SIMILAR PATTERNS OF AMINO ACIDS FOR 4RJD_B_TFPB204

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.
1boo PROTEIN (N-4
CYTOSINE-SPECIFIC
METHYLTRANSFERASE
PVU II)

(Proteus
vulgaris) 		PF01555
(N6_N4_Mtase) 		4 LEU A 281
GLY A 280
GLU A 284
ALA A  22
 None
 0.83A 4rjdA-1booA:
undetectable
4rjdB-1booA:
undetectable		 4rjdA-1booA:
11.26
4rjdB-1booA:
11.26
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.
1c8a PROTEIN (ANTIFREEZE
PROTEIN TYPE III)

(Pachycara
brachycephalum) 		no annotation 4 LEU A  51
GLY A  52
GLU A  25
ALA A  24
 None
 0.89A 4rjdA-1c8aA:
undetectable
4rjdB-1c8aA:
undetectable		 4rjdA-1c8aA:
20.90
4rjdB-1c8aA:
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.
1coy CHOLESTEROL OXIDASE

(Brevibacterium
sterolicum) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 GLY A 215
GLU A 216
GLU A 203
ALA A 204
 None
 0.81A 4rjdA-1coyA:
0.4
4rjdB-1coyA:
0.0		 4rjdA-1coyA:
7.69
4rjdB-1coyA:
7.69
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.
1dci DIENOYL-COA
ISOMERASE

(Rattus
norvegicus) 		PF00378
(ECH_1) 		4 GLU A 223
MET A 232
GLU A 235
ALA A 236
 None
 0.87A 4rjdA-1dciA:
undetectable
4rjdB-1dciA:
undetectable		 4rjdA-1dciA:
14.23
4rjdB-1dciA:
14.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ex9 LACTONIZING LIPASE

(Pseudomonas
aeruginosa) 		PF00561
(Abhydrolase_1) 		4 LEU A 156
GLY A 157
GLU A 160
MET A  16
 None
None
None
OCP  A 382 (-4.1A)
 0.86A 4rjdA-1ex9A:
undetectable
4rjdB-1ex9A:
undetectable		 4rjdA-1ex9A:
14.66
4rjdB-1ex9A:
14.66
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.
1ex9 LACTONIZING LIPASE

(Pseudomonas
aeruginosa) 		PF00561
(Abhydrolase_1) 		4 LEU A 156
GLY A 157
GLU A 165
ALA A 167
 None
 0.90A 4rjdA-1ex9A:
undetectable
4rjdB-1ex9A:
undetectable		 4rjdA-1ex9A:
14.66
4rjdB-1ex9A:
14.66
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.
1h7k CATALASE

(Proteus
mirabilis) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 GLY A 100
GLU A  98
GLU A 105
ALA A 104
 None
 0.84A 4rjdA-1h7kA:
undetectable
4rjdB-1h7kA:
0.0		 4rjdA-1h7kA:
10.50
4rjdB-1h7kA:
10.50
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.
1hci ALPHA-ACTININ 2

(Homo sapiens) 		PF00435
(Spectrin) 		4 LEU A 726
GLY A 723
GLU A 725
GLU A 718
 None
 0.76A 4rjdA-1hciA:
undetectable
4rjdB-1hciA:
undetectable		 4rjdA-1hciA:
9.83
4rjdB-1hciA:
9.83
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.
1id5 THROMBIN

(Bos taurus) 		PF00089
(Trypsin) 		4 LEU H 162
GLY H 133
GLU H 164
GLU H 186
 TRS  H 800 ( 4.9A)
None
None
None
 0.80A 4rjdA-1id5H:
undetectable
4rjdB-1id5H:
undetectable		 4rjdA-1id5H:
13.73
4rjdB-1id5H:
13.73
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.
1in0 YAJQ PROTEIN

(Haemophilus
influenzae) 		PF04461
(DUF520) 		4 LEU A 152
GLY A 153
GLU A 151
GLU A  75
 None
 0.89A 4rjdA-1in0A:
undetectable
4rjdB-1in0A:
undetectable		 4rjdA-1in0A:
17.09
4rjdB-1in0A:
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.
1lln ANTIVIRAL PROTEIN 3

(Phytolacca
americana) 		PF00161
(RIP) 		4 LEU A 130
GLY A 131
GLU A 203
ALA A 173
 None
 0.90A 4rjdA-1llnA:
undetectable
4rjdB-1llnA:
undetectable		 4rjdA-1llnA:
18.50
4rjdB-1llnA:
18.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1now BETA-HEXOSAMINIDASE
BETA CHAIN

(Homo sapiens) 		PF00728
(Glyco_hydro_20)
PF14845
(Glycohydro_20b2) 		5 LEU A 351
GLY A 352
GLU A 288
GLU A 485
GLU A 422
 None
 1.32A 4rjdA-1nowA:
undetectable
4rjdB-1nowA:
undetectable		 4rjdA-1nowA:
7.23
4rjdB-1nowA:
7.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1opk PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1

(Mus musculus) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		4 LEU A 395
GLY A 391
GLU A 392
ALA A 288
 None
GOL  A   3 (-4.9A)
GOL  A   3 (-4.5A)
P16  A   2 (-3.4A)
 0.88A 4rjdA-1opkA:
0.0
4rjdB-1opkA:
0.0		 4rjdA-1opkA:
12.43
4rjdB-1opkA:
12.43
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.
1pm2 RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE 1
BETA CHAIN

