SIMILAR PATTERNS OF AMINO ACIDS FOR 1MAA_B_DMEB996

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1b41 ACETYLCHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		4 TRP A  86
TYR A 124
GLU A 202
TYR A 341
 None
 0.42A 1maaB-1b41A:
63.0
1maaD-1b41A:
62.6		 1maaB-1b41A:
88.50
1maaD-1b41A:
88.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1c2o ACETYLCHOLINESTERASE

(Electrophorus
electricus) 		PF00135
(COesterase) 		5 TRP A  86
TYR A 124
GLU A 202
ILE A 294
TYR A 341
 None
 0.32A 1maaB-1c2oA:
64.4
1maaD-1c2oA:
66.6		 1maaB-1c2oA:
99.81
1maaD-1c2oA:
99.81
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.
1d6n PROTEIN
(HYPOXANTHINE-GUANIN
E
PHOSPHORIBOSYLTRANSF
ERASE)

(Homo sapiens) 		PF00156
(Pribosyltran) 		4 GLU A  55
ILE A 136
TYR A 173
GLY A 172
 None
 0.99A 1maaB-1d6nA:
undetectable
1maaD-1d6nA:
undetectable		 1maaB-1d6nA:
17.45
1maaD-1d6nA:
17.45
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.
1dwa MYROSINASE MA1

(Sinapis alba) 		PF00232
(Glyco_hydro_1) 		4 GLU M 418
ILE M 382
TYR M 384
GLY M 368
 None
 0.94A 1maaB-1dwaM:
undetectable
1maaD-1dwaM:
1.1		 1maaB-1dwaM:
20.95
1maaD-1dwaM:
20.95
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.
1dyp KAPPA-CARRAGEENASE

(Pseudoalteromonas
carrageenovora) 		PF00722
(Glyco_hydro_16) 		4 TYR A 233
GLU A  37
ILE A 230
GLY A 240
 None
 1.17A 1maaB-1dypA:
undetectable
1maaD-1dypA:
undetectable		 1maaB-1dypA:
19.52
1maaD-1dypA:
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.
1eu8 TREHALOSE/MALTOSE
BINDING PROTEIN

(Thermococcus
litoralis) 		PF01547
(SBP_bac_1) 		4 TYR A 128
GLU A 186
TYR A 259
GLY A 262
 None
None
TRE  A 563 (-4.1A)
None
 1.10A 1maaB-1eu8A:
undetectable
1maaD-1eu8A:
undetectable		 1maaB-1eu8A:
24.35
1maaD-1eu8A:
24.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gqr ACETYLCHOLINESTERASE

(Tetronarce
californica) 		PF00135
(COesterase) 		4 TRP A  84
TYR A 121
GLU A 199
ILE A 287
 SAF  A1998 (-3.8A)
None
SAF  A1998 (-3.5A)
None
 0.56A 1maaB-1gqrA:
61.6
1maaD-1gqrA:
59.7		 1maaB-1gqrA:
58.56
1maaD-1gqrA:
58.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gqr ACETYLCHOLINESTERASE

(Tetronarce
californica) 		PF00135
(COesterase) 		4 TRP A  84
TYR A 121
GLU A 199
TYR A 334
 SAF  A1998 (-3.8A)
None
SAF  A1998 (-3.5A)
None
 0.57A 1maaB-1gqrA:
61.6
1maaD-1gqrA:
59.7		 1maaB-1gqrA:
58.56
1maaD-1gqrA:
58.56
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.
1iq7 OVOTRANSFERRIN

(Gallus gallus) 		PF00405
(Transferrin) 		4 GLU A 684
ILE A 665
TYR A 662
GLY A 658
 None
 1.13A 1maaB-1iq7A:
undetectable
1maaD-1iq7A:
undetectable		 1maaB-1iq7A:
20.58
1maaD-1iq7A:
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.
1k77 HYPOTHETICAL PROTEIN
YGBM

(Escherichia
coli) 		PF01261
(AP_endonuc_2) 		4 TYR A 233
GLU A  33
ILE A 175
GLY A 198
 None
 1.14A 1maaB-1k77A:
1.1
1maaD-1k77A:
undetectable		 1maaB-1k77A:
19.85
1maaD-1k77A:
19.85
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.
1ko0 DIAMINOPIMELATE
DECARBOXYLASE

(Escherichia
coli) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		4 GLU A  79
ILE A  36
TYR A  31
GLY A 278
 None
 1.17A 1maaB-1ko0A:
undetectable
1maaD-1ko0A:
undetectable		 1maaB-1ko0A:
22.63
1maaD-1ko0A:
22.63
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.
1l5a AMIDE SYNTHASE

(Vibrio cholerae) 		PF00668
(Condensation) 		4 TRP A 178
TYR A 171
ILE A 313
GLY A 309
 None
 1.13A 1maaB-1l5aA:
undetectable
1maaD-1l5aA:
undetectable		 1maaB-1l5aA:
22.32
1maaD-1l5aA:
22.32
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.
1lg4 PRION-LIKE PROTEIN

(Homo sapiens) 		PF00377
(Prion) 		4 GLU A 102
ILE A  89
TYR A  91
GLY A  93
 None
 1.07A 1maaB-1lg4A:
undetectable
1maaD-1lg4A:
undetectable		 1maaB-1lg4A:
13.16
1maaD-1lg4A:
13.16
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.
1np7 DNA PHOTOLYASE

