SIMILAR PATTERNS OF AMINO ACIDS FOR 3APW_A_DP0A190_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dxj CLASS II CHITINASE

(Canavalia
ensiformis) 		PF00182
(Glyco_hydro_19) 		5 PHE A  29
VAL A  88
PHE A  61
ALA A  34
SER A 149
 None
 1.45A 3apwA-1dxjA:
undetectable		 3apwA-1dxjA:
20.00
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.
1e09 PRU AV 1

(Prunus avium) 		PF00407
(Bet_v_1) 		5 TYR A 120
VAL A 133
ILE A 128
SER A   7
SER A 118
 None
 1.42A 3apwA-1e09A:
undetectable		 3apwA-1e09A:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fok PROTEIN (FOKI
RESTRICTION
ENDONUCLEASE)

(Planomicrobium
okeanokoites) 		PF02980
(FokI_C)
PF02981
(FokI_N)
PF09254
(Endonuc-FokI_C)
PF16902
(Type2_restr_D3) 		5 TYR A 438
PHE A 572
VAL A 464
PHE A 431
TYR A 436
 None
 1.27A 3apwA-1fokA:
0.2		 3apwA-1fokA:
15.77
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.
1h81 POLYAMINE OXIDASE

(Zea mays) 		PF01593
(Amino_oxidase) 		5 VAL A   9
ILE A  33
GLU A  35
ALA A 443
SER A 446
 None
None
FAD  A 579 (-2.7A)
FAD  A 579 (-3.4A)
None
 1.31A 3apwA-1h81A:
undetectable		 3apwA-1h81A:
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.
1hjv CHITINASE-3 LIKE
PROTEIN 1

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		5 TYR A  27
VAL A  25
ALA A 138
SER A  95
SER A 175
 NAG  A  -1 (-3.8A)
None
NAG  A  -1 ( 3.9A)
None
None
 1.36A 3apwA-1hjvA:
undetectable		 3apwA-1hjvA:
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.
1hlg LIPASE, GASTRIC

(Homo sapiens) 		PF00561
(Abhydrolase_1) 		5 VAL A 366
ILE A 370
PHE A 176
PHE A 160
ALA A 327
 None
 1.20A 3apwA-1hlgA:
undetectable		 3apwA-1hlgA:
17.93
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.
1js8 HEMOCYANIN

(Enteroctopus
dofleini) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 TYR A2694
VAL A2622
ILE A2620
SER A2548
SER A2541
 None
 1.44A 3apwA-1js8A:
0.0		 3apwA-1js8A:
18.78
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.
1k8q TRIACYLGLYCEROL
LIPASE, GASTRIC

(Canis lupus) 		PF00561
(Abhydrolase_1) 		5 VAL A 366
ILE A 370
PHE A 176
PHE A 160
ALA A 327
 None
 1.14A 3apwA-1k8qA:
0.0		 3apwA-1k8qA:
17.71
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.
1kho ALPHA-TOXIN

(Clostridium
perfringens) 		PF00882
(Zn_dep_PLPC)
PF01477
(PLAT) 		5 PHE A 185
ILE A 179
ALA A 124
SER A 102
SER A 189
 None
 1.32A 3apwA-1khoA:
undetectable		 3apwA-1khoA:
19.67
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.
1lpb LIPASE

(Homo sapiens) 		PF00151
(Lipase)
PF01477
(PLAT) 		5 PHE B 386
TYR B 340
VAL B 342
ILE B 420
SER B 388
 None
 1.05A 3apwA-1lpbB:
0.0		 3apwA-1lpbB:
17.25
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.
1p9o PHOSPHOPANTOTHENOYLC
YSTEINE SYNTHETASE

(Homo sapiens) 		PF04127
(DFP) 		5 TYR A 176
VAL A 256
ILE A 269
ALA A  72
SER A  69
 None
 1.36A 3apwA-1p9oA:
undetectable		 3apwA-1p9oA:
20.97
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.
1r9j TRANSKETOLASE