(Escherichia
coli) 		PF00268
(Ribonuc_red_sm) 		4 LEU A  82
GLU A 204
GLU A 115
ALA A 112
 None
MN  A 502 (-2.2A)
MN  A 502 ( 2.3A)
None
 0.89A 4rjdA-1pm2A:
0.0
4rjdB-1pm2A:
0.0		 4rjdA-1pm2A:
12.83
4rjdB-1pm2A:
12.83
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.
1qgr PROTEIN (IMPORTIN
BETA SUBUNIT)

(Homo sapiens) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		4 GLY A 100
GLU A 102
GLU A 152
ALA A 193
 None
 0.74A 4rjdA-1qgrA:
undetectable
4rjdB-1qgrA:
undetectable		 4rjdA-1qgrA:
6.05
4rjdB-1qgrA:
6.05
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.
1qor QUINONE
OXIDOREDUCTASE

(Escherichia
coli) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 LEU A  92
GLY A  93
GLU A  30
ALA A  24
 None
 0.74A 4rjdA-1qorA:
0.0
4rjdB-1qorA:
0.0		 4rjdA-1qorA:
12.29
4rjdB-1qorA:
12.29
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.
1qvr CLPB PROTEIN

(Thermus
thermophilus) 		PF00004
(AAA)
PF02861
(Clp_N)
PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		4 GLY A  96
GLU A 100
GLU A 117
ALA A 118
 None
 0.84A 4rjdA-1qvrA:
0.0
4rjdB-1qvrA:
0.0		 4rjdA-1qvrA:
5.41
4rjdB-1qvrA:
5.41
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.
1sj7 TALIN 1

(Mus musculus) 		PF09141
(Talin_middle) 		4 LEU A 651
GLY A 649
GLU A 650
ALA A 641
 None
 0.82A 4rjdA-1sj7A:
undetectable
4rjdB-1sj7A:
undetectable		 4rjdA-1sj7A:
19.42
4rjdB-1sj7A:
19.42
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.
1t35 HYPOTHETICAL PROTEIN
YVDD, PUTATIVE
LYSINE DECARBOXYLASE

(Bacillus
subtilis) 		PF03641
(Lysine_decarbox) 		4 LEU A  78
GLU A  80
MET A  94
ALA A  98
 None
 0.83A 4rjdA-1t35A:
undetectable
4rjdB-1t35A:
undetectable		 4rjdA-1t35A:
15.26
4rjdB-1t35A:
15.26
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.
1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT

(Pseudomonas
putida) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		4 LEU B 345
GLY B 346
GLU B 383
ALA B 751
 None
 0.89A 4rjdA-1t3qB:
undetectable
4rjdB-1t3qB:
undetectable		 4rjdA-1t3qB:
6.75
4rjdB-1t3qB:
6.75
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.
1x0l HOMOISOCITRATE
DEHYDROGENASE

(Thermus
thermophilus) 		PF00180
(Iso_dh) 		4 LEU A 183
GLY A 180
GLU A 119
ALA A 140
 None
 0.86A 4rjdA-1x0lA:
0.6
4rjdB-1x0lA:
undetectable		 4rjdA-1x0lA:
12.26
4rjdB-1x0lA:
12.26
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.
1x94 PUTATIVE
PHOSPHOHEPTOSE
ISOMERASE

(Vibrio cholerae) 		PF13580
(SIS_2) 		4 GLY A 166
GLU A   9
GLU A  12
ALA A  13
 None
 0.88A 4rjdA-1x94A:
undetectable
4rjdB-1x94A:
undetectable		 4rjdA-1x94A:
15.71
4rjdB-1x94A:
15.71
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.
1xi8 MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN

(Pyrococcus
furiosus) 		PF00994
(MoCF_biosynth)
PF03453
(MoeA_N)
PF03454
(MoeA_C) 		4 LEU A  40
GLY A 158
GLU A  25
GLU A  23
 None
 0.89A 4rjdA-1xi8A:
undetectable
4rjdB-1xi8A:
undetectable		 4rjdA-1xi8A:
11.17
4rjdB-1xi8A:
11.17
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.
1ydg TRP REPRESSOR
BINDING PROTEIN WRBA

(Deinococcus
radiodurans) 		PF03358
(FMN_red) 		4 LEU A 177
GLU A 178
GLU A  24
ALA A  25
 None
 0.79A 4rjdA-1ydgA:
undetectable
4rjdB-1ydgA:
undetectable		 4rjdA-1ydgA:
20.42
4rjdB-1ydgA:
20.42
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.
1z5y THIOL:DISULFIDE
INTERCHANGE PROTEIN
DSBE

(Escherichia
coli) 		PF08534
(Redoxin) 		4 LEU E 136
GLY E 135
GLU E 145
ALA E 143
 None
 0.80A 4rjdA-1z5yE:
undetectable
4rjdB-1z5yE:
undetectable		 4rjdA-1z5yE:
17.02
4rjdB-1z5yE:
17.02
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.
2ani RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
BETA SUBUNIT

(Chlamydia
trachomatis) 		PF00268
(Ribonuc_red_sm) 		4 LEU A 224
GLU A 120
GLU A  89
ALA A  88
 None
FE  A 347 ( 2.4A)
FE  A 348 (-2.2A)
None
 0.80A 4rjdA-2aniA:
undetectable
4rjdB-2aniA:
undetectable		 4rjdA-2aniA:
10.98
4rjdB-2aniA:
10.98
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.
2d2x 2-DEOXY-SCYLLO-INOSO
SE SYNTHASE

