SIMILAR PATTERNS OF AMINO ACIDS FOR 2A3A_B_TEPB2434

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.
1a87 COLICIN N

(Escherichia
coli) 		PF01024
(Colicin) 		3 TRP A 270
THR A 362
TYR A 365
 None
 1.25A 2a3aB-1a87A:
undetectable		 2a3aB-1a87A:
22.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cja PROTEIN
(ACTIN-FRAGMIN
KINASE)

(Physarum
polycephalum) 		PF09192
(Act-Frag_cataly) 		3 TRP A  66
THR A  90
TYR A  58
 None
 1.09A 2a3aB-1cjaA:
undetectable		 2a3aB-1cjaA:
23.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1d2k CHITINASE 1

(Coccidioides
immitis) 		PF00704
(Glyco_hydro_18) 		3 TRP A  47
THR A 132
TYR A 133
 None
 0.33A 2a3aB-1d2kA:
65.4		 2a3aB-1d2kA:
59.82
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.
1eom ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE F3

(Elizabethkingia
meningoseptica) 		PF00704
(Glyco_hydro_18) 		3 TRP A 151
THR A 146
TYR A 226
 None
 0.82A 2a3aB-1eomA:
18.7		 2a3aB-1eomA:
22.87
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.
1gju MALTODEXTRIN
GLYCOSYLTRANSFERASE

(Thermotoga
maritima) 		PF00128
(Alpha-amylase)
PF09083
(DUF1923) 		3 TRP A 545
THR A 501
TYR A  87
 None
 1.23A 2a3aB-1gjuA:
5.2		 2a3aB-1gjuA:
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.
1i71 APOLIPOPROTEIN(A)

(Homo sapiens) 		PF00051
(Kringle) 		3 TRP A  32
THR A  36
TYR A  39
 None
 0.76A 2a3aB-1i71A:
undetectable		 2a3aB-1i71A:
8.76
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.
1l1f GLUTAMATE
DEHYDROGENASE 1

(Homo sapiens) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		3 TRP A 182
THR A 175
TYR A  99
 None
 0.70A 2a3aB-1l1fA:
undetectable		 2a3aB-1l1fA:
19.74
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.
1mvl PPC DECARBOXYLASE
ATHAL3A

(Arabidopsis
thaliana) 		PF02441
(Flavoprotein) 		3 TRP A  96
THR A  70
TYR A  72
 None
 1.22A 2a3aB-1mvlA:
undetectable		 2a3aB-1mvlA:
20.27
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.
1r30 BIOTIN SYNTHASE

(Escherichia
coli) 		PF04055
(Radical_SAM)
PF06968
(BATS) 		3 TRP A 102
THR A 130
TYR A 150
 None
SAM  A 501 ( 4.0A)
None
 1.26A 2a3aB-1r30A:
8.5		 2a3aB-1r30A:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ry2 ACETYL-COENZYME A
SYNTHETASE 1

(Saccharomyces
cerevisiae) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		3 TRP A 365
THR A 359
TYR A 411
 None
 1.06A 2a3aB-1ry2A:
undetectable		 2a3aB-1ry2A:
20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ukv GTP-BINDING PROTEIN
YPT1

(Saccharomyces
cerevisiae) 		PF00071
(Ras) 		3 TRP Y 102
THR Y  64
TYR Y  77
 None
 1.14A 2a3aB-1ukvY:
3.4		 2a3aB-1ukvY:
19.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1wno CHITINASE

(Aspergillus
fumigatus) 		PF00704
(Glyco_hydro_18) 		3 TRP A  14
THR A 100
TYR A 101
 None
 0.22A 2a3aB-1wnoA:
70.1		 2a3aB-1wnoA:
99.75
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.
1xf1 C5A PEPTIDASE