(Leishmania
mexicana) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 TYR A 635
ILE A 462
ALA A 551
SER A 552
SER A 554
 None
 1.21A 3apwA-1r9jA:
undetectable		 3apwA-1r9jA:
12.82
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.
1txk GLUCANS BIOSYNTHESIS
PROTEIN G

(Escherichia
coli) 		PF04349
(MdoG) 		5 PHE A 188
ILE A 236
PHE A 310
ALA A 170
TYR A 383
 None
 1.14A 3apwA-1txkA:
undetectable		 3apwA-1txkA:
18.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1urd MALTOSE-BINDING
PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF01547
(SBP_bac_1) 		5 ILE A 376
PHE A 171
PHE A 162
ALA A 281
TYR A 173
 None
 1.43A 3apwA-1urdA:
undetectable		 3apwA-1urdA:
18.55
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.
2g64 PUTATIVE 6-PYRUVOYL
TETRAHYDROBIOPTERIN
SYNTHASE

(Caenorhabditis
elegans) 		PF01242
(PTPS) 		5 TYR A  48
PHE A  94
TYR A 107
VAL A 104
ILE A 127
 None
 1.17A 3apwA-2g64A:
undetectable		 3apwA-2g64A:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rjt BETA-KETOACYL-ACP
SYNTHASE II

(Streptococcus
pneumoniae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 TYR A 299
PHE A 358
ALA A 363
SER A 333
SER A 329
 None
 1.40A 3apwA-2rjtA:
undetectable		 3apwA-2rjtA:
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.
2rjt BETA-KETOACYL-ACP
SYNTHASE II

(Streptococcus
pneumoniae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 TYR A 299
VAL A 349
ALA A 363
SER A 333
SER A 329
 None
 1.37A 3apwA-2rjtA:
undetectable		 3apwA-2rjtA:
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.
2wmh FUCOLECTIN-RELATED
PROTEIN

(Streptococcus
pneumoniae) 		PF08306
(Glyco_hydro_98M)
PF08307
(Glyco_hydro_98C) 		5 TYR A 374
PHE A 360
GLU A 369
SER A 235
TYR A 365
 None
 1.49A 3apwA-2wmhA:
undetectable		 3apwA-2wmhA:
14.81
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.
2wsx L-CARNITINE/GAMMA-BU
TYROBETAINE
ANTIPORTER

(Escherichia
coli) 		PF02028
(BCCT) 		5 TYR A 285
ILE A 374
PHE A 312
ALA A 136
SER A 289
 None
 1.38A 3apwA-2wsxA:
undetectable		 3apwA-2wsxA:
14.76
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.
2wxu PHOSPHOLIPASE C

(Clostridium
perfringens) 		PF00882
(Zn_dep_PLPC)
PF01477
(PLAT) 		5 PHE A 185
ILE A 179
ALA A 124
SER A 102
SER A 189
 None
 1.29A 3apwA-2wxuA:
undetectable		 3apwA-2wxuA:
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.
2xa7 AP-2 COMPLEX SUBUNIT
BETA

(Homo sapiens) 		PF01602
(Adaptin_N) 		5 VAL B 310
ILE B 306
PHE B 369
GLU B 337
ALA B 376
 None
 1.32A 3apwA-2xa7B:
undetectable		 3apwA-2xa7B:
14.88
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.
3adp LAMBDA-CRYSTALLIN

(Oryctolagus
cuniculus) 		PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 PHE A  25
VAL A   9
PHE A 106
PHE A 132
ALA A 144
 None
 1.49A 3apwA-3adpA:
undetectable		 3apwA-3adpA:
18.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3apu ALPHA-1-ACID
GLYCOPROTEIN 2

(Homo sapiens) 		PF00061
(Lipocalin) 		12 TYR A  27
PHE A  32
TYR A  37
VAL A  41
ILE A  44
PHE A  49
PHE A  51
GLU A  64
ALA A  99
SER A 114
SER A 125
TYR A 127
 PG4  A 190 ( 3.8A)
None
None
PG4  A 190 (-4.9A)
None
PG4  A 190 ( 4.1A)
None
PG4  A 190 (-4.1A)
PG4  A 190 ( 4.2A)
None
PG4  A 190 ( 3.7A)
None
 0.50A 3apwA-3apuA:
33.4		 3apwA-3apuA:
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.
3ebw PER A 4 ALLERGEN