(Synechocystis
sp. PCC 6803) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		4 TYR A 427
GLU A 434
ILE A 414
GLY A 357
 None
 0.90A 1maaB-1np7A:
undetectable
1maaD-1np7A:
undetectable		 1maaB-1np7A:
22.08
1maaD-1np7A:
22.08
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.
1p16 MRNA CAPPING ENZYME
ALPHA SUBUNIT

(Candida
albicans) 		PF01331
(mRNA_cap_enzyme)
PF03919
(mRNA_cap_C) 		4 TYR A 117
GLU A 113
ILE A 102
GLY A  86
 None
 1.13A 1maaB-1p16A:
undetectable
1maaD-1p16A:
undetectable		 1maaB-1p16A:
23.72
1maaD-1p16A:
23.72
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.
1sa8 FATTY ACID-BINDING
PROTEIN, INTESTINAL

(Rattus
norvegicus) 		PF00061
(Lipocalin) 		4 TYR A  45
GLU A  26
ILE A  78
GLY A  55
 None
 1.13A 1maaB-1sa8A:
undetectable
1maaD-1sa8A:
undetectable		 1maaB-1sa8A:
11.79
1maaD-1sa8A:
11.79
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.
1spp MAJOR SEMINAL PLASMA
GLYCOPROTEIN PSP-I
MAJOR SEMINAL PLASMA
GLYCOPROTEIN PSP-II

(Sus scrofa) 		PF00431
(CUB) 		4 TYR B  70
GLU A 104
ILE B  34
GLY B  63
 None
 1.12A 1maaB-1sppB:
undetectable
1maaD-1sppB:
undetectable		 1maaB-1sppB:
11.05
1maaD-1sppB:
11.05
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.
1tq4 INTERFERON-INDUCIBLE
GTPASE

(Mus musculus) 		PF05049
(IIGP) 		4 TYR A 140
GLU A 148
ILE A 153
GLY A  76
 None
 1.08A 1maaB-1tq4A:
undetectable
1maaD-1tq4A:
undetectable		 1maaB-1tq4A:
21.88
1maaD-1tq4A:
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.
1tz9 MANNONATE
DEHYDRATASE

(Enterococcus
faecalis) 		PF03786
(UxuA) 		4 GLU A 286
ILE A  15
TYR A   8
GLY A  12
 None
 0.96A 1maaB-1tz9A:
undetectable
1maaD-1tz9A:
undetectable		 1maaB-1tz9A:
21.43
1maaD-1tz9A:
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.
1u2v ACTIN-RELATED
PROTEIN 2
ACTIN-RELATED
PROTEIN 3

(Bos taurus) 		PF00022
(Actin) 		4 TYR A 184
GLU A 389
ILE A 141
GLY B 201
 None
 1.10A 1maaB-1u2vA:
undetectable
1maaD-1u2vA:
undetectable		 1maaB-1u2vA:
20.07
1maaD-1u2vA:
20.07
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.
1v0f ENDO-ALPHA-SIALIDASE

(Enterobacteria
phage K1F) 		PF12217
(End_beta_propel)
PF12218
(End_N_terminal)
PF12219
(End_tail_spike) 		4 GLU A 309
ILE A 714
TYR A 713
GLY A 755
 GLU  A 309 ( 0.6A)
ILE  A 714 ( 0.7A)
TYR  A 713 ( 1.3A)
GLY  A 755 ( 0.0A)
 1.05A 1maaB-1v0fA:
undetectable
1maaD-1v0fA:
undetectable		 1maaB-1v0fA:
22.78
1maaD-1v0fA:
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.
1wst MULTIPLE SUBSTRATE
AMINOTRANSFERASE

(Thermococcus
profundus) 		PF00155
(Aminotran_1_2) 		4 TRP A 265
GLU A 227
ILE A 219
GLY A 245
 None
 1.10A 1maaB-1wstA:
undetectable
1maaD-1wstA:
undetectable		 1maaB-1wstA:
22.93
1maaD-1wstA:
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.
1xss FLUORESCENT PROTEIN

(Favia favus) 		PF01353
(GFP) 		4 TYR A  87
GLU A 147
ILE A 121
TYR A 119
 None
None
None
DYG  A  64 ( 4.8A)
 1.13A 1maaB-1xssA:
undetectable
1maaD-1xssA:
undetectable		 1maaB-1xssA:
18.16
1maaD-1xssA:
18.16
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.
1y3n ALGQ1

(Sphingomonas
sp. A1) 		PF01547
(SBP_bac_1) 		4 TRP A 270
TYR A 395
ILE A 385
TYR A 379
 BEM  A 494 ( 3.8A)
BEM  A 494 (-4.6A)
None
None
 1.15A 1maaB-1y3nA:
undetectable
1maaD-1y3nA:
undetectable		 1maaB-1y3nA:
21.56
1maaD-1y3nA:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yr7 ATP(GTP)BINDING
PROTEIN

