SIMILAR PATTERNS OF AMINO ACIDS FOR 3U9F_D_CLMD221_0

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.
1gng GLYCOGEN SYNTHASE
KINASE-3 BETA

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A 247
PHE A 339
VAL A 158
PHE A 305
CYH A 317
 None
 1.43A 3u9fD-1gngA:
0.0
3u9fE-1gngA:
0.0		 3u9fD-1gngA:
16.62
3u9fE-1gngA:
16.62
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.
1gng GLYCOGEN SYNTHASE
KINASE-3 BETA

(Homo sapiens) 		PF00069
(Pkinase) 		5 THR A 152
LEU A 247
PHE A 339
VAL A 158
CYH A 317
 None
 1.40A 3u9fD-1gngA:
0.0
3u9fE-1gngA:
0.0		 3u9fD-1gngA:
16.62
3u9fE-1gngA:
16.62
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.
1lnl HEMOCYANIN

(Rapana venosa) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 PHE A 219
TYR A 170
LEU A 247
VAL A  60
PHE A 272
 None
 1.22A 3u9fD-1lnlA:
0.0
3u9fE-1lnlA:
0.0		 3u9fD-1lnlA:
19.21
3u9fE-1lnlA:
19.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lrh AUXIN-BINDING
PROTEIN 1

(Zea mays) 		PF02041
(Auxin_BP) 		5 THR A  54
VAL A 121
ALA A 128
CYH A  61
HIS A  59
 NLA  A5190 (-4.2A)
None
None
None
ZN  A 180 ( 3.5A)
 1.30A 3u9fD-1lrhA:
0.0
3u9fE-1lrhA:
0.0		 3u9fD-1lrhA:
18.92
3u9fE-1lrhA:
18.92
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.
1m54 CYSTATHIONINE
BETA-SYNTHASE

(Homo sapiens) 		PF00291
(PALP) 		5 SER A 326
SER A 254
LEU A 374
ALA A 335
CYH A 346
 None
PLP  A1110 ( 4.3A)
None
None
None
 1.12A 3u9fD-1m54A:
0.2
3u9fE-1m54A:
0.0		 3u9fD-1m54A:
19.73
3u9fE-1m54A:
19.73
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.
1m54 CYSTATHIONINE
BETA-SYNTHASE

(Homo sapiens) 		PF00291
(PALP) 		5 SER A 326
SER A 254
LEU A 374
VAL A 372
CYH A 346
 None
PLP  A1110 ( 4.3A)
None
None
None
 1.11A 3u9fD-1m54A:
0.2
3u9fE-1m54A:
0.0		 3u9fD-1m54A:
19.73
3u9fE-1m54A:
19.73
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.
1o9g RRNA
METHYLTRANSFERASE

(Streptomyces
viridochromogenes) 		PF11599
(AviRa) 		5 THR A 213
SER A 236
LEU A 197
VAL A 193
ALA A 226
 None
 1.45A 3u9fD-1o9gA:
2.0
3u9fE-1o9gA:
1.8		 3u9fD-1o9gA:
20.08
3u9fE-1o9gA:
20.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pd5 CHLORAMPHENICOL
ACETYLTRANSFERASE

(Escherichia
coli) 		PF00302
(CAT) 		8 THR A  93
PHE A 102
SER A 104
TYR A 133
SER A 146
LEU A 158
PHE A 166
VAL A 170
 None
 0.59A 3u9fD-1pd5A:
34.4
3u9fE-1pd5A:
33.9		 3u9fD-1pd5A:
100.00
3u9fE-1pd5A:
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.
1thg LIPASE 2

(Galactomyces
candidus) 		PF00135
(COesterase) 		5 PHE A 358
LEU A 467
VAL A 134
ALA A 218
HIS A 463
 None
 1.45A 3u9fD-1thgA:
0.0
3u9fE-1thgA:
0.0		 3u9fD-1thgA:
17.57
3u9fE-1thgA:
17.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tki TITIN