(Periplaneta
americana) 		PF08212
(Lipocalin_2) 		5 TYR A  97
TYR A  20
ILE A  85
ALA A 126
SER A 108
 PE4  A5747 (-3.5A)
None
PE4  A5747 (-4.4A)
None
None
 1.46A 3apwA-3ebwA:
14.0		 3apwA-3ebwA:
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.
3i4x TRYPTOPHAN
DIMETHYLALLYLTRANSFE
RASE

(Aspergillus
fumigatus) 		PF11991
(Trp_DMAT) 		5 TYR A  46
PHE A  37
TYR A 101
VAL A  99
ILE A  98
 None
 1.29A 3apwA-3i4xA:
undetectable		 3apwA-3i4xA:
18.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kq0 ALPHA-1-ACID
GLYCOPROTEIN 1

(Homo sapiens) 		PF00061
(Lipocalin) 		10 TYR A  27
PHE A  32
VAL A  41
ILE A  44
PHE A  49
PHE A  51
GLU A  64
ALA A  99
SER A 125
TYR A 127
 None
None
None
None
JIM  A 193 (-3.8A)
None
None
JIM  A 193 ( 4.0A)
None
None
 0.73A 3apwA-3kq0A:
28.0		 3apwA-3kq0A:
86.24
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.
3me5 CYTOSINE-SPECIFIC
METHYLTRANSFERASE

(Shigella
flexneri) 		PF00145
(DNA_methylase) 		5 PHE A 137
ILE A  27
PHE A 421
PHE A 413
ALA A  94
 None
 1.22A 3apwA-3me5A:
undetectable		 3apwA-3me5A:
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.
3mvu TENA FAMILY
TRANSCRIPTIONAL
REGULATOR

(Ruegeria sp.
TM1040) 		PF03070
(TENA_THI-4) 		5 TYR A 172
ILE A 147
PHE A 218
GLU A 215
TYR A  45
 EDO  A 237 (-4.7A)
None
IMD  A 226 (-3.6A)
IMD  A 226 (-2.8A)
None
 1.28A 3apwA-3mvuA:
undetectable		 3apwA-3mvuA:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n11 CHITINASE A

(Bacillus cereus) 		PF00704
(Glyco_hydro_18) 		5 TYR A 221
TYR A  39
VAL A  37
SER A 105
SER A 186
 None
 1.29A 3apwA-3n11A:
undetectable		 3apwA-3n11A:
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.
3o0h GLUTATHIONE
REDUCTASE

(Bartonella
henselae) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 PHE A 117
VAL A 279
PHE A 323
PHE A 328
ALA A 134
 None
 1.14A 3apwA-3o0hA:
undetectable		 3apwA-3o0hA:
15.70
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.
3sq7 TYROSYL-DNA
PHOSPHODIESTERASE 1

(Saccharomyces
cerevisiae) 		PF06087
(Tyr-DNA_phospho) 		5 ILE A 103
PHE A  82
ALA A 431
SER A 201
TYR A 461
 None
 1.44A 3apwA-3sq7A:
undetectable		 3apwA-3sq7A:
16.99
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.
3w3e COTYLEDONEOUS
YIELDIN-LIKE PROTEIN

(Vigna
unguiculata) 		PF00182
(Glyco_hydro_19) 		5 PHE A  29
VAL A  88
PHE A  61
ALA A  34
SER A 149
 None
 1.49A 3apwA-3w3eA:
undetectable		 3apwA-3w3eA:
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.
3zu4 PUTATIVE REDUCTASE
YPO4104/Y4119/YP_401
1

(Yersinia pestis) 		PF07055
(Eno-Rase_FAD_bd)
PF12241
(Enoyl_reductase)
PF12242
(Eno-Rase_NADH_b) 		5 PHE A  73
PHE A  63
ALA A 105
SER A 107
SER A  91
 None
 1.43A 3apwA-3zu4A:
undetectable		 3apwA-3zu4A:
16.54
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.
4a5q CHI1