(Streptococcus
pyogenes) 		PF00082
(Peptidase_S8)
PF02225
(PA)
PF06280
(fn3_5)
PF13585
(CHU_C) 		3 TRP A 650
THR A 627
TYR A 564
 None
 1.26A 2a3aB-1xf1A:
2.3		 2a3aB-1xf1A:
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.
1xl8 PEROXISOMAL
CARNITINE
O-OCTANOYLTRANSFERAS
E

(Mus musculus) 		PF00755
(Carn_acyltransf) 		3 TRP A  85
THR A 441
TYR A 439
 152  A 613 (-4.7A)
152  A 613 (-2.8A)
152  A 613 (-4.3A)
 1.23A 2a3aB-1xl8A:
undetectable		 2a3aB-1xl8A:
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.
1z2a RAS-RELATED PROTEIN
RAB-23

(Mus musculus) 		PF00071
(Ras) 		3 TRP A 103
THR A  65
TYR A  78
 None
 1.08A 2a3aB-1z2aA:
2.8		 2a3aB-1z2aA:
18.11
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.
2a5j RAS-RELATED PROTEIN
RAB-2B

(Homo sapiens) 		PF00071
(Ras) 		3 TRP A 105
THR A  67
TYR A  80
 None
 1.03A 2a3aB-2a5jA:
3.5		 2a3aB-2a5jA:
17.09
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.
2glo BRINKER CG9653-PA

(Drosophila
melanogaster) 		PF09607
(BrkDBD) 		3 TRP A  87
THR A  73
TYR A  77
 None
 1.13A 2a3aB-2gloA:
undetectable		 2a3aB-2gloA:
8.31
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.
2jgz G2/MITOTIC-SPECIFIC
CYCLIN-B1

(Homo sapiens) 		PF00134
(Cyclin_N)
PF02984
(Cyclin_C) 		3 TRP B 208
THR B 276
TYR B 277
 None
 0.75A 2a3aB-2jgzB:
undetectable		 2a3aB-2jgzB:
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.
2k60 PROTEIN (STROMAL
INTERACTION MOLECULE
1)

(Homo sapiens) 		PF07647
(SAM_2) 		3 TRP A 132
THR A 143
TYR A 144
 None
 1.25A 2a3aB-2k60A:
undetectable		 2a3aB-2k60A:
16.55
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.
2kl2 AIG2-LIKE
DOMAIN-CONTAINING
PROTEIN 1

(Mus musculus) 		PF06094
(GGACT) 		3 TRP A 124
THR A 117
TYR A  88
 None
 1.11A 2a3aB-2kl2A:
undetectable		 2a3aB-2kl2A:
14.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2mqi TYROSINE-PROTEIN
KINASE FYN

(Homo sapiens) 		PF00017
(SH2) 		3 TRP A 149
THR A 223
TYR A 213
 None
 1.14A 2a3aB-2mqiA:
undetectable		 2a3aB-2mqiA:
12.77
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.
2n1b GTP-BINDING NUCLEAR
PROTEIN RAN

(Homo sapiens) 		PF00071
(Ras) 		3 TRP A 104
THR A  66
TYR A  79
 None
 1.22A 2a3aB-2n1bA:
undetectable		 2a3aB-2n1bA:
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.
2o52 RAS-RELATED PROTEIN
RAB-4B

(Homo sapiens) 		PF00071
(Ras) 		3 TRP A 102
THR A  64
TYR A  77
 None
 1.03A 2a3aB-2o52A:
3.3		 2a3aB-2o52A:
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.
2q1f CHONDROITINASE

(Bacteroides
thetaiotaomicron) 		PF02278
(Lyase_8)
PF09092
(Lyase_N)
PF09093
(Lyase_catalyt) 		3 TRP A 783
THR A 799
TYR A 801
 None
 1.04A 2a3aB-2q1fA:
undetectable		 2a3aB-2q1fA:
18.05
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.
2xfg ENDOGLUCANASE 1

