 5e26C-3v4pA:
undetectable
5e26D-3v4pA:
undetectable		 5e26C-3v4pA:
20.33
5e26D-3v4pA:
20.33
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.
4crn ERF3 IN RIBOSOME
BOUND
ERF1-ERF3-GDPNP
COMPLEX

(Saccharomyces
cerevisiae) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		4 VAL P 504
GLU P 559
GLY P 501
GLY P 556
 None
 0.65A 5e26C-4crnP:
undetectable
5e26D-4crnP:
undetectable		 5e26C-4crnP:
20.78
5e26D-4crnP:
20.78
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.
4ee9 ENDOGLUCANASE

(uncultured
bacterium) 		PF00150
(Cellulase) 		4 ALA A 206
GLU A 135
GLY A 208
GLY A 247
 None
TRS  A 401 (-2.9A)
None
None
 0.86A 5e26C-4ee9A:
undetectable
5e26D-4ee9A:
undetectable		 5e26C-4ee9A:
22.96
5e26D-4ee9A:
22.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f92 U5 SMALL NUCLEAR
RIBONUCLEOPROTEIN
200 KDA HELICASE

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		4 VAL B 917
ALA B 916
ARG B 406
GLY B 977
 None
 0.89A 5e26C-4f92B:
undetectable
5e26D-4f92B:
undetectable		 5e26C-4f92B:
12.66
5e26D-4f92B:
12.66
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.
4i0w PROTEASE CSPB

(Clostridium
perfringens) 		PF00082
(Peptidase_S8) 		4 ALA B 191
GLY B 189
ARG B 144
GLY B 194
 None
 0.73A 5e26C-4i0wB:
undetectable
5e26D-4i0wB:
undetectable		 5e26C-4i0wB:
23.89
5e26D-4i0wB:
23.89
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.
4ktp GLYCOSIDE HYDROLASE
FAMILY 65 CENTRAL
CATALYTIC

([Bacillus]
selenitireducens) 		PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N) 		4 ALA A  79
GLY A 160
SER A 221
GLY A 220
 None
 0.81A 5e26C-4ktpA:
undetectable
5e26D-4ktpA:
undetectable		 5e26C-4ktpA:
18.25
5e26D-4ktpA:
18.25
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.
4nnb OBCA, OXALATE
BIOSYNTHETIC
COMPONENT A

(Burkholderia
glumae) 		PF05853
(BKACE) 		4 VAL A 221
ALA A   8
GLY A 471
GLY A 492
 None
 0.91A 5e26C-4nnbA:
2.2
5e26D-4nnbA:
undetectable		 5e26C-4nnbA:
21.04
5e26D-4nnbA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nx1 C4-DICARBOXYLATE
TRANSPORT SYSTEM
SUBSTRATE-BINDING
PROTEIN

(Sulfitobacter
sp. NAS-14.1) 		PF03480
(DctP) 		4 ALA A 269
GLY A 271
SER A 276
GLY A 150
 None
 0.86A 5e26C-4nx1A:
undetectable
5e26D-4nx1A:
undetectable		 5e26C-4nx1A:
22.39
5e26D-4nx1A:
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.
4nzs BETA-KETOTHIOLASE
BKTB

(Cupriavidus
necator) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		4 VAL A  34
ALA A 257
GLY A 114
GLY A  55
 None
 0.83A 5e26C-4nzsA:
undetectable
5e26D-4nzsA:
undetectable		 5e26C-4nzsA:
20.86
5e26D-4nzsA:
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.
4nzs BETA-KETOTHIOLASE
BKTB

(Cupriavidus
necator) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		4 VAL A  34
ALA A 257
GLY A 114
GLY A  93
 None
 0.66A 5e26C-4nzsA:
undetectable
5e26D-4nzsA:
undetectable		 5e26C-4nzsA:
20.86
5e26D-4nzsA:
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.
4rvw ZNUD

(Neisseria
meningitidis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 VAL A 193
ALA A 192
GLY A 159
GLY A 189
 None
 0.91A 5e26C-4rvwA:
undetectable
5e26D-4rvwA:
undetectable		 5e26C-4rvwA:
19.65
5e26D-4rvwA:
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.
4rz2 SITE-DETERMINING
PROTEIN