(Yersinia
entomophaga) 		PF00704
(Glyco_hydro_18) 		5 PHE A 110
PHE A  59
ALA A  97
SER A  78
SER A 487
 None
 1.29A 3apwA-4a5qA:
undetectable		 3apwA-4a5qA:
14.21
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.
4bpc RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE S

(Homo sapiens) 		PF00102
(Y_phosphatase) 		5 PHE A1859
TYR A1818
VAL A1863
ILE A1775
PHE A1823
 None
 1.40A 3apwA-4bpcA:
undetectable		 3apwA-4bpcA:
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.
4dji PROBABLE
GLUTAMATE/GAMMA-AMIN
OBUTYRATE ANTIPORTER

(Escherichia
coli) 		PF13520
(AA_permease_2) 		5 PHE A  35
TYR A  32
GLU A 304
SER A 249
SER A 213
 None
 1.36A 3apwA-4djiA:
undetectable		 3apwA-4djiA:
16.24
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.
4hfo BIOGENIC
AMINE-BINDING
PROTEIN

(Rhodnius
prolixus) 		PF02087
(Nitrophorin) 		5 PHE A  59
PHE A  13
ALA A  90
SER A  74
TYR A 111
 None
 1.43A 3apwA-4hfoA:
12.0		 3apwA-4hfoA:
20.85
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.
4itx CYSTATHIONINE
BETA-LYASE METC

(Escherichia
coli) 		PF01053
(Cys_Met_Meta_PP) 		5 PHE A 132
VAL A 151
ILE A 182
PHE A 194
PHE A 304
 None
 1.21A 3apwA-4itxA:
undetectable		 3apwA-4itxA:
16.92
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.
4m8j L-CARNITINE/GAMMA-BU
TYROBETAINE
ANTIPORTER

(Proteus
mirabilis) 		PF02028
(BCCT) 		5 TYR A 285
ILE A 374
PHE A 312
ALA A 136
SER A 289
 None
 1.44A 3apwA-4m8jA:
undetectable		 3apwA-4m8jA:
15.28
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.
4n91 TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Anaerococcus
prevotii) 		PF03480
(DctP) 		5 TYR A 157
PHE A 198
VAL A 201
ALA A 151
SER A 219
 None
BDP  A 402 ( 3.6A)
None
GCU  A 401 (-3.6A)
GCU  A 401 ( 4.6A)
 1.47A 3apwA-4n91A:
undetectable		 3apwA-4n91A:
19.32
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.
4nx1 C4-DICARBOXYLATE
TRANSPORT SYSTEM
SUBSTRATE-BINDING
PROTEIN

(Sulfitobacter
sp. NAS-14.1) 		PF03480
(DctP) 		5 PHE A  43
PHE A 211
GLU A 212
ALA A 216
TYR A 196
 X1X  A 401 (-4.7A)
None
None
None
X1X  A 401 (-3.7A)
 1.44A 3apwA-4nx1A:
undetectable		 3apwA-4nx1A:
18.37
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.
4pj3 INTRON-BINDING
PROTEIN AQUARIUS

(Homo sapiens) 		PF13086
(AAA_11)
PF13087
(AAA_12)
PF16399
(Aquarius_N) 		5 PHE A 123
VAL A 166
ILE A 170
PHE A 253
ALA A 130
 None
 1.34A 3apwA-4pj3A:
undetectable		 3apwA-4pj3A:
8.07
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.
4qiw DNA-DIRECTED RNA
POLYMERASE

(Thermococcus
kodakarensis) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		5 PHE B  41
TYR B  38
ILE B 407
GLU B 125
ALA B 134
 None
 1.35A 3apwA-4qiwB:
undetectable		 3apwA-4qiwB:
10.00
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.
4rxl MOLYBDENUM ABC
TRANSPORTER,
PERIPLASMIC
MOLYBDENUM-BINDING
PROTEIN