(Pyrococcus
abyssi) 		PF03029
(ATP_bind_1) 		4 TYR A  97
GLU A 239
TYR A  23
GLY A  21
 None
 1.12A 1maaB-1yr7A:
undetectable
1maaD-1yr7A:
undetectable		 1maaB-1yr7A:
19.56
1maaD-1yr7A:
19.56
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.
2htv NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 GLU A 128
ILE A 210
TYR A 207
GLY A 260
 None
 1.08A 1maaB-2htvA:
undetectable
1maaD-2htvA:
undetectable		 1maaB-2htvA:
20.92
1maaD-2htvA:
20.92
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.
2m9p SERINE PROTEASE
SUBUNIT NS2B, SERINE
PROTEASE NS3

(Dengue virus) 		PF00949
(Peptidase_S7)
PF01002
(Flavi_NS2B) 		4 GLU A  21
ILE A 200
TYR A 211
GLY A 197
 None
 0.86A 1maaB-2m9pA:
undetectable
1maaD-2m9pA:
undetectable		 1maaB-2m9pA:
16.97
1maaD-2m9pA:
16.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o20 CATABOLITE CONTROL
PROTEIN A

(Lactococcus
lactis) 		PF00532
(Peripla_BP_1) 		4 TYR A 185
GLU A 204
ILE A 325
GLY A 274
 None
 1.13A 1maaB-2o20A:
3.1
1maaD-2o20A:
3.7		 1maaB-2o20A:
20.90
1maaD-2o20A:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2otb GFP-LIKE FLUORESCENT
CHROMOPROTEIN CFP484

(Clavularia sp.) 		PF01353
(GFP) 		4 TYR A  91
GLU A 148
ILE A 122
TYR A 120
 None
None
None
PIA  A  66 ( 4.7A)
 1.09A 1maaB-2otbA:
undetectable
1maaD-2otbA:
undetectable		 1maaB-2otbA:
16.93
1maaD-2otbA:
16.93
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.
2qfr PURPLE ACID
PHOSPHATASE

(Phaseolus
vulgaris) 		PF00149
(Metallophos)
PF14008
(Metallophos_C)
PF16656
(Pur_ac_phosph_N) 		4 TYR A 167
GLU A 299
ILE A 368
GLY A 363
 FE  A 433 (-4.5A)
None
None
None
 1.01A 1maaB-2qfrA:
undetectable
1maaD-2qfrA:
undetectable		 1maaB-2qfrA:
20.17
1maaD-2qfrA:
20.17
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.
2rgh ALPHA-GLYCEROPHOSPHA
TE OXIDASE

(Streptococcus
sp.) 		PF01266
(DAO)
PF16901
(DAO_C) 		4 TYR A 504
GLU A 291
TYR A 547
GLY A 535
 None
 0.59A 1maaB-2rghA:
undetectable
1maaD-2rghA:
undetectable		 1maaB-2rghA:
23.02
1maaD-2rghA:
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.
2rha TRANSCRIPTIONAL
REGULATOR, TETR
FAMILY

(Novosphingobium
aromaticivorans) 		PF14514
(TetR_C_9) 		4 TYR A 163
ILE A 101
TYR A 104
GLY A 168
 None
 1.10A 1maaB-2rhaA:
undetectable
1maaD-2rhaA:
undetectable		 1maaB-2rhaA:
17.67
1maaD-2rhaA:
17.67
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.
2wz8 CELLULOSOME PROTEIN
DOCKERIN TYPE I

(Ruminiclostridium
thermocellum) 		PF03422
(CBM_6) 		4 TYR A  87
ILE A  41
TYR A 130
GLY A 132
 None
 1.13A 1maaB-2wz8A:
undetectable
1maaD-2wz8A:
undetectable		 1maaB-2wz8A:
14.82
1maaD-2wz8A:
14.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z8z LIPASE

(Pseudomonas sp.
MIS38) 		PF00353
(HemolysinCabind) 		4 TYR A   4
GLU A 390
TYR A 252
GLY A 251
 None
 1.14A 1maaB-2z8zA:
2.7
1maaD-2z8zA:
undetectable		 1maaB-2z8zA:
23.20
1maaD-2z8zA:
23.20
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.
3adf MONOMERIC AZAMI
GREEN

(Galaxea
fascicularis) 		PF01353
(GFP) 		4 TYR A  87
GLU A 144
ILE A 118
TYR A 116
 None
None
None
CRQ  A  64 ( 4.6A)
 1.06A 1maaB-3adfA:
undetectable
1maaD-3adfA:
undetectable		 1maaB-3adfA:
15.84
1maaD-3adfA:
15.84
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.
3aje PUTATIVE
UNCHARACTERIZED
PROTEIN ST1526

(Sulfurisphaera
tokodaii) 		PF01300
(Sua5_yciO_yrdC)
PF03481
(SUA5) 		4 GLU A  13
ILE A 170
TYR A  38
GLY A  39
 None
None
None
THR  A 353 (-3.3A)
 1.12A 1maaB-3ajeA:
undetectable
1maaD-3ajeA:
undetectable		 1maaB-3ajeA:
20.72
1maaD-3ajeA:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ayr ENDOGLUCANASE

(Piromyces
rhizinflatus) 		PF00150
(Cellulase) 		4 TRP A 164
TYR A 234
GLU A 154
GLY A 241
 None
 1.06A 1maaB-3ayrA:
0.5
1maaD-3ayrA:
undetectable		 1maaB-3ayrA:
20.80
1maaD-3ayrA:
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.
3cgl GFP-LIKE FLUORESCENT
CHROMOPROTEIN
DSFP483