(Homo sapiens) 		PF00069
(Pkinase) 		5 SER A 205
LEU A 171
PHE A 177
VAL A 197
HIS A 136
 None
 1.41A 3u9fD-1tkiA:
0.0
3u9fE-1tkiA:
0.0		 3u9fD-1tkiA:
19.81
3u9fE-1tkiA:
19.81
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.
1u08 HYPOTHETICAL
AMINOTRANSFERASE
YBDL

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		5 THR A 171
SER A 201
LEU A 224
VAL A 199
ALA A 187
 None
 1.27A 3u9fD-1u08A:
0.0
3u9fE-1u08A:
0.0		 3u9fD-1u08A:
20.78
3u9fE-1u08A:
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.
2fl1 RED FLUORESCENT
PROTEIN ZOANRFP

(Zoanthus sp.) 		PF01353
(GFP) 		5 THR A 142
SER A  57
PHE A  99
ALA A 103
CYH A 105
 None
SO4  A 552 ( 4.6A)
None
None
None
 1.29A 3u9fD-2fl1A:
undetectable
3u9fE-2fl1A:
undetectable		 3u9fD-2fl1A:
18.40
3u9fE-2fl1A:
18.40
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.
2k3d LIN0334 PROTEIN

(Listeria
innocua) 		PF07252
(DUF1433) 		5 PHE A  80
PHE A  37
VAL A  35
PHE A  70
ALA A  63
 None
 1.41A 3u9fD-2k3dA:
undetectable
3u9fE-2k3dA:
undetectable		 3u9fD-2k3dA:
15.07
3u9fE-2k3dA:
15.07
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.
2oew PROGRAMMED CELL
DEATH 6-INTERACTING
PROTEIN

(Homo sapiens) 		PF03097
(BRO1) 		5 SER A 132
LEU A 237
VAL A 241
PHE A 125
ALA A  98
 None
 1.44A 3u9fD-2oewA:
undetectable
3u9fE-2oewA:
undetectable		 3u9fD-2oewA:
16.15
3u9fE-2oewA:
16.15
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.
2ogr FLUORESCENT PROTEIN
FP538

(Zoanthus sp.) 		PF01353
(GFP) 		5 THR A 142
SER A  57
PHE A  99
ALA A 103
CYH A 105
 None
 1.18A 3u9fD-2ogrA:
undetectable
3u9fE-2ogrA:
undetectable		 3u9fD-2ogrA:
20.86
3u9fE-2ogrA:
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.
2ogr FLUORESCENT PROTEIN
FP538

(Zoanthus sp.) 		PF01353
(GFP) 		5 THR A 142
TYR A 177
PHE A  99
ALA A 103
CYH A 105
 None
 1.08A 3u9fD-2ogrA:
undetectable
3u9fE-2ogrA:
undetectable		 3u9fD-2ogrA:
20.86
3u9fE-2ogrA:
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.
2q1w PUTATIVE NUCLEOTIDE
SUGAR EPIMERASE/
DEHYDRATASE

(Bordetella
bronchiseptica) 		PF01370
(Epimerase) 		5 THR A  76
PHE A 115
LEU A  21
VAL A   4
ALA A 214
 NAD  A 501 (-4.5A)
None
None
None
None
 1.14A 3u9fD-2q1wA:
undetectable
3u9fE-2q1wA:
undetectable		 3u9fD-2q1wA:
19.15
3u9fE-2q1wA:
19.15
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.
2r05 PROGRAMMED CELL
DEATH 6-INTERACTING
PROTEIN

(Homo sapiens) 		PF03097
(BRO1)
PF13949
(ALIX_LYPXL_bnd) 		5 SER A 132
LEU A 237
VAL A 241
PHE A 125
ALA A  98
 None
 1.42A 3u9fD-2r05A:
undetectable
3u9fE-2r05A:
undetectable		 3u9fD-2r05A:
14.59
3u9fE-2r05A:
14.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ra1 SURFACE LAYER
PROTEIN

(Geobacillus
stearothermophilus) 		PF13205
(Big_5) 		5 SER A 350
PHE A 275
VAL A 334
PHE A 279
ALA A 318
 None
 1.33A 3u9fD-2ra1A:
undetectable
3u9fE-2ra1A:
undetectable		 3u9fD-2ra1A:
20.19
3u9fE-2ra1A:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wk2 CHITINASE A