(Ruminiclostridium
thermocellum) 		PF00759
(Glyco_hydro_9) 		3 TRP A 260
THR A 152
TYR A 199
 None
CA  A1447 ( 4.7A)
None
 1.20A 2a3aB-2xfgA:
undetectable		 2a3aB-2xfgA:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xyd ANGIOTENSIN-CONVERTI
NG ENZYME

(Homo sapiens) 		PF01401
(Peptidase_M2) 		3 TRP A 198
THR A 179
TYR A 175
 None
 1.20A 2a3aB-2xydA:
undetectable		 2a3aB-2xydA:
23.09
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.
2y32 BLR5658 PROTEIN

(Bradyrhizobium
japonicum) 		PF01382
(Avidin) 		3 TRP A   5
THR A  58
TYR A  53
 None
 0.98A 2a3aB-2y32A:
undetectable		 2a3aB-2y32A:
16.34
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.
2y4l MANNOSYLGLYCERATE
SYNTHASE

(Rhodothermus
marinus) 		no annotation 3 TRP A 344
THR A 274
TYR A 269
 None
 1.03A 2a3aB-2y4lA:
undetectable		 2a3aB-2y4lA:
20.47
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.
3cmg PUTATIVE
BETA-GALACTOSIDASE

(Bacteroides
fragilis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		3 TRP A 604
THR A 559
TYR A 511
 None
 0.89A 2a3aB-3cmgA:
5.1		 2a3aB-3cmgA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cph RAS-RELATED PROTEIN
SEC4

(Saccharomyces
cerevisiae) 		PF00071
(Ras) 		3 TRP A 114
THR A  76
TYR A  89
 None
 1.07A 2a3aB-3cphA:
3.2		 2a3aB-3cphA:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cpj GTP-BINDING PROTEIN
YPT31/YPT8

(Saccharomyces
cerevisiae) 		PF00071
(Ras) 		3 TRP B 107
THR B  69
TYR B  82
 None
 1.16A 2a3aB-3cpjB:
3.2		 2a3aB-3cpjB:
18.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ctm CARBONYL REDUCTASE

(Candida
parapsilosis) 		PF13561
(adh_short_C2) 		3 TRP A  48
THR A  80
TYR A  81
 None
 1.04A 2a3aB-3ctmA:
3.9		 2a3aB-3ctmA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f44 PUTATIVE
MONOOXYGENASE

(Lactobacillus
acidophilus) 		PF03992
(ABM) 		3 TRP A 165
THR A 193
TYR A 189
 None
 1.17A 2a3aB-3f44A:
undetectable		 2a3aB-3f44A:
21.38
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.
3f5x CYCLIN-A2

(Homo sapiens) 		PF00134
(Cyclin_N)
PF02984
(Cyclin_C) 		3 TRP B 217
THR B 285
TYR B 286
 None
 0.64A 2a3aB-3f5xB:
undetectable		 2a3aB-3f5xB:
22.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ib3 COCE/NOND FAMILY
HYDROLASE

(Staphylococcus
aureus) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C) 		3 TRP A 138
THR A 218
TYR A 214
 None
 1.04A 2a3aB-3ib3A:
undetectable		 2a3aB-3ib3A:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ics COENZYME A-DISULFIDE
REDUCTASE

(Bacillus
anthracis) 		PF00581
(Rhodanese)
PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		3 TRP A 303
THR A 327
TYR A 324
 None
 1.19A 2a3aB-3icsA:
undetectable		 2a3aB-3icsA:
22.98
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.
3kv4 PHD FINGER PROTEIN 8

(Homo sapiens) 		PF00628
(PHD)
PF02373
(JmjC) 		3 TRP A 282
THR A  82
TYR A 243
 None
 1.16A 2a3aB-3kv4A:
undetectable		 2a3aB-3kv4A:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lho PUTATIVE HYDROLASE