(Discosoma
striata) 		PF01353
(GFP) 		4 TYR A  91
GLU A 148
ILE A 122
TYR A 120
 None
None
None
CRQ  A  66 ( 4.5A)
 1.09A 1maaB-3cglA:
undetectable
1maaD-3cglA:
undetectable		 1maaB-3cglA:
16.70
1maaD-3cglA:
16.70
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.
3csg MALTOSE-BINDING
PROTEIN MONOBODY YS1
FUSION

(Escherichia
coli) 		PF00041
(fn3)
PF13416
(SBP_bac_8) 		4 TRP A 392
ILE A 104
TYR A  99
GLY A 101
 None
 1.03A 1maaB-3csgA:
undetectable
1maaD-3csgA:
undetectable		 1maaB-3csgA:
20.52
1maaD-3csgA:
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.
3ddu PROLYL ENDOPEPTIDASE

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		4 GLU A 512
ILE A 480
TYR A 473
GLY A 556
 None
None
ACT  A 801 (-4.5A)
None
 1.11A 1maaB-3dduA:
16.4
1maaD-3dduA:
13.9		 1maaB-3dduA:
22.33
1maaD-3dduA:
22.33
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.
3fg2 PUTATIVE RUBREDOXIN
REDUCTASE

(Rhodopseudomonas
palustris) 		PF07992
(Pyr_redox_2)
PF14759
(Reductase_C) 		4 TYR P 317
GLU P 286
ILE P 331
GLY P 377
 None
 1.12A 1maaB-3fg2P:
undetectable
1maaD-3fg2P:
undetectable		 1maaB-3fg2P:
23.83
1maaD-3fg2P:
23.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h9c METHIONYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF09334
(tRNA-synt_1g) 		4 GLU A 100
ILE A 242
TYR A 249
GLY A 247
 None
 1.17A 1maaB-3h9cA:
0.3
1maaD-3h9cA:
undetectable		 1maaB-3h9cA:
22.61
1maaD-3h9cA:
22.61
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.
3kpx APOPHOTOPROTEIN
CLYTIN-3

(Clytia gregaria) 		PF13202
(EF-hand_5) 		4 TYR A 193
ILE A 133
TYR A 141
GLY A 142
 None
None
CZH  A 201 (-4.6A)
None
 1.03A 1maaB-3kpxA:
undetectable
1maaD-3kpxA:
undetectable		 1maaB-3kpxA:
15.40
1maaD-3kpxA:
15.40
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.
3lkw FUSION PROTEIN OF
NONSTRUCTURAL
PROTEIN 2B AND
NONSTRUCTURAL
PROTEIN 3

(Dengue virus) 		PF00949
(Peptidase_S7)
PF01002
(Flavi_NS2B) 		4 GLU A  22
ILE A 189
TYR A 200
GLY A 186
 None
 0.97A 1maaB-3lkwA:
undetectable
1maaD-3lkwA:
undetectable		 1maaB-3lkwA:
18.21
1maaD-3lkwA:
18.21
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.
3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA

(Escherichia
coli) 		PF00873
(ACR_tran) 		4 GLU A 613
ILE A  49
TYR A  94
GLY A  84
 None
 1.00A 1maaB-3ne5A:
2.1
1maaD-3ne5A:
undetectable		 1maaB-3ne5A:
20.17
1maaD-3ne5A:
20.17
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.
3ogg BOTULINUM NEUROTOXIN
TYPE D

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		4 TRP A1274
TYR A1123
ILE A1101
GLY A1132
 None
 0.80A 1maaB-3oggA:
undetectable
1maaD-3oggA:
undetectable		 1maaB-3oggA:
18.72
1maaD-3oggA:
18.72
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.
3p5p TAXADIENE SYNTHASE

(Taxus
brevifolia) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		4 GLU A 765
ILE A 712
TYR A 684
GLY A 717
 MG  A 901 ( 2.6A)
None
None
None
 1.08A 1maaB-3p5pA:
2.6
1maaD-3p5pA:
2.9		 1maaB-3p5pA:
21.17
1maaD-3p5pA:
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.
3poc ALPHA-GLUCOSIDASE

(Blautia obeum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		4 GLU A 250
ILE A 393
TYR A 293
GLY A 387
 None
 1.03A 1maaB-3pocA:
undetectable
1maaD-3pocA:
undetectable		 1maaB-3pocA:
20.17
1maaD-3pocA:
20.17
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.
3qbd 3-DEHYDROQUINATE
SYNTHASE

(Mycobacterium
tuberculosis) 		PF01761
(DHQ_synthase) 		4 TYR A 247
GLU A 278
ILE A 297
GLY A 191
 None
 1.06A 1maaB-3qbdA:
undetectable
1maaD-3qbdA:
undetectable		 1maaB-3qbdA:
22.46
1maaD-3qbdA:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rha PUTRESCINE OXIDASE