(Serratia
marcescens) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		5 THR A 303
PHE A 300
LEU A  53
VAL A  43
ALA A 234
 None
 0.96A 3u9fD-2wk2A:
undetectable
3u9fE-2wk2A:
undetectable		 3u9fD-2wk2A:
15.17
3u9fE-2wk2A:
15.17
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.
2wqd PHOSPHOENOLPYRUVATE-
PROTEIN
PHOSPHOTRANSFERASE

(Staphylococcus
aureus) 		PF00391
(PEP-utilizers)
PF02896
(PEP-utilizers_C)
PF05524
(PEP-utilisers_N) 		5 THR A 110
LEU A  82
VAL A 135
PHE A  45
ALA A  48
 None
 1.34A 3u9fD-2wqdA:
undetectable
3u9fE-2wqdA:
undetectable		 3u9fD-2wqdA:
18.15
3u9fE-2wqdA:
18.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yn9 POTASSIUM-TRANSPORTI
NG ATPASE ALPHA
CHAIN 1

(Sus scrofa) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF09040
(H-K_ATPase_N)
PF13246
(Cation_ATPase) 		5 THR A 426
PHE A 402
SER A 424
LEU A 473
PHE A 420
 None
 1.47A 3u9fD-2yn9A:
undetectable
3u9fE-2yn9A:
undetectable		 3u9fD-2yn9A:
11.98
3u9fE-2yn9A:
11.98
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.
2ywo PROBABLE
THIOL-DISULFIDE
ISOMERASE/THIOREDOXI
N

(Thermus
thermophilus) 		PF00578
(AhpC-TSA) 		5 SER A  11
LEU A  28
PHE A  40
VAL A  38
ALA A 111
 None
 1.38A 3u9fD-2ywoA:
undetectable
3u9fE-2ywoA:
undetectable		 3u9fD-2ywoA:
21.86
3u9fE-2ywoA:
21.86
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.
3e98 GAF DOMAIN OF
UNKNOWN FUNCTION

(Pseudomonas
aeruginosa) 		PF04340
(DUF484) 		5 PHE A 124
SER A 182
LEU A 147
VAL A 180
ALA A 143
 None
None
None
EDO  A 236 ( 4.8A)
None
 1.45A 3u9fD-3e98A:
undetectable
3u9fE-3e98A:
undetectable		 3u9fD-3e98A:
20.73
3u9fE-3e98A:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ff1 GLUCOSE-6-PHOSPHATE
ISOMERASE

(Staphylococcus
aureus) 		PF00342
(PGI) 		5 PHE A 320
LEU A   6
PHE A 394
VAL A 378
ALA A 249
 None
 1.31A 3u9fD-3ff1A:
undetectable
3u9fE-3ff1A:
undetectable		 3u9fD-3ff1A:
20.05
3u9fE-3ff1A:
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.
3g0i EPOXIDE HYDROLASE

(Aspergillus
niger) 		PF06441
(EHN) 		5 TYR A 251
LEU A 215
PHE A 196
PHE A 244
CYH A 350
 VPR  A   1 (-4.2A)
VPR  A   1 ( 4.4A)
VPR  A   1 (-4.3A)
VPR  A   1 ( 4.7A)
VPR  A   1 ( 4.4A)
 1.34A 3u9fD-3g0iA:
undetectable
3u9fE-3g0iA:
undetectable		 3u9fD-3g0iA:
19.89
3u9fE-3g0iA:
19.89
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.
3hbz PUTATIVE GLYCOSIDE
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF13201
(PCMD) 		5 THR A 332
TYR A 261
LEU A 216
PHE A 221
ALA A 279
 None
 1.37A 3u9fD-3hbzA:
undetectable
3u9fE-3hbzA:
undetectable		 3u9fD-3hbzA:
21.71
3u9fE-3hbzA:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lp8 PHOSPHORIBOSYLAMINE-
GLYCINE LIGASE