(Bacillus
circulans) 		PF01761
(DHQ_synthase) 		4 LEU A 105
GLY A 104
GLU A 253
ALA A 179
 CO  A 603 (-4.2A)
GOL  A 607 (-4.1A)
None
GOL  A 607 ( 4.8A)
 0.73A 4rjdA-2d2xA:
undetectable
4rjdB-2d2xA:
undetectable		 4rjdA-2d2xA:
10.31
4rjdB-2d2xA:
10.31
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.
2d4w GLYCEROL KINASE

(Cellulomonas
sp.) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 LEU A 428
GLY A 429
GLU A 482
MET A 476
 None
 0.86A 4rjdA-2d4wA:
undetectable
4rjdB-2d4wA:
undetectable		 4rjdA-2d4wA:
9.79
4rjdB-2d4wA:
9.79
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.
2dc0 PROBABLE AMIDASE

(Thermus
thermophilus) 		PF01425
(Amidase) 		4 LEU A  56
GLU A  55
GLU A  48
ALA A  45
 None
 0.89A 4rjdA-2dc0A:
undetectable
4rjdB-2dc0A:
undetectable		 4rjdA-2dc0A:
10.07
4rjdB-2dc0A:
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.
2gk1 BETA-HEXOSAMINIDASE
SUBUNIT BETA CHAIN A
BETA-HEXOSAMINIDASE
SUBUNIT BETA CHAIN B

(Homo sapiens) 		no annotation 5 LEU N 351
GLY N 352
GLU M 288
GLU N 485
GLU N 422
 None
 1.44A 4rjdA-2gk1N:
undetectable
4rjdB-2gk1N:
undetectable		 4rjdA-2gk1N:
13.30
4rjdB-2gk1N:
13.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hr2 HYPOTHETICAL PROTEIN

(Chlorobaculum
tepidum) 		PF12968
(DUF3856) 		4 LEU A  99
GLY A  97
GLU A  96
MET A 130
 None
 0.85A 4rjdA-2hr2A:
undetectable
4rjdB-2hr2A:
undetectable		 4rjdA-2hr2A:
18.30
4rjdB-2hr2A:
18.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hr7 INSULIN RECEPTOR

(Homo sapiens) 		PF00757
(Furin-like)
PF01030
(Recep_L_domain) 		4 LEU A  69
GLY A  68
GLU A  70
GLU A  44
 GOL  A 610 (-4.5A)
None
GOL  A 585 ( 3.8A)
None
 0.79A 4rjdA-2hr7A:
undetectable
4rjdB-2hr7A:
undetectable		 4rjdA-2hr7A:
9.35
4rjdB-2hr7A:
9.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iuj LIPOXYGENASE L-5

(Glycine max) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 LEU A 794
GLY A 792
GLU A 795
GLU A 641
 None
 0.80A 4rjdA-2iujA:
undetectable
4rjdB-2iujA:
undetectable		 4rjdA-2iujA:
5.82
4rjdB-2iujA:
5.82
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.
2khi 30S RIBOSOMAL
PROTEIN S1

(Escherichia
coli) 		PF00575
(S1) 		4 LEU A 346
GLY A 345
GLU A 308
GLU A 276
 None
 0.88A 4rjdA-2khiA:
undetectable
4rjdB-2khiA:
undetectable		 4rjdA-2khiA:
18.80
4rjdB-2khiA:
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.
2nvu MALTOSE BINDING
PROTEIN/NEDD8-ACTIVA
TING ENZYME E1
CATALYTIC SUBUNIT
CHIMERA

(Homo sapiens) 		PF00899
(ThiF)
PF08825
(E2_bind)
PF13416
(SBP_bac_8) 		5 LEU B1291
GLY B1290
GLU B1292
GLU B1023
ALA B1022
 None
 1.25A 4rjdA-2nvuB:
undetectable
4rjdB-2nvuB:
undetectable		 4rjdA-2nvuB:
7.16
4rjdB-2nvuB:
7.16
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.
2pa6 ENOLASE

(Methanocaldococcus
jannaschii) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		4 GLY A 392
GLU A 213
GLU A 289
ALA A 246
 None
 0.84A 4rjdA-2pa6A:
undetectable
4rjdB-2pa6A:
undetectable		 4rjdA-2pa6A:
10.97
4rjdB-2pa6A:
10.97
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.
2q0t PUTATIVE
GAMMA-CARBOXYMUCONOL
ACTONE DECARBOXYLASE
SUBUNIT

(Paraburkholderia
xenovorans) 		PF02627
(CMD) 		4 LEU A 241
GLY A 238
GLU A 240
ALA A 199
 None
 0.85A 4rjdA-2q0tA:
undetectable
4rjdB-2q0tA:
undetectable		 4rjdA-2q0tA:
10.27
4rjdB-2q0tA:
10.27
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.
2q1d 2-KETO-3-DEOXY-D-ARA
BINONATE DEHYDRATASE

(Sulfolobus
solfataricus) 		PF01557
(FAA_hydrolase) 		4 LEU X 157
GLY X 158
ALA X  16
MET X   1
 None
 0.84A 4rjdA-2q1dX:
undetectable
4rjdB-2q1dX:
undetectable		 4rjdA-2q1dX:
14.78
4rjdB-2q1dX:
14.78
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.
2q9g CYTOCHROME P450 46A1