(Paenarthrobacter
aurescens) 		PF01593
(Amino_oxidase) 		4 TYR A 396
GLU A  57
ILE A 207
GLY A 174
 FDA  A 483 (-4.3A)
None
None
None
 1.14A 1maaB-3rhaA:
undetectable
1maaD-3rhaA:
undetectable		 1maaB-3rhaA:
23.47
1maaD-3rhaA:
23.47
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.
3rw9 SPERMIDINE SYNTHASE

(Homo sapiens) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 TYR A  79
GLU A 208
ILE A 100
GLY A 102
 DSH  A 303 ( 4.9A)
None
None
DSH  A 303 ( 4.7A)
 1.14A 1maaB-3rw9A:
undetectable
1maaD-3rw9A:
undetectable		 1maaB-3rw9A:
21.64
1maaD-3rw9A:
21.64
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.
3t6c PUTATIVE MAND FAMILY
DEHYDRATASE

(Pantoea
ananatis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 TYR A 150
ILE A 122
TYR A 374
GLY A 373
 None
 1.15A 1maaB-3t6cA:
undetectable
1maaD-3t6cA:
undetectable		 1maaB-3t6cA:
20.14
1maaD-3t6cA:
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.
3vab DIAMINOPIMELATE
DECARBOXYLASE 1

(Brucella
melitensis) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		4 GLU A  86
ILE A  38
TYR A  33
GLY A 286
 LLP  A  61 ( 3.5A)
None
None
None
 1.09A 1maaB-3vabA:
undetectable
1maaD-3vabA:
undetectable		 1maaB-3vabA:
21.99
1maaD-3vabA:
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.
3vil BETA-GLUCOSIDASE

(Neotermes
koshunensis) 		PF00232
(Glyco_hydro_1) 		4 TYR A 292
ILE A 285
TYR A 281
GLY A 279
 None
 1.01A 1maaB-3vilA:
undetectable
1maaD-3vilA:
undetectable		 1maaB-3vilA:
22.60
1maaD-3vilA:
22.60
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.
3wb1 UNCHARACTERIZED
PROTEIN MJ0488

(Methanocaldococcus
jannaschii) 		PF11576
(DUF3236) 		4 GLU A   5
ILE A 116
TYR A  99
GLY A  87
 SO4  A 201 ( 4.7A)
None
None
None
 0.86A 1maaB-3wb1A:
undetectable
1maaD-3wb1A:
undetectable		 1maaB-3wb1A:
13.66
1maaD-3wb1A:
13.66
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.
3wmy EXTRACELLULAR
EXO-ALPHA-L-ARABINOF
URANOSIDASE

(Streptomyces
coelicolor) 		PF03664
(Glyco_hydro_62) 		4 TRP A 466
GLU A 379
TYR A 224
GLY A 225
 None
None
TRS  A 503 (-3.8A)
None
 0.90A 1maaB-3wmyA:
undetectable
1maaD-3wmyA:
undetectable		 1maaB-3wmyA:
23.13
1maaD-3wmyA:
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.
3zul FLUORESCENT PROTEIN
DRONPA

(Echinophyllia
sp. SC22) 		PF01353
(GFP) 		4 TYR A  87
GLU A 144
ILE A 118
TYR A 116
 None
None
None
GYC  A  63 ( 4.8A)
 1.13A 1maaB-3zulA:
undetectable
1maaD-3zulA:
undetectable		 1maaB-3zulA:
17.50
1maaD-3zulA:
17.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b3n MALTOSE-BINDING
PERIPLASMIC PROTEIN,
TRIPARTITE
MOTIF-CONTAINING
PROTEIN 5

(Escherichia
coli;
Macaca mulatta) 		PF00622
(SPRY)
PF01547
(SBP_bac_1) 		4 GLU A 214
ILE A  11
TYR A  17
GLY A  19
 None
 1.09A 1maaB-4b3nA:
undetectable
1maaD-4b3nA:
undetectable		 1maaB-4b3nA:
22.19
1maaD-4b3nA:
22.19
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.
4dns FAD-LINKED
OXIDOREDUCTASE BG60

(Cynodon
dactylon) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		4 GLU A 276
ILE A 310
TYR A 135
GLY A 146
 None
 0.97A 1maaB-4dnsA:
undetectable
1maaD-4dnsA:
undetectable		 1maaB-4dnsA:
21.44
1maaD-4dnsA:
21.44
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.
4hcx ISOCITRATE
DEHYDROGENASE [NADP]

(Mycobacterium
tuberculosis) 		PF00180
(Iso_dh) 		4 TYR A 202
GLU A 363
ILE A 131
GLY A 134
 None
 0.95A 1maaB-4hcxA:
undetectable
1maaD-4hcxA:
undetectable		 1maaB-4hcxA:
21.84
1maaD-4hcxA:
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.
4hu8 GH10 XYLANASE

(Globitermes
brachycerastes) 		PF00331
(Glyco_hydro_10)
PF02368
(Big_2) 		4 TYR A 360
ILE A 335
TYR A 298
GLY A 339
 None
 1.14A 1maaB-4hu8A:
undetectable
1maaD-4hu8A:
undetectable		 1maaB-4hu8A:
20.11
1maaD-4hu8A:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ihc MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Dickeya
paradisiaca) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 TYR A 150
ILE A 122
TYR A 374
GLY A 373
 None
 1.13A 1maaB-4ihcA:
undetectable
1maaD-4ihcA:
undetectable		 1maaB-4ihcA:
21.49
1maaD-4ihcA:
21.49
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.
4jc2 ASFP504