(Ehrlichia
chaffeensis) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 THR A 311
PHE A  90
LEU A 300
VAL A 321
PHE A 288
 None
 1.08A 3u9fD-3lp8A:
undetectable
3u9fE-3lp8A:
undetectable		 3u9fD-3lp8A:
17.42
3u9fE-3lp8A:
17.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m1a PUTATIVE
DEHYDROGENASE

(Streptomyces
avermitilis) 		PF00106
(adh_short) 		5 THR A 241
LEU A 247
PHE A  17
VAL A 179
ALA A 230
 None
 1.43A 3u9fD-3m1aA:
undetectable
3u9fE-3m1aA:
undetectable		 3u9fD-3m1aA:
19.06
3u9fE-3m1aA:
19.06
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.
3mc2 INHIBITOR OF
CARBONIC ANHYDRASE

(Mus musculus) 		PF00405
(Transferrin) 		5 THR A 375
SER A 592
LEU A 604
PHE A 633
VAL A 590
 None
 1.06A 3u9fD-3mc2A:
undetectable
3u9fE-3mc2A:
undetectable		 3u9fD-3mc2A:
14.91
3u9fE-3mc2A:
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.
3o82 PEPTIDE ARYLATION
ENZYME

(Acinetobacter
baumannii) 		PF00501
(AMP-binding) 		5 PHE A 272
LEU A 310
PHE A 317
VAL A 325
ALA A 289
 None
 1.19A 3u9fD-3o82A:
undetectable
3u9fE-3o82A:
undetectable		 3u9fD-3o82A:
17.72
3u9fE-3o82A:
17.72
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.
3obv PROTEIN DIAPHANOUS
HOMOLOG 1

(Mus musculus) 		PF02181
(FH2)
PF06345
(Drf_DAD) 		5 PHE E1124
LEU E 962
VAL E 966
ALA E1007
CYH E1010
 None
 1.15A 3u9fD-3obvE:
undetectable
3u9fE-3obvE:
undetectable		 3u9fD-3obvE:
19.05
3u9fE-3obvE:
19.05
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.
3p3l CYTOCHROME P450

(Streptomyces
thioluteus) 		PF00067
(p450) 		5 THR A  20
PHE A  19
LEU A 179
VAL A  75
PHE A 316
 None
 1.48A 3u9fD-3p3lA:
undetectable
3u9fE-3p3lA:
undetectable		 3u9fD-3p3lA:
20.29
3u9fE-3p3lA:
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.
3r7w GTP-BINDING PROTEIN
GTR2

(Saccharomyces
cerevisiae) 		PF04670
(Gtr1_RagA) 		5 PHE B 208
SER B 232
TYR B 228
SER B 212
VAL B  29
 None
 1.39A 3u9fD-3r7wB:
undetectable
3u9fE-3r7wB:
undetectable		 3u9fD-3r7wB:
19.70
3u9fE-3r7wB:
19.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rmh YEAST CDC13 OB4

([Candida]
glabrata) 		no annotation 5 PHE A 696
LEU A 706
VAL A 655
PHE A 685
CYH A 726
 None
 1.24A 3u9fD-3rmhA:
undetectable
3u9fE-3rmhA:
undetectable		 3u9fD-3rmhA:
20.56
3u9fE-3rmhA:
20.56
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.
3skd PUTATIVE
UNCHARACTERIZED
PROTEIN TTHB187

(Thermus
thermophilus) 		no annotation 5 LEU A 237
PHE A 203
VAL A  35
PHE A 214
ALA A 208
 None
 1.39A 3u9fD-3skdA:
undetectable
3u9fE-3skdA:
undetectable		 3u9fD-3skdA:
21.77
3u9fE-3skdA:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u9w LEUKOTRIENE A-4
HYDROLASE

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		5 TYR A1156
SER A1133
LEU A1034
PHE A1106
CYH A1025
 None
 1.46A 3u9fD-3u9wA:
undetectable
3u9fE-3u9wA:
undetectable		 3u9fD-3u9wA:
14.48
3u9fE-3u9wA:
14.48
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.
4eys MCCC FAMILY PROTEIN