(Shewanella
frigidimarina) 		PF07063
(DUF1338) 		3 TRP A 154
THR A  20
TYR A  16
 None
 1.13A 2a3aB-3lhoA:
undetectable		 2a3aB-3lhoA:
20.63
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.
3lnp AMIDOHYDROLASE
FAMILY PROTEIN
OLEI01672_1_465

(Oleispira
antarctica) 		PF01979
(Amidohydro_1) 		3 TRP A 115
THR A 220
TYR A 219
 None
 0.57A 2a3aB-3lnpA:
6.9		 2a3aB-3lnpA:
20.74
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.
3meb ASPARTATE
AMINOTRANSFERASE

(Giardia
intestinalis) 		PF00155
(Aminotran_1_2) 		3 TRP A 203
THR A 171
TYR A 155
 EDO  A 506 (-4.3A)
None
None
 1.03A 2a3aB-3mebA:
undetectable		 2a3aB-3mebA:
21.93
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.
3nbh RECQ-MEDIATED GENOME
INSTABILITY PROTEIN
1
RECQ-MEDIATED GENOME
INSTABILITY PROTEIN
2

(Homo sapiens) 		PF16099
(RMI1_C)
PF16100
(RMI2) 		3 TRP B  59
THR A 538
TYR A 493
 None
 1.21A 2a3aB-3nbhB:
undetectable		 2a3aB-3nbhB:
17.63
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.
3ncy ADIC

(Salmonella
enterica) 		PF13520
(AA_permease_2) 		3 TRP A 202
THR A 361
TYR A 365
 None
 1.18A 2a3aB-3ncyA:
undetectable		 2a3aB-3ncyA:
24.50
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.
3no5 UNCHARACTERIZED
PROTEIN

(Cupriavidus
pinatubonensis) 		PF05853
(BKACE) 		3 TRP A 128
THR A 135
TYR A 136
 None
 0.96A 2a3aB-3no5A:
7.0		 2a3aB-3no5A:
21.08
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.
3op7 AMINOTRANSFERASE
CLASS I AND II

(Streptococcus
suis) 		PF00155
(Aminotran_1_2) 		3 TRP A 232
THR A 222
TYR A 223
 None
LLP  A 221 ( 4.3A)
None
 1.14A 2a3aB-3op7A:
undetectable		 2a3aB-3op7A:
21.54
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.
3sy9 HISTIDINE PORIN OPDC

(Pseudomonas
aeruginosa) 		PF03573
(OprD) 		3 TRP A 217
THR A 285
TYR A 354
 None
 1.24A 2a3aB-3sy9A:
undetectable		 2a3aB-3sy9A:
21.67
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.
3syj ADHESION AND
PENETRATION PROTEIN
AUTOTRANSPORTER

(Haemophilus
influenzae) 		PF02395
(Peptidase_S6)
PF03212
(Pertactin) 		3 TRP A 257
THR A 208
TYR A 231
 None
 1.25A 2a3aB-3syjA:
undetectable		 2a3aB-3syjA:
18.22
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.
4a39 METALLO-CARBOXYPEPTI
DASE

(Pseudomonas
aeruginosa) 		PF00246
(Peptidase_M14) 		3 TRP A 230
THR A 326
TYR A 327
 None
 1.21A 2a3aB-4a39A:
undetectable		 2a3aB-4a39A:
21.24
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.
4bbo BLR5658 PROTEIN

(Bradyrhizobium
japonicum) 		PF01382
(Avidin) 		3 TRP A   5
THR A  58
TYR A  53
 GOL  A1114 (-3.8A)
GOL  A1114 ( 4.5A)
None
 1.16A 2a3aB-4bboA:
undetectable		 2a3aB-4bboA:
14.99
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.
4bvw APOLIPOPROTEIN(A)

(Homo sapiens) 		PF00051
(Kringle) 		3 TRP A  32
THR A  36
TYR A  39
 None
 0.80A 2a3aB-4bvwA:
undetectable		 2a3aB-4bvwA:
9.89
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.
4bzi SEC23P