(Homo sapiens) 		PF00067
(p450) 		4 LEU A 125
GLY A 124
GLU A 128
ALA A 286
 HEM  A 505 (-4.1A)
None
None
None
 0.88A 4rjdA-2q9gA:
undetectable
4rjdB-2q9gA:
undetectable		 4rjdA-2q9gA:
9.75
4rjdB-2q9gA:
9.75
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.
2qez ETHANOLAMINE
AMMONIA-LYASE HEAVY
CHAIN

(Listeria
monocytogenes) 		PF06751
(EutB) 		4 GLY A 345
GLU A 308
ALA A 309
MET A 351
 None
 0.88A 4rjdA-2qezA:
0.0
4rjdB-2qezA:
0.0		 4rjdA-2qezA:
11.64
4rjdB-2qezA:
11.64
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.
2qik UPF0131 PROTEIN YKQA

(Bacillus
subtilis) 		PF06094
(GGACT)
PF13772
(AIG2_2) 		4 LEU A  11
GLY A   9
GLU A  15
ALA A  40
 None
 0.90A 4rjdA-2qikA:
undetectable
4rjdB-2qikA:
undetectable		 4rjdA-2qikA:
15.81
4rjdB-2qikA:
15.81
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.
2vdc GLUTAMATE SYNTHASE
[NADPH] SMALL CHAIN

(Azospirillum
brasilense) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		4 LEU G 148
GLY G 147
GLU G 145
ALA G 163
 None
 0.88A 4rjdA-2vdcG:
undetectable
4rjdB-2vdcG:
undetectable		 4rjdA-2vdcG:
11.46
4rjdB-2vdcG:
11.46
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.
2vqd BIOTIN CARBOXYLASE

(Pseudomonas
aeruginosa) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 GLY A 386
GLU A  12
GLU A 241
GLU A 336
 None
 0.80A 4rjdA-2vqdA:
undetectable
4rjdB-2vqdA:
undetectable		 4rjdA-2vqdA:
10.56
4rjdB-2vqdA:
10.56
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.
2vre DELTA(3,5)-DELTA(2,4
)-DIENOYL-COA
ISOMERASE

(Homo sapiens) 		PF00378
(ECH_1) 		4 GLU A 198
MET A 207
GLU A 210
ALA A 211
 None
 0.78A 4rjdA-2vreA:
undetectable
4rjdB-2vreA:
undetectable		 4rjdA-2vreA:
13.09
4rjdB-2vreA:
13.09
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.
2vw8 PA1000

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		4 LEU A 281
GLY A 279
GLU A 182
ALA A 268
 None
 0.90A 4rjdA-2vw8A:
undetectable
4rjdB-2vw8A:
undetectable		 4rjdA-2vw8A:
13.74
4rjdB-2vw8A:
13.74
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.
2xec PUTATIVE MALEATE
ISOMERASE

(Nocardia
farcinica) 		no annotation 4 LEU A 119
GLY A 118
GLU A 207
ALA A 238
 None
 0.89A 4rjdA-2xecA:
undetectable
4rjdB-2xecA:
undetectable		 4rjdA-2xecA:
17.99
4rjdB-2xecA:
17.99
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.
2ya2 PUTATIVE ALKALINE
AMYLOPULLULANASE

(Streptococcus
pneumoniae) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		4 LEU A 673
GLY A 672
GLU A 633
GLU A 670
 None
 0.74A 4rjdA-2ya2A:
undetectable
4rjdB-2ya2A:
undetectable		 4rjdA-2ya2A:
6.64
4rjdB-2ya2A:
6.64
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.
2yhe SEC-ALKYL SULFATASE

(Pseudomonas sp.
DSM 6611) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		4 LEU A 288
GLY A 289
GLU A 326
ALA A 325
 None
 0.80A 4rjdA-2yheA:
undetectable
4rjdB-2yheA:
undetectable		 4rjdA-2yheA:
6.30
4rjdB-2yheA:
6.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zc8 N-ACYLAMINO ACID
RACEMASE

(Thermus
thermophilus) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 LEU A 266
GLY A 267
GLU A  84
ALA A  91
 None
 0.88A 4rjdA-2zc8A:
undetectable
4rjdB-2zc8A:
undetectable		 4rjdA-2zc8A:
12.05
4rjdB-2zc8A:
12.05
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.
2zt9 CYTOCHROME B6-F
COMPLEX IRON-SULFUR
SUBUNIT 1
CYTOCHROME B6-F
COMPLEX SUBUNIT 4

(Nostoc sp. PCC
7120) 		PF00032
(Cytochrom_B_C)
PF00355
(Rieske)
PF08802
(CytB6-F_Fe-S) 		4 LEU D  32
GLY D  33
MET B  45
ALA B  49
 None
 0.90A 4rjdA-2zt9D:
undetectable
4rjdB-2zt9D:
undetectable		 4rjdA-2zt9D:
18.06
4rjdB-2zt9D:
18.06
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.
3any ETHANOLAMINE
AMMONIA-LYASE HEAVY
CHAIN