(Streptococcus
pneumoniae) 		PF02016
(Peptidase_S66) 		5 LEU A 280
PHE A 201
VAL A 308
PHE A 339
ALA A 328
 None
 1.33A 3u9fD-4eysA:
undetectable
3u9fE-4eysA:
undetectable		 3u9fD-4eysA:
21.19
3u9fE-4eysA:
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.
4eyu LYSINE-SPECIFIC
DEMETHYLASE 6B

(Mus musculus) 		PF02373
(JmjC) 		5 SER A1398
PHE A1454
VAL A1462
ALA A1412
HIS A1390
 OGA  A1700 (-2.8A)
None
None
None
NI  A1701 ( 3.3A)
 1.35A 3u9fD-4eyuA:
undetectable
3u9fE-4eyuA:
undetectable		 3u9fD-4eyuA:
16.46
3u9fE-4eyuA:
16.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jg2 PHAGE-RELATED
PROTEIN

(Bacillus cereus) 		PF10991
(DUF2815) 		5 THR A  15
LEU A  81
PHE A 135
VAL A  99
ALA A  51
 None
 1.21A 3u9fD-4jg2A:
undetectable
3u9fE-4jg2A:
undetectable		 3u9fD-4jg2A:
21.10
3u9fE-4jg2A:
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.
4kg7 PEPTIDASE S8 AND
S53, SUBTILISIN,
KEXIN, SEDOLISIN

(Mycolicibacterium
smegmatis) 		PF00082
(Peptidase_S8) 		5 PHE A 143
SER A 314
LEU A 152
VAL A  98
ALA A 345
 None
 1.25A 3u9fD-4kg7A:
undetectable
3u9fE-4kg7A:
undetectable		 3u9fD-4kg7A:
21.16
3u9fE-4kg7A:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l27 CYSTATHIONINE
BETA-SYNTHASE

(Homo sapiens) 		no annotation 5 SER B 254
LEU B 374
VAL B 372
ALA B 335
CYH B 346
 PLP  B 601 ( 3.9A)
None
None
None
None
 1.35A 3u9fD-4l27B:
undetectable
3u9fE-4l27B:
undetectable		 3u9fD-4l27B:
16.33
3u9fE-4l27B:
16.33
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.
4lg6 ANKYRIN REPEAT
FAMILY A PROTEIN 2

(Homo sapiens) 		PF12796
(Ank_2) 		5 SER A 270
LEU A 219
VAL A 241
ALA A 255
CYH A 223
 None
 1.25A 3u9fD-4lg6A:
undetectable
3u9fE-4lg6A:
undetectable		 3u9fD-4lg6A:
22.17
3u9fE-4lg6A:
22.17
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.
4m5d RIBOSOMAL
RNA-PROCESSING
PROTEIN 7

(Saccharomyces
cerevisiae) 		PF12923
(RRP7) 		5 LEU B 141
PHE B  70
VAL B  16
PHE B 128
CYH B 137
 None
 1.48A 3u9fD-4m5dB:
undetectable
3u9fE-4m5dB:
undetectable		 3u9fD-4m5dB:
22.15
3u9fE-4m5dB:
22.15
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.
4mn0 BEROVIN

(Beroe
abyssicola) 		PF10591
(SPARC_Ca_bdg) 		5 PHE A 188
SER A 132
VAL A 136
PHE A 157
ALA A 156
 None
 1.28A 3u9fD-4mn0A:
undetectable
3u9fE-4mn0A:
undetectable		 3u9fD-4mn0A:
20.73
3u9fE-4mn0A:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p72 PHENYLALANINE--TRNA
LIGASE BETA SUBUNIT

(Pseudomonas
aeruginosa) 		PF01588
(tRNA_bind)
PF03147
(FDX-ACB)
PF03483
(B3_4)
PF03484
(B5) 		5 LEU A 206
VAL A 204
PHE A 337
ALA A 335
CYH A 212
 None
 1.21A 3u9fD-4p72A:
3.9
3u9fE-4p72A:
3.9		 3u9fD-4p72A:
13.31
3u9fE-4p72A:
13.31
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.
4per RIBONUCLEASE
INHIBITOR