(Saccharomyces
cerevisiae) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		3 TRP A 551
THR A 587
TYR A 583
 None
 1.04A 2a3aB-4bziA:
2.4		 2a3aB-4bziA:
20.91
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.
4c2t DNA HELICASE II

(Deinococcus
radiodurans) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		3 TRP A  88
THR A 102
TYR A 103
 None
 1.07A 2a3aB-4c2tA:
undetectable		 2a3aB-4c2tA:
20.45
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.
4c90 ALPHA-GLUCURONIDASE
GH115

(Bacteroides
ovatus) 		PF15979
(Glyco_hydro_115) 		3 TRP A 172
THR A 218
TYR A 219
 None
 1.07A 2a3aB-4c90A:
9.7		 2a3aB-4c90A:
19.90
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.
4ce7 UNSATURATED
3S-RHAMNOGLYCURONYL
HYDROLASE

(Nonlabens
ulvanivorans) 		PF07470
(Glyco_hydro_88) 		3 TRP A  31
THR A 348
TYR A  50
 None
 1.10A 2a3aB-4ce7A:
undetectable		 2a3aB-4ce7A:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cvq GLUTAMATE-PYRUVATE
AMINOTRANSFERASE
ALAA

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		3 TRP A 251
THR A 241
TYR A 242
 None
 0.81A 2a3aB-4cvqA:
undetectable		 2a3aB-4cvqA:
23.58
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.
4djt GTP-BINDING NUCLEAR
PROTEIN GSP1

(Encephalitozoon
cuniculi) 		PF00071
(Ras) 		3 TRP A 102
THR A  64
TYR A  77
 None
 1.17A 2a3aB-4djtA:
undetectable		 2a3aB-4djtA:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4doe 1,4-BETA-GLUCANASE

(Caldicellulosiruptor
bescii) 		PF00759
(Glyco_hydro_9) 		3 TRP A 281
THR A 173
TYR A 220
 CT3  A 504 ( 4.0A)
CA  A 502 ( 4.5A)
None
 1.20A 2a3aB-4doeA:
undetectable		 2a3aB-4doeA:
23.38
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.
4dyk AMIDOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01979
(Amidohydro_1) 		3 TRP A  98
THR A 198
TYR A 197
 None
 0.55A 2a3aB-4dykA:
6.7		 2a3aB-4dykA:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dzh AMIDOHYDROLASE

(Xanthomonas
campestris) 		PF01979
(Amidohydro_1) 		3 TRP A 104
THR A 204
TYR A 203
 None
 0.41A 2a3aB-4dzhA:
6.3		 2a3aB-4dzhA:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j3z MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Jannaschia sp.
CCS1) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 TRP A 318
THR A 130
TYR A 162
 None
 0.97A 2a3aB-4j3zA:
6.5		 2a3aB-4j3zA:
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.
4kma GM14141P

(Drosophila
melanogaster) 		PF05076
(SUFU)
PF12470
(SUFU_C) 		3 TRP A  45
THR A  39
TYR A  54
 None
 1.01A 2a3aB-4kmaA:
undetectable		 2a3aB-4kmaA:
20.98
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.
4lh7 DNA LIGASE

(Enterococcus
faecalis) 		PF01653
(DNA_ligase_aden) 		3 TRP A 310
THR A 228
TYR A 227
 None
None
1X8  A 401 (-3.6A)
 1.18A 2a3aB-4lh7A:
undetectable		 2a3aB-4lh7A:
21.90
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.
4lnp SORBIN AND SH3
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF07653
(SH3_2) 		3 TRP A 830
THR A 845
TYR A 846
 None
 1.20A 2a3aB-4lnpA:
undetectable		 2a3aB-4lnpA:
10.06
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.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		3 TRP A 142
THR A 139
TYR A 154
 None
ACT  A 206 (-4.3A)
None
 1.26A 2a3aB-4m2xA:
undetectable		 2a3aB-4m2xA:
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.
4mgg MUCONATE LACTONIZING
ENZYME