(Geobacillus
thermodenitrificans) 		PF10609
(ParA) 		4 GLU A 165
GLY A  32
ARG A 194
GLY A  35
 None
 0.68A 5e26C-4rz2A:
3.7
5e26D-4rz2A:
3.9		 5e26C-4rz2A:
21.43
5e26D-4rz2A:
21.43
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.
4upk PHOSPHONATE
MONOESTER HYDROLASE

(Ruegeria
pomeroyi) 		PF00884
(Sulfatase) 		4 TYR A 335
GLY A 330
SER A 328
GLY A 324
 None
 0.78A 5e26C-4upkA:
undetectable
5e26D-4upkA:
undetectable		 5e26C-4upkA:
20.58
5e26D-4upkA:
20.58
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.
4xw3 ATP-DEPENDENT RNA
HELICASE DDX1

(Homo sapiens) 		PF00622
(SPRY) 		4 VAL A 232
GLY A 148
SER A 150
GLY A 164
 None
 0.67A 5e26C-4xw3A:
undetectable
5e26D-4xw3A:
undetectable		 5e26C-4xw3A:
21.05
5e26D-4xw3A:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y0b DOUBLE CLP-N MOTIF
PROTEIN

(Arabidopsis
thaliana) 		PF02861
(Clp_N) 		4 VAL A 126
GLY A 122
SER A  93
GLY A 117
 None
 0.79A 5e26C-4y0bA:
undetectable
5e26D-4y0bA:
undetectable		 5e26C-4y0bA:
21.85
5e26D-4y0bA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yfa PROTEIN RELATED TO
PENICILLIN ACYLASE
PROTEIN RELATED TO
PENICILLIN ACYLASE

(Acidovorax sp.
MR-S7;
Acidovorax sp.
MR-S7) 		PF01804
(Penicil_amidase)
PF01804
(Penicil_amidase) 		4 ALA A 118
GLU C 573
GLY A 116
GLY A  38
 None
 0.91A 5e26C-4yfaA:
undetectable
5e26D-4yfaA:
undetectable		 5e26C-4yfaA:
19.36
5e26D-4yfaA:
19.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E

(Rattus
norvegicus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		4 TYR A 392
ALA A 459
GLY A 457
GLY A 501
 NAI  A3005 (-4.5A)
NAI  A3005 (-4.8A)
NAI  A3005 (-3.3A)
NAI  A3005 (-3.3A)
 0.67A 5e26C-4yswA:
undetectable
5e26D-4yswA:
undetectable		 5e26C-4yswA:
14.13
5e26D-4yswA:
14.13
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.
4zy7 UNCHARACTERIZED
PROTEIN MSMEG_5817

(Mycolicibacterium
smegmatis) 		no annotation 4 ALA A  51
GLY A  53
ARG A 113
GLY A  71
 None
 0.90A 5e26C-4zy7A:
undetectable
5e26D-4zy7A:
undetectable		 5e26C-4zy7A:
16.48
5e26D-4zy7A:
16.48
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.
5bz3 NA(+)/H(+)
ANTIPORTER

(Thermus
thermophilus) 		PF00999
(Na_H_Exchanger) 		4 ALA A 274
GLU A  57
GLY A 277
GLY A  43
 None
7E8  A 401 ( 4.1A)
None
None
 0.85A 5e26C-5bz3A:
undetectable
5e26D-5bz3A:
undetectable		 5e26C-5bz3A:
22.84
5e26D-5bz3A:
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.
5c2v HYDRAZINE SYNTHASE
ALPHA SUBUNIT
HYDRAZINE SYNTHASE
BETA SUBUNIT

(Candidatus
Kuenenia
stuttgartiensis;
Candidatus
Kuenenia
stuttgartiensis) 		no annotation
PF02239
(Cytochrom_D1) 		4 TYR A 300
GLU A 306
GLY A 593
GLY B 340
 None
 0.79A 5e26C-5c2vA:
undetectable
5e26D-5c2vA:
undetectable		 5e26C-5c2vA:
19.27
5e26D-5c2vA:
19.27
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.
5djq CBB3-TYPE CYTOCHROME
C OXIDASE SUBUNIT
CCON1
CBB3-TYPE CYTOCHROME
C OXIDASE SUBUNIT II