(Escherichia
coli) 		PF06751
(EutB) 		4 GLY A 345
GLU A 308
ALA A 309
MET A 351
 None
 0.87A 4rjdA-3anyA:
undetectable
4rjdB-3anyA:
undetectable		 4rjdA-3anyA:
11.68
4rjdB-3anyA:
11.68
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.
3b02 TRANSCRIPTIONAL
REGULATOR, CRP
FAMILY

(Thermus
thermophilus) 		PF00027
(cNMP_binding)
PF13545
(HTH_Crp_2) 		5 LEU A  12
GLY A  14
GLU A  53
GLU A  54
ALA A  55
 None
 1.32A 4rjdA-3b02A:
1.2
4rjdB-3b02A:
1.2		 4rjdA-3b02A:
16.49
4rjdB-3b02A:
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.
3bl6 5'-METHYLTHIOADENOSI
NE
NUCLEOSIDASE/S-ADENO
SYLHOMOCYSTEINE
NUCLEOSIDASE

(Staphylococcus
aureus) 		PF01048
(PNP_UDP_1) 		4 GLU A 203
MET A 204
GLU A 207
ALA A 208
 None
 0.51A 4rjdA-3bl6A:
undetectable
4rjdB-3bl6A:
undetectable		 4rjdA-3bl6A:
22.39
4rjdB-3bl6A:
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.
3bxh CENTRAL GLYCOLYTIC
GENE REGULATOR

(Bacillus
subtilis) 		PF04198
(Sugar-bind) 		4 LEU A 101
GLU A  98
MET A 127
ALA A 131
 None
 0.88A 4rjdA-3bxhA:
undetectable
4rjdB-3bxhA:
undetectable		 4rjdA-3bxhA:
16.17
4rjdB-3bxhA:
16.17
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.
3c8c METHYL-ACCEPTING
CHEMOTAXIS PROTEIN

(Vibrio cholerae) 		PF02743
(dCache_1) 		4 LEU A 195
GLY A 196
GLU A 129
ALA A 161
 None
 0.76A 4rjdA-3c8cA:
undetectable
4rjdB-3c8cA:
undetectable		 4rjdA-3c8cA:
16.07
4rjdB-3c8cA:
16.07
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.
3e7g NITRIC OXIDE
SYNTHASE, INDUCIBLE

(Homo sapiens) 		PF02898
(NO_synthase) 		4 LEU A 186
GLY A 183
GLU A 185
GLU A 172
 None
 0.70A 4rjdA-3e7gA:
undetectable
4rjdB-3e7gA:
undetectable		 4rjdA-3e7gA:
12.50
4rjdB-3e7gA:
12.50
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.
3fw6 CELLULASE

(uncultured
bacterium) 		PF12891
(Glyco_hydro_44) 		4 LEU A 420
GLY A 419
GLU A 418
ALA A 472
 None
 0.74A 4rjdA-3fw6A:
undetectable
4rjdB-3fw6A:
undetectable		 4rjdA-3fw6A:
8.83
4rjdB-3fw6A:
8.83
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.
3g3l PUTATIVE
UNCHARACTERIZED
MEMBRANE-ASSOCIATED
PROTEIN

(Bacteroides
fragilis) 		PF12985
(DUF3869) 		5 LEU A 309
GLY A 320
GLU A 319
GLU A 148
ALA A 149
 None
 1.27A 4rjdA-3g3lA:
undetectable
4rjdB-3g3lA:
undetectable		 4rjdA-3g3lA:
11.84
4rjdB-3g3lA:
11.84
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.
3g8d BIOTIN CARBOXYLASE

(Escherichia
coli) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 GLY A 386
GLU A  12
GLU A 241
GLU A 336
 None
 0.86A 4rjdA-3g8dA:
undetectable
4rjdB-3g8dA:
undetectable		 4rjdA-3g8dA:
11.24
4rjdB-3g8dA:
11.24
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.
3hrx PROBABLE ENOYL-COA
HYDRATASE

(Thermus
thermophilus) 		PF00378
(ECH_1) 		4 LEU A  36
GLY A  39
GLU A  40
ALA A 194
 None
 0.89A 4rjdA-3hrxA:
undetectable
4rjdB-3hrxA:
undetectable		 4rjdA-3hrxA:
13.69
4rjdB-3hrxA:
13.69
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.
3i09 PERIPLASMIC
BRANCHED-CHAIN AMINO
ACID-BINDING PROTEIN

(Burkholderia
mallei) 		PF13458
(Peripla_BP_6) 		4 LEU A  49
GLY A  47
GLU A  50
ALA A 305
 None
 0.89A 4rjdA-3i09A:
undetectable
4rjdB-3i09A:
undetectable		 4rjdA-3i09A:
9.95
4rjdB-3i09A:
9.95
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.
3kh9 THIOL:DISULFIDE
INTERCHANGE PROTEIN
DSBE

(Pseudomonas
aeruginosa) 		PF08534
(Redoxin) 		4 LEU A 130
GLY A 129
GLU A 139
ALA A 137
 None
 0.86A 4rjdA-3kh9A:
undetectable
4rjdB-3kh9A:
undetectable		 4rjdA-3kh9A:
13.14
4rjdB-3kh9A:
13.14
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.
3l8j PROGRAMMED CELL
DEATH PROTEIN 10