(Alcyonium) 		PF01353
(GFP) 		4 TYR A  87
GLU A 144
ILE A 118
TYR A 116
 None
CRQ  A  64 ( 4.9A)
None
CRQ  A  64 ( 4.6A)
 1.04A 1maaB-4jc2A:
undetectable
1maaD-4jc2A:
undetectable		 1maaB-4jc2A:
16.76
1maaD-4jc2A:
16.76
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.
4k81 GROWTH FACTOR
RECEPTOR-BOUND
PROTEIN 14

(Homo sapiens) 		PF00169
(PH)
PF00788
(RA) 		4 GLU A 326
ILE A 254
TYR A 255
GLY A 269
 None
 1.03A 1maaB-4k81A:
undetectable
1maaD-4k81A:
undetectable		 1maaB-4k81A:
18.51
1maaD-4k81A:
18.51
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.
4lgl GLYCINE
DEHYDROGENASE
[DECARBOXYLATING]

(Synechocystis
sp. PCC 6803) 		PF02347
(GDC-P) 		4 TYR A 131
GLU A 594
ILE A 730
GLY A 733
 None
 1.15A 1maaB-4lglA:
2.0
1maaD-4lglA:
undetectable		 1maaB-4lglA:
20.70
1maaD-4lglA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lzh L,D-TRANSPEPTIDASE

(Klebsiella
pneumoniae) 		PF03734
(YkuD) 		4 GLU A 249
ILE A 119
TYR A 111
GLY A  98
 None
 0.98A 1maaB-4lzhA:
undetectable
1maaD-4lzhA:
undetectable		 1maaB-4lzhA:
18.64
1maaD-4lzhA:
18.64
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.
4nen INTEGRIN ALPHA-X
INTEGRIN BETA-2

(Homo sapiens) 		PF00092
(VWA)
PF00362
(Integrin_beta)
PF01839
(FG-GAP)
PF07965
(Integrin_B_tail)
PF08441
(Integrin_alpha2)
PF17205
(PSI_integrin) 		4 TYR A 385
ILE B 256
TYR B 279
GLY B 249
 None
 1.12A 1maaB-4nenA:
2.1
1maaD-4nenA:
undetectable		 1maaB-4nenA:
20.13
1maaD-4nenA:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oca UDP-4-AMINO-4-DEOXY-
L-ARABINOSE--OXOGLUT
ARATE
AMINOTRANSFERASE

(Salmonella
enterica) 		PF01041
(DegT_DnrJ_EryC1) 		4 GLU A 151
ILE A 174
TYR A 169
GLY A 171
 None
 1.06A 1maaB-4ocaA:
undetectable
1maaD-4ocaA:
undetectable		 1maaB-4ocaA:
20.82
1maaD-4ocaA:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qi8 LYTIC POLYSACCHARIDE
MONOOXYGENASE

(Neurospora
crassa) 		PF03443
(Glyco_hydro_61) 		4 TYR A   2
GLU A 105
ILE A 158
GLY A  30
 None
None
None
NO3  A 302 (-3.4A)
 1.14A 1maaB-4qi8A:
undetectable
1maaD-4qi8A:
undetectable		 1maaB-4qi8A:
18.30
1maaD-4qi8A:
18.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qww ACETYLCHOLINESTERASE

(Bungarus
fasciatus) 		PF00135
(COesterase) 		5 TRP A  84
TYR A 121
GLU A 199
ILE A 287
TYR A 334
 None
 0.32A 1maaB-4qwwA:
62.4
1maaD-4qwwA:
59.0		 1maaB-4qwwA:
63.75
1maaD-4qwwA:
63.75
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.
4r04 TOXIN A

(Clostridioides
difficile) 		PF11713
(Peptidase_C80)
PF12918
(TcdB_N)
PF12919
(TcdA_TcdB)
PF12920
(TcdA_TcdB_pore) 		4 TYR A1205
GLU A1131
ILE A1164
GLY A1167
 None
 1.03A 1maaB-4r04A:
undetectable
1maaD-4r04A:
3.1		 1maaB-4r04A:
14.40
1maaD-4r04A:
14.40
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.
4tza FLUORESCENT PROTEIN

(synthetic
construct) 		no annotation 4 TYR C  87
GLU C 144
ILE C 118
TYR C 116
 None
CRQ  C  62 ( 4.8A)
None
CRQ  C  62 ( 4.7A)
 1.12A 1maaB-4tzaC:
undetectable
1maaD-4tzaC:
undetectable		 1maaB-4tzaC:
15.88
1maaD-4tzaC:
15.88
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.
4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT

(Desulfovibrio
vulgaris) 		PF00374
(NiFeSe_Hases) 		4 GLU L 306
ILE L 437
TYR L 440
GLY L 442
 None
 0.99A 1maaB-4u9iL:
undetectable
1maaD-4u9iL:
undetectable		 1maaB-4u9iL:
23.75
1maaD-4u9iL:
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.
4uir OLEATE HYDRATASE