(Gallus gallus) 		PF13516
(LRR_6) 		5 SER A 272
LEU A 320
VAL A 315
ALA A 327
CYH A 324
 None
 1.30A 3u9fD-4perA:
undetectable
3u9fE-4perA:
undetectable		 3u9fD-4perA:
16.96
3u9fE-4perA:
16.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pn0 MRNA-CAPPING ENZYME
SUBUNIT BETA

(Schizosaccharomyces
pombe) 		PF02940
(mRNA_triPase) 		5 THR A  57
LEU A  65
PHE A 263
VAL A 288
ALA A  81
 None
 1.40A 3u9fD-4pn0A:
undetectable
3u9fE-4pn0A:
undetectable		 3u9fD-4pn0A:
21.17
3u9fE-4pn0A:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uug AMINE TRANSAMINASE

(Aspergillus
fumigatus) 		PF01063
(Aminotran_4) 		5 THR A 238
SER A 241
VAL A 245
ALA A   2
HIS A 309
 PXG  A 401 (-3.5A)
None
None
None
FMT  A 403 (-3.8A)
 1.46A 3u9fD-4uugA:
undetectable
3u9fE-4uugA:
undetectable		 3u9fD-4uugA:
18.79
3u9fE-4uugA:
18.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xdt FAD:PROTEIN FMN
TRANSFERASE

(Treponema
pallidum) 		PF02424
(ApbE) 		5 SER A 322
LEU A 302
VAL A 308
ALA A 287
CYH A 290
 None
None
EDO  A 410 ( 4.3A)
MG  A 402 ( 4.8A)
None
 1.35A 3u9fD-4xdtA:
undetectable
3u9fE-4xdtA:
undetectable		 3u9fD-4xdtA:
19.12
3u9fE-4xdtA:
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.
4ye5 PEPTIDOGLYCAN
SYNTHETASE
PENICILLIN-BINDING
PROTEIN 3

(Bifidobacterium
adolescentis) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 TYR A 540
SER A 321
LEU A 373
VAL A 325
ALA A 503
 None
 1.42A 3u9fD-4ye5A:
undetectable
3u9fE-4ye5A:
undetectable		 3u9fD-4ye5A:
16.08
3u9fE-4ye5A:
16.08
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.
4ypt REPLICASE
POLYPROTEIN 1AB

(Murine
coronavirus) 		PF08715
(Viral_protease) 		5 THR A1814
LEU A1790
VAL A1835
PHE A1840
CYH A1788
 None
 1.47A 3u9fD-4yptA:
undetectable
3u9fE-4yptA:
undetectable		 3u9fD-4yptA:
18.49
3u9fE-4yptA:
18.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ysl BETA-LACTAMASE
DOMAIN PROTEIN

(Pseudomonas
putida) 		PF00753
(Lactamase_B) 		5 THR A 146
SER A 155
LEU A 208
VAL A 166
ALA A 201
 None
 1.38A 3u9fD-4yslA:
undetectable
3u9fE-4yslA:
undetectable		 3u9fD-4yslA:
18.67
3u9fE-4yslA:
18.67
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.
5d7z LACTOYLGLUTATHIONE
LYASE

(Zea mays) 		PF00903
(Glyoxalase) 		5 THR A 231
TYR A 198
SER A 237
PHE A 171
VAL A 241
 None
 1.44A 3u9fD-5d7zA:
undetectable
3u9fE-5d7zA:
undetectable		 3u9fD-5d7zA:
21.07
3u9fE-5d7zA:
21.07
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.
5ey9 LONG-CHAIN-FATTY-ACI
D--AMP LIGASE FADD32

(Mycobacterium
marinum) 		PF00501
(AMP-binding) 		5 LEU A 615
VAL A 588
PHE A 518
ALA A 516
CYH A 606
 None
 1.34A 3u9fD-5ey9A:
undetectable
3u9fE-5ey9A:
undetectable		 3u9fD-5ey9A:
15.10
3u9fE-5ey9A:
15.10
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.
5fic SPHINGOMYELIN
PHOSPHODIESTERASE