(Homo sapiens) 		PF06840
(DUF1241) 		4 LEU A  58
GLY A  57
MET A  26
ALA A  24
 None
 0.89A 4rjdA-3l8jA:
undetectable
4rjdB-3l8jA:
undetectable		 4rjdA-3l8jA:
16.57
4rjdB-3l8jA:
16.57
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.
3mkt MULTI ANTIMICROBIAL
EXTRUSION PROTEIN
(NA(+)/DRUG
ANTIPORTER)
MATE-LIKE MDR EFFLUX
PUMP

(Vibrio cholerae) 		PF01554
(MatE) 		4 LEU A 191
GLY A 193
ALA A 201
MET A 134
 None
 0.87A 4rjdA-3mktA:
undetectable
4rjdB-3mktA:
undetectable		 4rjdA-3mktA:
9.39
4rjdB-3mktA:
9.39
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.
3mp6 MALTOSE-BINDING
PERIPLASMIC
PROTEIN,LINKER,SAGA-
ASSOCIATED FACTOR 29

(Escherichia
coli;
Saccharomyces
cerevisiae;
unidentified) 		PF07039
(DUF1325)
PF13416
(SBP_bac_8) 		5 LEU A1028
GLY A1027
GLU A1029
GLU A 760
ALA A 759
 None
 1.34A 4rjdA-3mp6A:
undetectable
4rjdB-3mp6A:
undetectable		 4rjdA-3mp6A:
9.77
4rjdB-3mp6A:
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.
3mv3 COATOMER SUBUNIT
ALPHA
COATOMER SUBUNIT
EPSILON

(Saccharomyces
cerevisiae) 		PF04733
(Coatomer_E)
PF06957
(COPI_C) 		4 LEU B 256
GLY B 255
GLU A1015
ALA A1016
 None
 0.88A 4rjdA-3mv3B:
undetectable
4rjdB-3mv3B:
undetectable		 4rjdA-3mv3B:
12.46
4rjdB-3mv3B:
12.46
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.
3oox PUTATIVE 2OG-FE(II)
OXYGENASE FAMILY
PROTEIN

(Caulobacter
vibrioides) 		PF03171
(2OG-FeII_Oxy)
PF14226
(DIOX_N) 		4 LEU A 207
GLY A 206
GLU A 208
ALA A 182
 EDO  A 314 ( 4.8A)
None
None
None
 0.88A 4rjdA-3ooxA:
undetectable
4rjdB-3ooxA:
undetectable		 4rjdA-3ooxA:
11.22
4rjdB-3ooxA:
11.22
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.
3otn SUSD SUPERFAMILY
PROTEIN

(Parabacteroides
distasonis) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 GLY A 227
MET A 390
GLU A 393
ALA A 394
 None
 0.88A 4rjdA-3otnA:
undetectable
4rjdB-3otnA:
undetectable		 4rjdA-3otnA:
8.51
4rjdB-3otnA:
8.51
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.
3otr ENOLASE

(Toxoplasma
gondii) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		4 GLY A 408
GLU A 217
GLU A 303
ALA A 250
 None
 0.85A 4rjdA-3otrA:
undetectable
4rjdB-3otrA:
undetectable		 4rjdA-3otrA:
10.21
4rjdB-3otrA:
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.
3pas TETR FAMILY
TRANSCRIPTION
REGULATOR

(Marinobacter
hydrocarbonoclasticus) 		PF00440
(TetR_N)
PF16295
(TetR_C_10) 		4 LEU A  96
GLY A  95
GLU A 100
ALA A  21
 None
 0.89A 4rjdA-3pasA:
undetectable
4rjdB-3pasA:
undetectable		 4rjdA-3pasA:
14.94
4rjdB-3pasA:
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.
3pco PHENYLALANYL-TRNA
SYNTHETASE, BETA
CHAIN

(Escherichia
coli) 		PF01588
(tRNA_bind)
PF03147
(FDX-ACB)
PF03483
(B3_4)
PF03484
(B5) 		4 LEU B 584
GLY B 585
MET B 544
ALA B 530
 None
 0.83A 4rjdA-3pcoB:
undetectable
4rjdB-3pcoB:
undetectable		 4rjdA-3pcoB:
6.97
4rjdB-3pcoB:
6.97
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.
3psh PROTEIN HI_1472

(Haemophilus
influenzae) 		PF01497
(Peripla_BP_2) 		4 LEU A 167
GLY A 164
GLU A 166
ALA A 156
 None
 0.65A 4rjdA-3pshA:
undetectable
4rjdB-3pshA:
undetectable		 4rjdA-3pshA:
12.54
4rjdB-3pshA:
12.54
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.
3pwz SHIKIMATE
DEHYDROGENASE 3

(Pseudomonas
putida) 		PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		4 LEU A 106
GLY A 103
GLU A 248
ALA A 249
 None
 0.89A 4rjdA-3pwzA:
undetectable
4rjdB-3pwzA:
undetectable		 4rjdA-3pwzA:
13.24
4rjdB-3pwzA:
13.24
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.
3q87 N6 ADENINE SPECIFIC
DNA METHYLASE