(Labrenzia
aggregata) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 TRP A 295
THR A 320
TYR A 136
 None
 1.18A 2a3aB-4mggA:
5.9		 2a3aB-4mggA:
22.44
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.
4n0r PUTATIVE GLYCOSIDE
HYDROLASE

(Bacteroides
vulgatus) 		PF13204
(DUF4038)
PF16586
(DUF5060) 		3 TRP A 365
THR A 137
TYR A 139
 UNL  A 601 ( 3.7A)
None
UNL  A 601 ( 4.7A)
 1.21A 2a3aB-4n0rA:
5.6		 2a3aB-4n0rA:
21.83
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.
4q4y COXSACKIEVIRUS
CAPSID PROTEIN VP1
COXSACKIEVIRUS
CAPSID PROTEIN VP2

(Enterovirus C) 		PF00073
(Rhv) 		3 TRP 2 226
THR 1 128
TYR 1 129
 None
 1.26A 2a3aB-4q4y2:
undetectable		 2a3aB-4q4y2:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qi4 CELLOBIOSE
DEHYDROGENASE

(Crassicarpon
hotsonii) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C) 		3 TRP A 325
THR A 421
TYR A 422
 None
 0.62A 2a3aB-4qi4A:
undetectable		 2a3aB-4qi4A:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qi6 CELLOBIOSE
DEHYDROGENASE

(Crassicarpon
hotsonii) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C)
PF16010
(CDH-cyt) 		3 TRP A 325
THR A 421
TYR A 422
 None
 0.69A 2a3aB-4qi6A:
undetectable		 2a3aB-4qi6A:
20.02
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.
4qi7 CELLOBIOSE
DEHYDROGENASE

(Neurospora
crassa) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C)
PF16010
(CDH-cyt) 		3 TRP A 325
THR A 421
TYR A 422
 None
 0.67A 2a3aB-4qi7A:
undetectable		 2a3aB-4qi7A:
21.09
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.
4r81 NADH DEHYDROGENASE

(Methanothermobacter
marburgensis) 		PF02525
(Flavodoxin_2) 		3 TRP A 100
THR A 106
TYR A 109
 None
 0.94A 2a3aB-4r81A:
2.9		 2a3aB-4r81A:
17.73
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.
4rft COAT PROTEIN

(Redspotted
grouper nervous
necrosis virus) 		no annotation 3 TRP A 152
THR A  72
TYR A  77
 None
 1.18A 2a3aB-4rftA:
undetectable		 2a3aB-4rftA:
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.
4rk2 PUTATIVE SUGAR ABC
TRANSPORTER,
SUBSTRATE-BINDING
PROTEIN

(Rhizobium etli) 		PF01547
(SBP_bac_1) 		3 TRP A  37
THR A  45
TYR A  47
 None
 0.89A 2a3aB-4rk2A:
undetectable		 2a3aB-4rk2A:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Pisum sativum) 		PF00223
(PsaA_PsaB) 		3 TRP B 596
THR B 614
TYR B 615
 None
 0.98A 2a3aB-4rkuB:
undetectable		 2a3aB-4rkuB:
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.
4tkt AT-LESS POLYKETIDE
SYNTHASE

(Streptomyces
platensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		3 TRP A3200
THR A3196
TYR A3197
 None
 0.99A 2a3aB-4tktA:
undetectable		 2a3aB-4tktA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ur2 TETRACHLOROETHENE
REDUCTIVE
DEHALOGENASE
CATALYTIC SUBUNIT
PCEA