(Mus musculus) 		PF00149
(Metallophos) 		5 SER A 197
PHE A 452
VAL A 199
ALA A 449
HIS A 507
 None
 1.14A 3u9fD-5ficA:
undetectable
3u9fE-5ficA:
undetectable		 3u9fD-5ficA:
17.51
3u9fE-5ficA:
17.51
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.
5gs0 TOLL-LIKE RECEPTOR 3

(Homo sapiens) 		PF13516
(LRR_6)
PF13855
(LRR_8) 		5 PHE A 333
SER A 332
SER A 389
LEU A 384
PHE A 351
 None
 1.40A 3u9fD-5gs0A:
undetectable
3u9fE-5gs0A:
undetectable		 3u9fD-5gs0A:
16.09
3u9fE-5gs0A:
16.09
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.
5hl4 RING-HYDROXYLATING
DIOXYGENASE

(Sinorhizobium
meliloti) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		5 SER A 303
LEU A 147
PHE A 308
PHE A 162
ALA A 166
 None
 1.47A 3u9fD-5hl4A:
1.6
3u9fE-5hl4A:
1.7		 3u9fD-5hl4A:
20.14
3u9fE-5hl4A:
20.14
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.
5hqn SPHINGOMYELIN
PHOSPHODIESTERASE

(Mus musculus) 		PF00149
(Metallophos) 		5 SER A 197
PHE A 452
VAL A 199
ALA A 449
HIS A 507
 None
 1.34A 3u9fD-5hqnA:
undetectable
3u9fE-5hqnA:
undetectable		 3u9fD-5hqnA:
17.07
3u9fE-5hqnA:
17.07
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.
5iai SUGAR ABC
TRANSPORTER

(Agrobacterium
tumefaciens) 		PF01547
(SBP_bac_1) 		5 THR A  97
PHE A 151
SER A  44
VAL A  70
PHE A 348
 None
 1.33A 3u9fD-5iaiA:
undetectable
3u9fE-5iaiA:
undetectable		 3u9fD-5iaiA:
19.29
3u9fE-5iaiA:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ijg CYS/MET METABOLISM
PYRIDOXAL-PHOSPHATE-
DEPENDENT ENZYME

(Brucella
melitensis) 		PF01053
(Cys_Met_Meta_PP) 		5 SER A 100
LEU A 234
PHE A 118
VAL A 260
PHE A 104
 None
 1.41A 3u9fD-5ijgA:
undetectable
3u9fE-5ijgA:
undetectable		 3u9fD-5ijgA:
17.95
3u9fE-5ijgA:
17.95
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.
5ipy FLAVIN-CONTAINING
MONOOXYGENASE

(Roseovarius
nubinhibens) 		PF00743
(FMO-like) 		5 SER A 440
LEU A 445
VAL A 102
ALA A  95
HIS A 430
 None
 1.24A 3u9fD-5ipyA:
undetectable
3u9fE-5ipyA:
undetectable		 3u9fD-5ipyA:
17.47
3u9fE-5ipyA:
17.47
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.
5j84 DIHYDROXY-ACID
DEHYDRATASE

(Rhizobium
leguminosarum) 		PF00920
(ILVD_EDD) 		5 SER A 350
SER A 221
LEU A 333
VAL A 358
ALA A 346
 None
 1.46A 3u9fD-5j84A:
undetectable
3u9fE-5j84A:
undetectable		 3u9fD-5j84A:
16.43
3u9fE-5j84A:
16.43
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.
5k1g 1-CYS PEROXIREDOXIN

(Vibrio
vulnificus) 		PF08534
(Redoxin) 		5 THR A 105
PHE A 104
SER A 122
VAL A  40
ALA A  72
 None
 1.47A 3u9fD-5k1gA:
undetectable
3u9fE-5k1gA:
undetectable		 3u9fD-5k1gA:
19.20
3u9fE-5k1gA:
19.20
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.
5kyo CYP101J2