(Encephalitozoon
cuniculi) 		PF05175
(MTS) 		4 GLY B 161
GLU B 162
GLU B  20
ALA B  16
 None
 0.75A 4rjdA-3q87B:
undetectable
4rjdB-3q87B:
undetectable		 4rjdA-3q87B:
22.94
4rjdB-3q87B:
22.94
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.
3qld MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 273
GLY A 274
GLU A  57
GLU A  58
ALA A  49
 None
 1.27A 4rjdA-3qldA:
undetectable
4rjdB-3qldA:
undetectable		 4rjdA-3qldA:
10.24
4rjdB-3qldA:
10.24
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.
3qld MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 273
GLY A 274
GLU A  57
GLU A  58
ALA A  63
 None
 1.35A 4rjdA-3qldA:
undetectable
4rjdB-3qldA:
undetectable		 4rjdA-3qldA:
10.24
4rjdB-3qldA:
10.24
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.
3qn3 ENOLASE

(Campylobacter
jejuni) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		4 GLY A 385
GLU A 204
GLU A 280
ALA A 237
 None
None
MG  A 601 (-3.0A)
None
 0.84A 4rjdA-3qn3A:
undetectable
4rjdB-3qn3A:
undetectable		 4rjdA-3qn3A:
10.33
4rjdB-3qn3A:
10.33
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.
3qr1 PHOSPHOLIPASE C-BETA
(PLC-BETA)

(Doryteuthis
pealeii) 		PF00168
(C2)
PF00387
(PI-PLC-Y)
PF00388
(PI-PLC-X)
PF09279
(EF-hand_like) 		4 LEU A 369
GLU A 368
GLU A 507
ALA A 508
 None
CA  A1000 (-3.1A)
None
None
 0.80A 4rjdA-3qr1A:
7.9
4rjdB-3qr1A:
7.4		 4rjdA-3qr1A:
6.17
4rjdB-3qr1A:
6.17
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.
3qtp ENOLASE 1

(Entamoeba
histolytica) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		4 GLY A 400
GLU A 208
GLU A 296
ALA A 241
 None
2PG  A 437 (-3.0A)
MG  A 441 (-3.3A)
None
 0.89A 4rjdA-3qtpA:
undetectable
4rjdB-3qtpA:
undetectable		 4rjdA-3qtpA:
11.06
4rjdB-3qtpA:
11.06
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.
3rdn ANTIFREEZE PROTEIN
RD3 TYPE III

(Lycodichthys
dearborni) 		no annotation 4 LEU A  51
GLY A  52
GLU A  25
ALA A  24
 None
 0.88A 4rjdA-3rdnA:
undetectable
4rjdB-3rdnA:
undetectable		 4rjdA-3rdnA:
21.95
4rjdB-3rdnA:
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.
3t4c 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE 1

(Burkholderia
ambifaria) 		PF00793
(DAHP_synth_1) 		4 LEU A 235
GLY A 234
MET A 182
ALA A 186
 None
 0.91A 4rjdA-3t4cA:
undetectable
4rjdB-3t4cA:
undetectable		 4rjdA-3t4cA:
16.74
4rjdB-3t4cA:
16.74
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.
3t9o DIGUANYLATE CYCLASE
DGCZ

(Escherichia
coli) 		no annotation 4 LEU A  89
GLY A  86
GLU A  88
ALA A  78
 None
 0.90A 4rjdA-3t9oA:
undetectable
4rjdB-3t9oA:
undetectable		 4rjdA-3t9oA:
17.36
4rjdB-3t9oA:
17.36
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.
3u4a JMB19063

(compost
metagenome) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 GLY A 544
GLU A 546
GLU A 118
ALA A 403
 None
 0.73A 4rjdA-3u4aA:
undetectable
4rjdB-3u4aA:
undetectable		 4rjdA-3u4aA:
7.33
4rjdB-3u4aA:
7.33
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.
3uif SULFONATE ABC
TRANSPORTER,
PERIPLASMIC
SULFONATE-BINDING
PROTEIN SSUA

(Methylobacillus
flagellatus) 		PF09084
(NMT1) 		4 LEU A 201
GLY A 207
GLU A 202
ALA A 133
 None
 0.74A 4rjdA-3uifA:
undetectable
4rjdB-3uifA:
undetectable		 4rjdA-3uifA:
11.25
4rjdB-3uifA:
11.25
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.
3uj2 ENOLASE 1

(Anaerostipes
caccae) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		4 GLY A 394
GLU A 207
GLU A 289
ALA A 242
 None
None
MG  A 431 (-3.3A)
None
 0.81A 4rjdA-3uj2A:
undetectable
4rjdB-3uj2A:
undetectable		 4rjdA-3uj2A:
11.56
4rjdB-3uj2A:
11.56
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.
3un6 HYPOTHETICAL PROTEIN
SAOUHSC_00137

(Staphylococcus
aureus) 		PF13379
(NMT1_2) 		4 GLY A 199
GLU A 200
GLU A 193
ALA A 192
 None
None
None
ZN  A 326 ( 3.8A)
 0.88A 4rjdA-3un6A:
undetectable
4rjdB-3un6A:
undetectable		 4rjdA-3un6A:
11.83
4rjdB-3un6A:
11.83
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.
3vnx FERRITIN

(Ulva pertusa) 		PF00210
(Ferritin) 		5 LEU A 166
GLY A 164
GLU A 168
GLU A  86
ALA A  90
 None
None
None
CA  A 303 ( 3.8A)
None
 1.28A 4rjdA-3vnxA:
undetectable
4rjdB-3vnxA:
undetectable		 4rjdA-3vnxA:
14.49
4rjdB-3vnxA:
14.49
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.
3vsk PENICILLIN-BINDING
PROTEIN 3