(Vibrio cholerae) 		PF13531
(SBP_bac_11) 		5 TYR A 191
ILE A 215
GLU A 250
ALA A  37
SER A  33
 WO4  A 301 (-4.5A)
None
None
None
WO4  A 301 (-2.4A)
 1.39A 3apwA-4rxlA:
undetectable		 3apwA-4rxlA:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tx7 CLASS I CHITINASE

(Vigna
unguiculata) 		PF00182
(Glyco_hydro_19) 		5 PHE A  73
VAL A 132
PHE A 105
ALA A  78
SER A 194
 None
 1.50A 3apwA-4tx7A:
undetectable		 3apwA-4tx7A:
20.16
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.
4u3a ENDOGLUCANASE H

(Ruminiclostridium
thermocellum) 		PF00150
(Cellulase) 		5 PHE A 115
VAL A 123
ILE A 125
GLU A  96
ALA A 360
 None
 1.34A 3apwA-4u3aA:
undetectable		 3apwA-4u3aA:
16.63
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.
4x84 RIBOSE-5-PHOSPHATE
ISOMERASE A

(Pseudomonas
aeruginosa) 		PF06026
(Rib_5-P_isom_A) 		5 PHE A 117
PHE A 202
ALA A 103
SER A  57
TYR A  83
 None
 1.46A 3apwA-4x84A:
undetectable		 3apwA-4x84A:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xyd NITRIC-OXIDE
REDUCTASE SUBUNIT B
NORC-LIKE PROTEIN

(Roseobacter
denitrificans) 		PF00034
(Cytochrom_C)
PF00115
(COX1) 		5 TYR A 416
PHE A 405
ILE A 412
ALA B  73
TYR A  34
 None
None
None
HEM  A 501 (-3.3A)
HEM  A 501 (-4.7A)
 1.37A 3apwA-4xydA:
undetectable		 3apwA-4xydA:
15.82
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.
5dl8 BENZOATE TRANSPORT
PORIN BENP

(Acinetobacter
baumannii) 		no annotation 5 TYR B 187
TYR B 137
VAL B 157
PHE B 236
TYR B 203
 None
 1.43A 3apwA-5dl8B:
undetectable		 3apwA-5dl8B:
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.
5ejs MYOSIN-I HEAVY CHAIN

(Dictyostelium
discoideum) 		PF00373
(FERM_M)
PF00784
(MyTH4)
PF09380
(FERM_C) 		5 ILE A1944
PHE A2050
GLU A2046
SER A2029
SER A1985
 None
 1.29A 3apwA-5ejsA:
undetectable		 3apwA-5ejsA:
16.53
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.
5fir 5'-3'
EXORIBONUCLEASE 2
HOMOLOG

(Caenorhabditis
elegans) 		PF03159
(XRN_N) 		5 TYR A 547
TYR A 568
VAL A 564
PHE A 403
TYR A 546
 None
 1.45A 3apwA-5firA:
undetectable		 3apwA-5firA:
14.62
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.
5gxu NADPH--CYTOCHROME
P450 REDUCTASE 2

(Arabidopsis
thaliana) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		5 TYR A 346
VAL A 352
ILE A 546
ALA A 500
SER A 495
 None
 1.35A 3apwA-5gxuA:
undetectable		 3apwA-5gxuA:
14.75
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.
5hsi PUTATIVE
DECARBOXYLASE

(Lactobacillus
brevis) 		PF00282
(Pyridoxal_deC) 		5 TYR A 334
ILE A 388
ALA A 451
SER A 448
TYR A 463
 None
 1.48A 3apwA-5hsiA:
undetectable		 3apwA-5hsiA:
13.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kbe MOPR

(Acinetobacter
calcoaceticus) 		PF02830
(V4R)
PF06505
(XylR_N) 		5 TYR A 176
PHE A  99
ILE A 191
ALA A  83
SER A 166
 IPH  A 602 (-4.8A)
IPH  A 602 ( 4.8A)
None
None
IPH  A 602 (-3.6A)
 1.07A 3apwA-5kbeA:
undetectable		 3apwA-5kbeA:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l7k PROTEIN UNC-119
HOMOLOG A