(Sphingobium
yanoikuyae) 		PF00067
(p450) 		5 PHE A 290
LEU A 391
VAL A 401
ALA A 267
HIS A 265
 None
 1.47A 3u9fD-5kyoA:
undetectable
3u9fE-5kyoA:
undetectable		 3u9fD-5kyoA:
18.10
3u9fE-5kyoA:
18.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT

(Aromatoleum
aromaticum) 		PF02538
(Hydantoinase_B) 		5 LEU A 295
PHE A 317
VAL A 293
ALA A 370
CYH A 280
 None
 1.45A 3u9fD-5l9wA:
undetectable
3u9fE-5l9wA:
undetectable		 3u9fD-5l9wA:
14.14
3u9fE-5l9wA:
14.14
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.
5opt 40S RIBOSOMAL
PROTEIN S2, PUTATIVE

(Trypanosoma
cruzi) 		no annotation 5 PHE d 217
SER d 207
LEU d 195
VAL d 203
ALA d 224
 None
C  E   4 ( 3.4A)
None
None
None
 1.38A 3u9fD-5optd:
undetectable
3u9fE-5optd:
undetectable		 3u9fD-5optd:
20.33
3u9fE-5optd:
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.
5sy5 NEURONAL PAS
DOMAIN-CONTAINING
PROTEIN 1

(Mus musculus) 		PF00010
(HLH)
PF00989
(PAS)
PF08447
(PAS_3) 		5 THR B 315
SER B 338
TYR B 340
SER B 311
VAL B 399
 None
 1.34A 3u9fD-5sy5B:
undetectable
3u9fE-5sy5B:
undetectable		 3u9fD-5sy5B:
17.78
3u9fE-5sy5B:
17.78
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.
5w3f TUBULIN ALPHA-1
CHAIN

(Saccharomyces
cerevisiae) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		5 PHE A 256
SER A 166
LEU A 137
PHE A  53
VAL A   4
 None
 1.27A 3u9fD-5w3fA:
undetectable
3u9fE-5w3fA:
undetectable		 3u9fD-5w3fA:
19.09
3u9fE-5w3fA:
19.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yfb DIPEPTIDYL PEPTIDASE
3

(Armillaria
tabescens) 		no annotation 5 PHE A 399
LEU A 352
VAL A 507
PHE A 363
ALA A 345
 None
 1.08A 3u9fD-5yfbA:
undetectable
3u9fE-5yfbA:
undetectable		 3u9fD-5yfbA:
undetectable
3u9fE-5yfbA:
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.
5zl9 CHITINASE AB

(Serratia
marcescens) 		no annotation 5 THR A 133
PHE A 306
LEU A  53
VAL A  43
ALA A 234
 None
 1.36A 3u9fD-5zl9A:
undetectable
3u9fE-5zl9A:
undetectable		 3u9fD-5zl9A:
undetectable
3u9fE-5zl9A:
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.
6coy CHLORIDE CHANNEL
PROTEIN 1

(Homo sapiens) 		no annotation 5 THR A 539
SER A 537
TYR A 578
SER A 541
PHE A 279
 None
 1.35A 3u9fD-6coyA:
undetectable
3u9fE-6coyA:
undetectable		 3u9fD-6coyA:
undetectable
3u9fE-6coyA:
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.
6dd6 PHOTOLYASE PHRB

(Agrobacterium
tumefaciens) 		no annotation 5 THR A 346
PHE A 340
TYR A 341
LEU A 459
ALA A 377
 None
 1.41A 3u9fD-6dd6A:
undetectable
3u9fE-6dd6A:
undetectable		 3u9fD-6dd6A:
undetectable
3u9fE-6dd6A:
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.
6dex SUPPRESSOR OF
HYDROXYUREA
SENSITIVITY PROTEIN
2

(Eremothecium
gossypii) 		no annotation 5 PHE B 136
LEU B  15
VAL B 170
PHE B 158
ALA B  42
 None
 1.29A 3u9fD-6dexB:
undetectable
3u9fE-6dexB:
undetectable		 3u9fD-6dexB:
undetectable
3u9fE-6dexB:
undetectable