(Sulfurospirillum
multivorans) 		PF13484
(Fer4_16)
PF13486
(Dehalogenase) 		3 TRP A 376
THR A 242
TYR A 246
 BVQ  A 503 (-4.2A)
BVQ  A 503 (-3.6A)
BVQ  A 503 (-4.2A)
 1.09A 2a3aB-4ur2A:
undetectable		 2a3aB-4ur2A:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uwq SULFUR OXIDATION
PROTEIN SOXB

(Thermus
thermophilus) 		PF02872
(5_nucleotid_C) 		3 TRP A 417
THR A 439
TYR A 440
 None
 0.84A 2a3aB-4uwqA:
undetectable		 2a3aB-4uwqA:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wzz PUTATIVE SUGAR ABC
TRANSPORTER,
SUBSTRATE-BINDING
PROTEIN

(Lachnoclostridium
phytofermentans) 		PF13407
(Peripla_BP_4) 		3 TRP A 192
THR A 245
TYR A  64
 None
RAM  A 401 (-3.1A)
RAM  A 401 (-3.1A)
 1.22A 2a3aB-4wzzA:
2.2		 2a3aB-4wzzA:
23.79
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.
4xpr ALPHA-GLUCOSIDASE

(Pseudopedobacter
saltans) 		PF01055
(Glyco_hydro_31)
PF17137
(DUF5110) 		3 TRP A 455
THR A 131
TYR A 123
 None
 0.91A 2a3aB-4xprA:
3.6		 2a3aB-4xprA:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zg7 ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2

(Homo sapiens) 		PF01033
(Somatomedin_B)
PF01223
(Endonuclease_NS)
PF01663
(Phosphodiest) 		3 TRP A 713
THR A 632
TYR A 634
 None
 1.20A 2a3aB-4zg7A:
undetectable		 2a3aB-4zg7A:
19.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bnn CAPSID PROTEIN VP1
CAPSID PROTEIN VP2

(Enterovirus D) 		PF00073
(Rhv) 		3 TRP B 207
THR A 111
TYR A 112
 None
 1.24A 2a3aB-5bnnB:
undetectable		 2a3aB-5bnnB:
18.91
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.
5czw MYROILYSIN

(Myroides
profundi) 		PF01400
(Astacin) 		3 TRP A 179
THR A 191
TYR A 192
 None
 1.15A 2a3aB-5czwA:
undetectable		 2a3aB-5czwA:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gzy (R)-2-HALOACID
DEHALOGENASE

(Pseudomonas
putida) 		PF10778
(DehI) 		3 TRP A  67
THR A  53
TYR A 134
 None
None
2OP  A 401 ( 4.6A)
 1.23A 2a3aB-5gzyA:
undetectable		 2a3aB-5gzyA:
23.91
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.
5had PROTEIN ACCUMULATION
AND REPLICATION OF
CHLOROPLASTS 6,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF13355
(DUF4101) 		3 TRP A 715
THR A 780
TYR A 778
 EDO  A 903 (-3.7A)
EDO  A 901 ( 4.5A)
EDO  A 901 (-4.3A)
 1.23A 2a3aB-5hadA:
undetectable		 2a3aB-5hadA:
16.55
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.
5l7v GLYCOSIDE HYDROLASE

(Bacteroides
vulgatus) 		PF13320
(DUF4091) 		3 TRP A 448
THR A 428
TYR A 426
 None
 0.96A 2a3aB-5l7vA:
8.0		 2a3aB-5l7vA:
21.54
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.
5m8b ALPHA-L-ARABINOFURAN
OSIDASE II

(Lactobacillus
brevis) 		PF04616
(Glyco_hydro_43) 		3 TRP A  86
THR A  31
TYR A  19
 None
 1.09A 2a3aB-5m8bA:
undetectable		 2a3aB-5m8bA:
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.
5ncc FATTY ACID
PHOTODECARBOXYLASE