(Pseudomonas
stutzeri;
Pseudomonas
stutzeri) 		PF00115
(COX1)
PF02433
(FixO) 		4 TYR A 123
GLY B  67
SER B 102
GLY B 101
 HEM  A 502 ( 4.7A)
None
CA  A 507 ( 2.0A)
None
 0.87A 5e26C-5djqA:
undetectable
5e26D-5djqA:
undetectable		 5e26C-5djqA:
23.93
5e26D-5djqA:
23.93
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.
5dm6 50S RIBOSOMAL
PROTEIN L16

(Deinococcus
radiodurans) 		PF00252
(Ribosomal_L16) 		4 VAL J 137
GLU J 106
GLY J  25
GLY J 101
 None
None
U  X 907 ( 2.9A)
None
 0.83A 5e26C-5dm6J:
undetectable
5e26D-5dm6J:
undetectable		 5e26C-5dm6J:
15.57
5e26D-5dm6J:
15.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e26 PANTOTHENATE KINASE
2, MITOCHONDRIAL

(Homo sapiens) 		PF03630
(Fumble) 		5 GLU A 338
GLY A 393
SER A 395
ARG A 407
GLY A 410
 PAU  A 602 (-2.7A)
PAU  A 602 (-3.3A)
PAU  A 602 (-3.1A)
PAU  A 602 (-3.3A)
PAU  A 602 (-3.3A)
 0.12A 5e26C-5e26A:
56.3
5e26D-5e26A:
56.0		 5e26C-5e26A:
100.00
5e26D-5e26A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e3c DIPEPTIDYL PEPTIDASE
3

(Homo sapiens) 		PF03571
(Peptidase_M49) 		4 ALA A 451
GLU A 508
GLY A 454
GLY A 515
 None
ZN  A 801 (-2.2A)
None
None
 0.82A 5e26C-5e3cA:
undetectable
5e26D-5e3cA:
undetectable		 5e26C-5e3cA:
21.25
5e26D-5e3cA:
21.25
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.
5elz TYPE II PANTOTHENATE
KINASE

(Staphylococcus
aureus) 		PF03630
(Fumble) 		5 GLU A  70
GLY A 100
SER A 102
ARG A 113
GLY A 116
 3V9  A 303 (-3.2A)
3V9  A 303 (-3.3A)
3V9  A 303 (-3.8A)
3V9  A 303 (-3.3A)
3V9  A 303 (-3.2A)
 0.46A 5e26C-5elzA:
29.8
5e26D-5elzA:
29.9		 5e26C-5elzA:
26.26
5e26D-5elzA:
26.26
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.
5ep8 PYRIMIDINE-NUCLEOSID
E PHOSPHORYLASE

(Bacillus
subtilis) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		4 VAL A 407
ALA A 357
GLY A 355
GLY A 364
 VAL  A 407 ( 0.6A)
ALA  A 357 ( 0.0A)
GLY  A 355 ( 0.0A)
GLY  A 364 ( 0.0A)
 0.85A 5e26C-5ep8A:
undetectable
5e26D-5ep8A:
undetectable		 5e26C-5ep8A:
23.17
5e26D-5ep8A:
23.17
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.
5fyj GP120 ENV ECTODOMAIN

(Human
immunodeficiency
virus 1) 		PF00516
(GP120) 		4 VAL G 455
ALA G 471
GLY G 473
GLY G 367
 None
 0.75A 5e26C-5fyjG:
undetectable
5e26D-5fyjG:
undetectable		 5e26C-5fyjG:
21.33
5e26D-5fyjG:
21.33
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.
5gml GOLGI
REASSEMBLY-STACKING
PROTEIN 2

(Mus musculus) 		PF04495
(GRASP55_65) 		4 VAL A 112
GLY A 107
SER A  74
GLY A   0
 None
 0.67A 5e26C-5gmlA:
undetectable
5e26D-5gmlA:
undetectable		 5e26C-5gmlA:
19.52
5e26D-5gmlA:
19.52
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.
5i67 PHOSPHOENOLPYRUVATE
CARBOXYKINASE [GTP]

(Mycobacterium
tuberculosis) 		PF00821
(PEPCK_C)
PF17297
(PEPCK_N) 		4 ALA A 268
GLY A 417
SER A 273
GLY A 274
 None
None
None
GDP  A 701 (-3.2A)
 0.90A 5e26C-5i67A:
undetectable
5e26D-5i67A:
undetectable		 5e26C-5i67A:
22.24
5e26D-5i67A:
22.24
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.
5ikz OXALATE BIOSYNTHETIC
COMPONENT 1