(Homo sapiens) 		PF05351
(GMP_PDE_delta) 		5 ILE A 105
PHE A 133
PHE A 137
SER A 218
TYR A 131
 None
 1.47A 3apwA-5l7kA:
undetectable		 3apwA-5l7kA:
23.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nfb GALECTIN-3

(Homo sapiens) 		PF00337
(Gal-bind_lectin) 		5 PHE A 157
VAL A 211
PHE A 190
PHE A 163
ALA A 146
 None
 1.50A 3apwA-5nfbA:
undetectable		 3apwA-5nfbA:
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.
5o0s GLUCOSYLCERAMIDASE

(Thermoanaerobacterium
xylanolyticum) 		PF04685
(DUF608)
PF12215
(Glyco_hydr_116N)
PF17168
(DUF5127) 		5 TYR A 161
ILE A  48
PHE A 111
PHE A 213
SER A  92
 None
 1.31A 3apwA-5o0sA:
undetectable		 3apwA-5o0sA:
13.26
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.
5tem 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
REDUCTASE

(Vibrio
vulnificus) 		no annotation 5 PHE C 257
VAL C 119
ILE C  95
PHE C  75
TYR C 125
 None
None
None
NAD  C1001 (-4.5A)
NAD  C1001 (-4.8A)
 1.48A 3apwA-5temC:
undetectable		 3apwA-5temC:
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.
5ud0 FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Helicobacter
pylori) 		no annotation 5 TYR A 171
VAL A 208
ILE A 249
ALA A  78
SER A 100
 None
 1.34A 3apwA-5ud0A:
undetectable		 3apwA-5ud0A:
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.
5uf2 RIBOSE-5-PHOSPHATE
ISOMERASE A

(Neisseria
gonorrhoeae) 		PF06026
(Rib_5-P_isom_A) 		5 PHE A 114
PHE A 199
ALA A 100
SER A  54
TYR A  80
 None
None
NA  A 301 (-3.9A)
None
None
 1.38A 3apwA-5uf2A:
undetectable		 3apwA-5uf2A:
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.
5vzt F-BOX ONLY PROTEIN
31

(Homo sapiens) 		no annotation 5 TYR B 509
VAL B 344
PHE B 491
PHE B 446
SER B 507
 None
None
None
None
DTT  B 602 ( 4.9A)
 1.44A 3apwA-5vztB:
3.4		 3apwA-5vztB:
17.20
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.
5xep CHITINASE-3-LIKE
PROTEIN 1

(Mus musculus) 		no annotation 5 TYR A  27
VAL A  25
ALA A 139
SER A  96
SER A 176
 None
 1.35A 3apwA-5xepA:
undetectable		 3apwA-5xepA:
18.62
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.
6b2y SOLUTE-BINDING
PERIPLASMIC PROTEIN
OF IRON/SIDEROPHORE
ABC TRANSPORTER

(Yersinia pestis) 		no annotation 5 PHE A  28
PHE A  50
ALA A 257
SER A 339
TYR A  61
 None
None
None
None
NA  A 401 (-4.3A)
 1.28A 3apwA-6b2yA:
undetectable		 3apwA-6b2yA:
19.04
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.
6cr0 (S)-6-HYDROXYNICOTIN
E OXIDASE

(Shinella sp.
HZN7) 		no annotation 5 VAL A  10
ILE A  33
GLU A  35
ALA A 418
SER A 421
 None
None
FAD  A 507 (-2.7A)
FAD  A 507 (-3.4A)
None
 1.32A 3apwA-6cr0A:
undetectable		 3apwA-6cr0A:
18.03
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.
6ey4 GLDM

(Flavobacterium
johnsoniae) 		no annotation 5 VAL A 218
ILE A 164
PHE A 172
SER A  86
TYR A 147
 None
 1.19A 3apwA-6ey4A:
undetectable		 3apwA-6ey4A:
14.95
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.
6f74 ALCOHOL OXIDASE

(Thermothelomyces
thermophila) 		no annotation 5 TYR A 419
TYR A 352
PHE A 253
ALA A 350
TYR A 415
 None
 1.46A 3apwA-6f74A:
undetectable		 3apwA-6f74A:
17.37