(Staphylococcus
aureus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		4 LEU A 399
GLY A 396
MET A 595
ALA A 616
 None
 0.86A 4rjdA-3vskA:
undetectable
4rjdB-3vskA:
undetectable		 4rjdA-3vskA:
6.94
4rjdB-3vskA:
6.94
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.
3vti HYDROGENASE
MATURATION FACTOR

(Caldanaerobacter
subterraneus) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		4 LEU C 220
GLY C 219
GLU C 136
ALA C 133
 None
 0.73A 4rjdA-3vtiC:
undetectable
4rjdB-3vtiC:
undetectable		 4rjdA-3vtiC:
13.40
4rjdB-3vtiC:
13.40
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.
3wo8 BETA-N-ACETYLGLUCOSA
MINIDASE

(Thermotoga
maritima) 		PF00933
(Glyco_hydro_3) 		4 LEU A  33
GLY A  12
MET A 249
GLU A 248
 None
 0.88A 4rjdA-3wo8A:
undetectable
4rjdB-3wo8A:
undetectable		 4rjdA-3wo8A:
11.60
4rjdB-3wo8A:
11.60
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.
4acz ENDO-ALPHA-MANNOSIDA
SE

(Bacteroides
thetaiotaomicron) 		PF16317
(Glyco_hydro_99) 		4 LEU B 227
GLY B 226
MET B 266
ALA B 270
 None
 0.82A 4rjdA-4aczB:
undetectable
4rjdB-4aczB:
undetectable		 4rjdA-4aczB:
9.86
4rjdB-4aczB:
9.86
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.
4at3 BDNF/NT-3 GROWTH
FACTORS RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 LEU A 705
GLY A 701
GLU A 702
ALA A 586
 None
None
None
LTI  A1839 (-3.3A)
 0.89A 4rjdA-4at3A:
undetectable
4rjdB-4at3A:
undetectable		 4rjdA-4at3A:
14.24
4rjdB-4at3A:
14.24
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.
4ayr MANNOSYL-OLIGOSACCHA
RIDE
1,2-ALPHA-MANNOSIDAS
E

(Caulobacter sp.
K31) 		PF01532
(Glyco_hydro_47) 		4 LEU A 362
GLY A 361
GLU A 365
ALA A 312
 None
None
IFL  A 503 (-3.0A)
None
 0.88A 4rjdA-4ayrA:
undetectable
4rjdB-4ayrA:
undetectable		 4rjdA-4ayrA:
11.48
4rjdB-4ayrA:
11.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bnq NON-CANONICAL PURINE
NTP PYROPHOSPHATASE

(Staphylococcus
aureus) 		PF01725
(Ham1p_like) 		4 LEU A  71
GLY A  70
GLU A  72
ALA A 181
 None
 0.83A 4rjdA-4bnqA:
undetectable
4rjdB-4bnqA:
undetectable		 4rjdA-4bnqA:
17.13
4rjdB-4bnqA:
17.13
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.
4ccz METHIONINE SYNTHASE

(Homo sapiens) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		4 GLY A 321
GLU A 194
GLU A  94
ALA A 143
 None
 0.86A 4rjdA-4cczA:
undetectable
4rjdB-4cczA:
undetectable		 4rjdA-4cczA:
8.50
4rjdB-4cczA:
8.50
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.
4ci0 F420-REDUCING
HYDROGENASE, SUBUNIT
ALPHA

(Methanothermobacter
marburgensis) 		PF00374
(NiFeSe_Hases) 		4 LEU A 330
GLY A 329
GLU A 286
ALA A 282
 None
 0.62A 4rjdA-4ci0A:
undetectable
4rjdB-4ci0A:
undetectable		 4rjdA-4ci0A:
13.79
4rjdB-4ci0A:
13.79
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.
4cvm UDP-N-ACETYLMURAMOYL
-TRIPEPTIDE--D-ALANY
L-D- ALANINE LIGASE

(Pseudomonas
aeruginosa) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		4 LEU A 165
GLY A 166
GLU A 164
ALA A 190
 None
None
MG  A1458 ( 2.8A)
None
 0.80A 4rjdA-4cvmA:
undetectable
4rjdB-4cvmA:
undetectable		 4rjdA-4cvmA:
10.91
4rjdB-4cvmA:
10.91
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.
4cxk ARYLSULFATASE

(Pseudomonas
aeruginosa) 		PF00884
(Sulfatase) 		4 LEU A 188
GLY A 185
ALA A 209
MET A 290
 None
 0.89A 4rjdA-4cxkA:
undetectable
4rjdB-4cxkA:
undetectable		 4rjdA-4cxkA:
9.46
4rjdB-4cxkA:
9.46
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.
4d1e ALPHA-ACTININ-2

(Homo sapiens) 		PF00307
(CH)
PF00435
(Spectrin)
PF08726
(EFhand_Ca_insen) 		4 LEU A 726
GLY A 723
GLU A 725
GLU A 718
 None
 0.75A 4rjdA-4d1eA:
1.6
4rjdB-4d1eA:
1.3		 4rjdA-4d1eA:
6.74
4rjdB-4d1eA:
6.74
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.
4e37 CATALASE

(Pseudomonas
aeruginosa) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 GLY A 101
GLU A  99
GLU A 106
ALA A 105
 None
 0.85A 4rjdA-4e37A:
undetectable
4rjdB-4e37A:
undetectable		 4rjdA-4e37A:
9.79
4rjdB-4e37A:
9.79