(Burkholderia
thailandensis) 		PF05853
(BKACE) 		4 VAL A 224
ALA A   9
GLY A 475
GLY A 496
 None
 0.89A 5e26C-5ikzA:
3.1
5e26D-5ikzA:
undetectable		 5e26C-5ikzA:
14.58
5e26D-5ikzA:
14.58
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.
5jb3 30S RIBOSOMAL
PROTEIN S9

(Pyrococcus
abyssi) 		PF00380
(Ribosomal_S9) 		4 ALA K  77
GLY K   8
ARG K 113
GLY K 109
 None
None
G  21069 ( 3.7A)
None
 0.91A 5e26C-5jb3K:
undetectable
5e26D-5jb3K:
undetectable		 5e26C-5jb3K:
18.44
5e26D-5jb3K:
18.44
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.
5jwz CELLULOSE-BINDING
FAMILY II

(Streptomyces
sp. SirexAA-E) 		PF02012
(BNR) 		4 VAL A 654
ALA A 622
GLY A 631
SER A 645
 None
 0.78A 5e26C-5jwzA:
undetectable
5e26D-5jwzA:
undetectable		 5e26C-5jwzA:
19.54
5e26D-5jwzA:
19.54
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.
5jxk ASP/GLU-SPECIFIC
DIPEPTIDYL-PEPTIDASE

(Porphyromonas
endodontalis) 		PF10459
(Peptidase_S46) 		4 TYR A  88
ALA A 203
GLY A 105
SER A 206
 None
 0.91A 5e26C-5jxkA:
undetectable
5e26D-5jxkA:
undetectable		 5e26C-5jxkA:
19.57
5e26D-5jxkA:
19.57
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.
5kjo ENDOGLUCANASE V-LIKE
PROTEIN

(Phanerochaete
chrysosporium) 		no annotation 4 ALA A  30
GLU A 162
GLY A 150
GLY A  27
 None
 0.84A 5e26C-5kjoA:
undetectable
5e26D-5kjoA:
undetectable		 5e26C-5kjoA:
16.94
5e26D-5kjoA:
16.94
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.
5kvp ZOOCIN A
ENDOPEPTIDASE

(Streptococcus
equi) 		PF01551
(Peptidase_M23) 		4 VAL A  75
ALA A  74
GLY A  72
GLY A 111
 None
 0.83A 5e26C-5kvpA:
undetectable
5e26D-5kvpA:
undetectable		 5e26C-5kvpA:
16.19
5e26D-5kvpA:
16.19
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.
5tky PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		PF00012
(HSP70) 		4 ALA A 416
GLY A 407
SER A 405
GLY A 450
 None
 0.84A 5e26C-5tkyA:
13.0
5e26D-5tkyA:
13.0		 5e26C-5tkyA:
21.95
5e26D-5tkyA:
21.95
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.
5tr1 CHLORIDE CHANNEL
PROTEIN

(Bos taurus) 		PF00654
(Voltage_CLC) 		4 VAL A 220
ALA A 206
GLY A 204
GLY A  57
 None
 0.85A 5e26C-5tr1A:
undetectable
5e26D-5tr1A:
undetectable		 5e26C-5tr1A:
20.21
5e26D-5tr1A:
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.
5uyg PERIPLASMIC CHELATED
IRON-BINDING PROTEIN
YFEA

(Yersinia pestis) 		PF01297
(ZnuA) 		4 VAL A 241
TYR A 223
GLU A 131
GLY A 233
 None
 0.81A 5e26C-5uygA:
undetectable
5e26D-5uygA:
undetectable		 5e26C-5uygA:
20.61
5e26D-5uygA:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vxz GROWTH
ARREST-SPECIFIC
PROTEIN 6

(Homo sapiens) 		PF00054
(Laminin_G_1)
PF02210
(Laminin_G_2) 		4 VAL A 306
TYR A 296
GLY A 303
GLY A 332
 None
None
None
CA  A 703 ( 4.7A)
 0.83A 5e26C-5vxzA:
undetectable
5e26D-5vxzA:
undetectable		 5e26C-5vxzA:
21.18
5e26D-5vxzA:
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.
5w8q BIS3 BIPHENYL
SYNTHASE