(Elizabethkingia
meningoseptica) 		PF06100
(MCRA) 		4 GLU A 141
ILE A 117
TYR A 115
GLY A 109
 None
 0.89A 1maaB-4uirA:
undetectable
1maaD-4uirA:
undetectable		 1maaB-4uirA:
20.72
1maaD-4uirA:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wb7 DNAJ HOMOLOG
SUBFAMILY B MEMBER
1,CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA

(Homo sapiens) 		PF00069
(Pkinase)
PF00226
(DnaJ) 		4 GLU A  46
ILE A  62
TYR A  66
GLY A  67
 None
 1.12A 1maaB-4wb7A:
undetectable
1maaD-4wb7A:
undetectable		 1maaB-4wb7A:
20.40
1maaD-4wb7A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum) 		PF00148
(Oxidored_nitro) 		4 GLU A 204
ILE A 210
TYR A 208
GLY A 233
 None
 1.17A 1maaB-4wn9A:
undetectable
1maaD-4wn9A:
undetectable		 1maaB-4wn9A:
22.46
1maaD-4wn9A:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xg1 DIAMINOPIMELATE
DECARBOXYLASE

(Psychromonas
ingrahamii) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		4 GLU A  86
ILE A  38
TYR A  33
GLY A 284
 None
 1.11A 1maaB-4xg1A:
undetectable
1maaD-4xg1A:
undetectable		 1maaB-4xg1A:
21.88
1maaD-4xg1A:
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.
4zxb INSULIN RECEPTOR

(Homo sapiens) 		PF00041
(fn3)
PF00757
(Furin-like)
PF01030
(Recep_L_domain) 		4 GLU E 755
ILE E 781
TYR E 779
GLY E 778
 None
 1.16A 1maaB-4zxbE:
undetectable
1maaD-4zxbE:
undetectable		 1maaB-4zxbE:
19.80
1maaD-4zxbE:
19.80
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.
5b7z UNCHARACTERIZED
PROTEIN TM_0416

(Thermotoga
maritima) 		PF01261
(AP_endonuc_2) 		4 TYR A 236
GLU A  39
ILE A 162
GLY A 201
 None
 1.14A 1maaB-5b7zA:
2.3
1maaD-5b7zA:
undetectable		 1maaB-5b7zA:
19.27
1maaD-5b7zA:
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.
5ce7 CTD KINASE SUBUNIT
GAMMA

(Schizosaccharomyces
pombe) 		PF12243
(CTK3) 		4 GLU A  47
ILE A  84
TYR A  80
GLY A  79
 None
 1.09A 1maaB-5ce7A:
undetectable
1maaD-5ce7A:
undetectable		 1maaB-5ce7A:
14.34
1maaD-5ce7A:
14.34
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.
5eio N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE/N-ACET
YL-GAMMA-AMINOADIPYL
-PHOSPHATE REDUCTASE

(Thermus
thermophilus) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		4 TYR A 261
GLU A 333
ILE A 310
GLY A 156
 None
 1.15A 1maaB-5eioA:
undetectable
1maaD-5eioA:
undetectable		 1maaB-5eioA:
22.42
1maaD-5eioA:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gxj FLAVIVIRUS_NS2B,LINK
ER,PEPTIDASE S7

(Zika virus;
synthetic
construct) 		PF00949
(Peptidase_S7)
PF01002
(Flavi_NS2B) 		4 GLU A  66
ILE A1139
TYR A1150
GLY A1136
 None
 0.99A 1maaB-5gxjA:
undetectable
1maaD-5gxjA:
undetectable		 1maaB-5gxjA:
18.69
1maaD-5gxjA:
18.69
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.
5h71 ALGQ2

(Sphingomonas
sp.) 		PF01547
(SBP_bac_1) 		4 TRP A 270
TYR A 395
ILE A 385
TYR A 379
 BEM  A 502 ( 3.6A)
MAW  A 501 ( 4.5A)
None
None
 1.11A 1maaB-5h71A:
undetectable
1maaD-5h71A:
undetectable		 1maaB-5h71A:
20.50
1maaD-5h71A:
20.50
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.
5iic MALTOSE-BINDING
PERIPLASMIC
PROTEIN,VITELLINE
ENVELOPE SPERM LYSIN
RECEPTOR

(Escherichia
coli;
Haliotis
rufescens) 		PF11386
(VERL)
PF13416
(SBP_bac_8) 		4 GLU A4183
ILE A3980
TYR A3986
GLY A3988
 None
 1.14A 1maaB-5iicA:
undetectable
1maaD-5iicA:
undetectable		 1maaB-5iicA:
20.04
1maaD-5iicA:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jbo BETA-GLUCOSIDASE

(Trichoderma
harzianum) 		PF00232
(Glyco_hydro_1) 		4 TYR A 280
ILE A 274
TYR A 270
GLY A 268
 None
 1.00A 1maaB-5jboA:
1.8
1maaD-5jboA:
undetectable		 1maaB-5jboA:
20.38
1maaD-5jboA:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jmd HEPARINASE III
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF07940
(Hepar_II_III)
PF16889
(Hepar_II_III_N) 		4 TRP A 118
GLU A 188
ILE A 113
TYR A 109
 None
 0.70A 1maaB-5jmdA:
undetectable
1maaD-5jmdA:
undetectable		 1maaB-5jmdA:
20.86
1maaD-5jmdA:
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.
5jmd HEPARINASE III
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF07940
(Hepar_II_III)
PF16889
(Hepar_II_III_N) 		4 TRP A 118
GLU A 188
TYR A 109
GLY A 110
 None
 1.08A 1maaB-5jmdA:
undetectable
1maaD-5jmdA:
undetectable		 1maaB-5jmdA:
20.86
1maaD-5jmdA:
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.
5k9h 0940_GH29