(Chlorella
variabilis) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		3 TRP A 479
THR A 131
TYR A 466
 PLM  A 702 ( 4.6A)
None
PLM  A 702 (-4.2A)
 1.11A 2a3aB-5nccA:
undetectable		 2a3aB-5nccA:
23.62
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.
5oee LARGE SUBUNIT
TERMINASE

(Phage D6E) 		no annotation 3 TRP A 275
THR A 375
TYR A 379
 None
 1.18A 2a3aB-5oeeA:
undetectable		 2a3aB-5oeeA:
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.
5ogl UNDECAPRENYL-DIPHOSP
HOOLIGOSACCHARIDE--P
ROTEIN
GLYCOTRANSFERASE

(Campylobacter
lari) 		no annotation 3 TRP A  34
THR A 108
TYR A 105
 None
 0.95A 2a3aB-5oglA:
undetectable		 2a3aB-5oglA:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oie -

(-) 		no annotation 3 TRP A 158
THR A 172
TYR A 174
 None
 1.15A 2a3aB-5oieA:
undetectable		 2a3aB-5oieA:
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.
5oup PERFORIN-LIKE
PROTEIN 1

(Toxoplasma
gondii) 		no annotation 3 TRP A 754
THR A 734
TYR A 677
 None
 0.80A 2a3aB-5oupA:
undetectable		 2a3aB-5oupA:
12.09
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.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Synechocystis
sp. PCC 6803) 		no annotation 3 TRP b 593
THR b 611
TYR b 612
 None
 1.14A 2a3aB-5oy0b:
undetectable		 2a3aB-5oy0b:
10.07
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.
5ub8 LIKELY RAB FAMILY
GTP-BINDING PROTEIN

(Candida
albicans) 		PF00071
(Ras) 		3 TRP A 109
THR A  71
TYR A  84
 None
 1.20A 2a3aB-5ub8A:
3.2		 2a3aB-5ub8A:
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.
5utv PAPAIN-LIKE
PROTEINASE

(Rousettus bat
coronavirus
HKU9) 		no annotation 3 TRP A  21
THR A  37
TYR A  45
 None
 1.13A 2a3aB-5utvA:
undetectable		 2a3aB-5utvA:
10.43
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.
5vem ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 5

(Homo sapiens) 		PF01663
(Phosphodiest) 		3 TRP A 124
THR A  81
TYR A  77
 None
 1.18A 2a3aB-5vemA:
undetectable		 2a3aB-5vemA:
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.
5wp6 TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY M
MEMBER 4

(Homo sapiens) 		no annotation 3 TRP A 152
THR A 107
TYR A 103
 None
 1.04A 2a3aB-5wp6A:
undetectable		 2a3aB-5wp6A:
12.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xc3 PROBABLE RAB-RELATED
GTPASE

(Acanthamoeba
polyphaga
mimivirus) 		no annotation 3 TRP A 100
THR A  62
TYR A  75
 None
 1.14A 2a3aB-5xc3A:
3.2		 2a3aB-5xc3A:
18.82
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.
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomonas
mexicana) 		no annotation 3 TRP A 612
THR A 735
TYR A 732
 None
 1.22A 2a3aB-5yp3A:
undetectable		 2a3aB-5yp3A:
16.49
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.
5zc3 -

(-) 		no annotation 3 TRP B 206
THR B 231
TYR B 232
 None
 0.77A 2a3aB-5zc3B:
undetectable		 2a3aB-5zc3B:
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.
6bk1 UDP-GLYCOSYLTRANSFER
ASE 79

(Oryza sativa) 		no annotation 3 TRP A 364
THR A 388
TYR A 392
 None
 1.12A 2a3aB-6bk1A:
3.1		 2a3aB-6bk1A:
10.21
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.
6ekt P-47 PROTEIN

(Clostridium
botulinum) 		no annotation 3 TRP A 188
THR A 410
TYR A  31
 None
 1.24A 2a3aB-6ektA:
undetectable		 2a3aB-6ektA:
22.57