(Malus domestica) 		no annotation 4 VAL A 249
TYR A 260
GLY A 302
GLY A 335
 None
 0.83A 5e26C-5w8qA:
undetectable
5e26D-5w8qA:
undetectable		 5e26C-5w8qA:
undetectable
5e26D-5w8qA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wue UNCHARACTERIZED
PROTEIN

(Sulfolobus
acidocaldarius) 		PF03458
(UPF0126) 		4 ALA A 107
GLY A 110
SER A  53
GLY A  50
 None
 0.86A 5e26C-5wueA:
undetectable
5e26D-5wueA:
undetectable		 5e26C-5wueA:
21.98
5e26D-5wueA:
21.98
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.
5xeq NEUROLIGIN-2

(Homo sapiens) 		PF00135
(COesterase) 		4 VAL A 507
GLY A 501
SER A 291
GLY A 265
 None
 0.85A 5e26C-5xeqA:
undetectable
5e26D-5xeqA:
undetectable		 5e26C-5xeqA:
20.86
5e26D-5xeqA:
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.
5xmj FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT

(Desulfovibrio
gigas) 		no annotation 4 GLU A 394
SER A 410
ARG A 405
GLY A 408
 FAD  A 701 (-4.2A)
FAD  A 701 (-3.5A)
FUM  A 702 ( 3.0A)
FAD  A 701 ( 3.4A)
 0.76A 5e26C-5xmjA:
undetectable
5e26D-5xmjA:
undetectable		 5e26C-5xmjA:
undetectable
5e26D-5xmjA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xs9 TETR FAMILY
TRANSCRIPTIONAL
REGULATOR

(Mycolicibacterium
smegmatis) 		no annotation 4 ALA A 101
GLY A 103
SER A 105
GLY A  52
 None
 0.91A 5e26C-5xs9A:
undetectable
5e26D-5xs9A:
undetectable		 5e26C-5xs9A:
undetectable
5e26D-5xs9A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6apj ALPHA-N-ACETYLGALACT
OSAMINIDE
ALPHA-2,6-SIALYLTRAN
SFERASE 2

(Homo sapiens) 		no annotation 4 VAL A 182
TYR A 211
GLY A 155
GLY A 158
 None
 0.88A 5e26C-6apjA:
undetectable
5e26D-6apjA:
undetectable		 5e26C-6apjA:
undetectable
5e26D-6apjA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bzh PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX58

(Mus musculus) 		no annotation 4 TYR A  24
ALA A  53
GLY A  49
ARG A 161
 None
 0.72A 5e26C-6bzhA:
undetectable
5e26D-6bzhA:
undetectable		 5e26C-6bzhA:
undetectable
5e26D-6bzhA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c62 BIURET HYDROLASE

(Pseudomonas sp.
ADP) 		no annotation 4 ALA A 179
GLY A 155
SER A 151
GLY A 149
 None
 0.69A 5e26C-6c62A:
undetectable
5e26D-6c62A:
undetectable		 5e26C-6c62A:
undetectable
5e26D-6c62A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6dnh PRE-MRNA 3' END
PROCESSING PROTEIN
WDR33

(Homo sapiens) 		no annotation 4 ALA B 334
GLY B 350
SER B 355
GLY B 354
 None
 0.84A 5e26C-6dnhB:
undetectable
5e26D-6dnhB:
undetectable		 5e26C-6dnhB:
undetectable
5e26D-6dnhB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f0k POLYSULPHIDE
REDUCTASE NRFD

(Rhodothermus
marinus) 		no annotation 4 VAL C 319
ALA C 273
ARG C 395
GLY C  94
 None
 0.79A 5e26C-6f0kC:
undetectable
5e26D-6f0kC:
undetectable		 5e26C-6f0kC:
undetectable
5e26D-6f0kC:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fn1 HUMAN-MOUSE CHIMERIC
ABCB1 (ABCBHM)

(Homo sapiens) 		no annotation 4 ALA A 301
GLY A 299
SER A 765
GLY A 762
 None
 0.84A 5e26C-6fn1A:
undetectable
5e26D-6fn1A:
undetectable		 5e26C-6fn1A:
undetectable
5e26D-6fn1A:
undetectable