(unidentified) 		PF00754
(F5_F8_type_C)
PF01120
(Alpha_L_fucos) 		4 TRP A 205
GLU A 220
TYR A  23
GLY A  69
 None
GOL  A 602 ( 3.1A)
None
None
 1.13A 1maaB-5k9hA:
undetectable
1maaD-5k9hA:
undetectable		 1maaB-5k9hA:
22.51
1maaD-5k9hA:
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.
5lq3 CMEB

(Campylobacter
jejuni) 		PF00873
(ACR_tran) 		4 TYR A 678
ILE A  77
TYR A  94
GLY A 856
 None
 1.05A 1maaB-5lq3A:
undetectable
1maaD-5lq3A:
undetectable		 1maaB-5lq3A:
19.77
1maaD-5lq3A:
19.77
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.
5o7e COLH PROTEIN

(Hathewaya
histolytica) 		no annotation 4 TYR A 420
ILE A 404
TYR A 438
GLY A 426
 None
 1.15A 1maaB-5o7eA:
undetectable
1maaD-5o7eA:
undetectable		 1maaB-5o7eA:
8.12
1maaD-5o7eA:
8.12
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.
5ukw GLUCOSE-6-PHOSPHATE
1-DEHYDROGENASE

(Homo sapiens) 		PF00479
(G6PD_N)
PF02781
(G6PD_C) 		4 GLU A 156
ILE A  35
TYR A  70
GLY A  38
 None
 1.05A 1maaB-5ukwA:
2.3
1maaD-5ukwA:
1.8		 1maaB-5ukwA:
20.28
1maaD-5ukwA:
20.28
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.
5uz9 CRISPR-ASSOCIATED
PROTEIN CSY1
CRISPR-ASSOCIATED
PROTEIN CSY2

(Pseudomonas
aeruginosa) 		PF09611
(Cas_Csy1)
PF09614
(Cas_Csy2) 		4 TRP A 263
GLU A 261
ILE B  70
GLY B  30
 None
 0.92A 1maaB-5uz9A:
undetectable
1maaD-5uz9A:
undetectable		 1maaB-5uz9A:
23.37
1maaD-5uz9A:
23.37
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.
5ydj ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 4 GLU A 511
ILE A 492
TYR A 488
GLY A 487
 None
 0.87A 1maaB-5ydjA:
63.3
1maaD-5ydjA:
55.1		 1maaB-5ydjA:
9.14
1maaD-5ydjA:
9.14
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.
5ydj ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 4 TRP A 245
TYR A 282
GLU A 359
ILE A 446
 SEB  A 360 ( 4.2A)
None
SEB  A 360 ( 3.3A)
None
 0.69A 1maaB-5ydjA:
63.3
1maaD-5ydjA:
55.1		 1maaB-5ydjA:
9.14
1maaD-5ydjA:
9.14
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.
5ydj ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 4 TRP A 245
TYR A 282
GLU A 359
TYR A 493
 SEB  A 360 ( 4.2A)
None
SEB  A 360 ( 3.3A)
None
 0.57A 1maaB-5ydjA:
63.3
1maaD-5ydjA:
55.1		 1maaB-5ydjA:
9.14
1maaD-5ydjA:
9.14
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.
5z0r EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY
1,VIRAL GENOME
PROTEIN

(Escherichia
coli) 		no annotation 4 GLU A 215
ILE A  12
TYR A  18
GLY A  20
 None
 1.16A 1maaB-5z0rA:
undetectable
1maaD-5z0rA:
undetectable		 1maaB-5z0rA:
11.63
1maaD-5z0rA:
11.63
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.
6arx ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 4 TRP A 245
TYR A 282
GLU A 359
ILE A 446
 None
 0.74A 1maaB-6arxA:
64.4
1maaD-6arxA:
55.1		 1maaB-6arxA:
9.77
1maaD-6arxA:
9.77
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.
6arx ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 4 TRP A 245
TYR A 282
GLU A 359
TYR A 493
 None
 0.56A 1maaB-6arxA:
64.4
1maaD-6arxA:
55.1		 1maaB-6arxA:
9.77
1maaD-6arxA:
9.77
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.
6eu2 DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC3

(Saccharomyces
cerevisiae) 		no annotation 4 GLU O 649
ILE O 282
TYR O 199
GLY O 198
 None
 1.09A 1maaB-6eu2O:
undetectable
1maaD-6eu2O:
undetectable		 1maaB-6eu2O:
10.05
1maaD-6eu2O:
10.05
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.
6fa5 PUTATIVE MRNA
SPLICING FACTOR

(Chaetomium
thermophilum) 		no annotation 4 GLU A 382
ILE A 545
TYR A 546
GLY A 515
 None
 1.15A 1maaB-6fa5A:
undetectable
1maaD-6fa5A:
undetectable		 1maaB-6fa5A:
11.65
1maaD-6fa5A:
11.65