SIMILAR PATTERNS OF AMINO ACIDS FOR 2A1H_A_GBNA502

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.
1a3g BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE

(Escherichia
coli) 		PF01063
(Aminotran_4) 		5 TYR A  95
ARG A  97
GLY A 256
THR A 257
ALA A 258
 None
None
PLP  A 413 ( 3.9A)
PLP  A 413 (-3.4A)
None
 0.46A 2a1hA-1a3gA:
29.5
2a1hB-1a3gA:
29.5		 2a1hA-1a3gA:
27.34
2a1hB-1a3gA:
27.34
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.
1buy PROTEIN
(ERYTHROPOIETIN)

(Homo sapiens) 		PF00758
(EPO_TPO) 		4 THR A 163
GLY A 158
THR A 157
ALA A 160
 None
 0.85A 2a1hA-1buyA:
undetectable
2a1hB-1buyA:
undetectable		 2a1hA-1buyA:
17.60
2a1hB-1buyA:
17.60
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.
1cb8 PROTEIN
(CHONDROITINASE AC)

(Pedobacter
heparinus) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		4 TYR A 254
GLY A  26
THR A  27
ALA A  28
 None
 0.62A 2a1hA-1cb8A:
undetectable
2a1hB-1cb8A:
undetectable		 2a1hA-1cb8A:
19.21
2a1hB-1cb8A:
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.
1e0k DNA HELICASE

(Escherichia
virus T7) 		PF03796
(DnaB_C) 		4 ARG A 359
GLY A 330
THR A 331
ALA A 332
 None
 0.81A 2a1hA-1e0kA:
undetectable
2a1hB-1e0kA:
undetectable		 2a1hA-1e0kA:
22.79
2a1hB-1e0kA:
22.79
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.
1iiw SLR1257 PROTEIN

(Synechocystis
sp. PCC 6803) 		PF00497
(SBP_bac_3) 		4 GLY A 102
THR A 103
ALA A 104
VAL A 156
 None
 0.81A 2a1hA-1iiwA:
undetectable
2a1hB-1iiwA:
undetectable		 2a1hA-1iiwA:
22.37
2a1hB-1iiwA:
22.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kt8 BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE,
MITOCHONDRIAL

(Homo sapiens) 		PF01063
(Aminotran_4) 		5 TYR A 141
ARG A 143
GLY A 312
THR A 313
ALA A 314
 ILP  A 400 (-4.5A)
None
ILP  A 400 (-3.5A)
ILP  A 400 (-3.6A)
ILP  A 400 ( 4.7A)
 0.14A 2a1hA-1kt8A:
55.9
2a1hB-1kt8A:
55.9		 2a1hA-1kt8A:
100.00
2a1hB-1kt8A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kt8 BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE,
MITOCHONDRIAL

(Homo sapiens) 		PF01063
(Aminotran_4) 		4 TYR A 141
ARG A 143
THR A 240
GLY A 312
 ILP  A 400 (-4.5A)
None
ILP  A 400 (-3.9A)
ILP  A 400 (-3.5A)
 0.61A 2a1hA-1kt8A:
55.9
2a1hB-1kt8A:
55.9		 2a1hA-1kt8A:
100.00
2a1hB-1kt8A:
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.
1m32 2-AMINOETHYLPHOSPHON
ATE-PYRUVATE
AMINOTRANSFERASE

(Salmonella
enterica) 		PF00266
(Aminotran_5) 		4 TYR A  56
THR A  51
ALA A  50
VAL A 166
 None
 0.81A 2a1hA-1m32A:
undetectable
2a1hB-1m32A:
undetectable		 2a1hA-1m32A:
23.09
2a1hB-1m32A:
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.
1mpt M-PROTEASE

(Bacillus
clausii) 		PF00082
(Peptidase_S8) 		4 ARG A 275
GLY A 256
THR A 255
ALA A 254
 None
 0.80A 2a1hA-1mptA:
undetectable
2a1hB-1mptA:
undetectable		 2a1hA-1mptA:
20.92
2a1hB-1mptA:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1s5j DNA POLYMERASE I

(Sulfolobus
solfataricus) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		4 GLY A 633
THR A 630
ALA A 631
VAL A 555
 None
 0.76A 2a1hA-1s5jA:
undetectable
2a1hB-1s5jA:
undetectable		 2a1hA-1s5jA:
19.42
2a1hB-1s5jA:
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.
1v6a L-LACTATE
DEHYDROGENASE A
CHAIN

(Cyprinus carpio) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 THR A 275
GLY A 162
THR A 163
VAL A 303
 None
 0.59A 2a1hA-1v6aA:
undetectable
2a1hB-1v6aA:
undetectable		 2a1hA-1v6aA:
21.61
2a1hB-1v6aA:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vb4 COAT PROTEIN

(Sesbania mosaic
virus) 		PF00729
(Viral_coat) 		4 GLY A 218
THR A 215
ALA A 216
VAL A 228
 None
 0.87A 2a1hA-1vb4A:
undetectable
2a1hB-1vb4A:
undetectable		 2a1hA-1vb4A:
20.65
2a1hB-1vb4A:
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.
1y6j L-LACTATE
DEHYDROGENASE

(Ruminiclostridium
thermocellum) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 THR A 261
GLY A 148
THR A 149
VAL A 288
 None
 0.69A 2a1hA-1y6jA:
undetectable
2a1hB-1y6jA:
undetectable		 2a1hA-1y6jA:
20.21
2a1hB-1y6jA:
20.21
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.
1ysj PROTEIN YXEP

(Bacillus
subtilis) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 GLY A 109
THR A 110
ALA A 111
VAL A  55
 None
 0.80A 2a1hA-1ysjA:
undetectable
2a1hB-1ysjA:
undetectable		 2a1hA-1ysjA:
23.09
2a1hB-1ysjA:
23.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2abj BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE,
CYTOSOLIC

(Homo sapiens) 		PF01063
(Aminotran_4) 		6 TYR A 159
ARG A 161
THR A 258
GLY A 330
THR A 331
ALA A 332
 CBC  A1401 (-4.3A)
CBC  A1401 ( 4.8A)
CBC  A1401 ( 3.8A)
CBC  A1401 ( 3.4A)
PLP  A 420 ( 3.6A)
CBC  A1401 (-3.3A)
 0.37A 2a1hA-2abjA:
54.5
2a1hB-2abjA:
54.5		 2a1hA-2abjA:
57.65
2a1hB-2abjA:
57.65
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.
2c6w PENICILLIN-BINDING
PROTEIN 1A

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		4 GLY B 586
ALA B 594
TYR B 314
VAL B 329
 None
 0.83A 2a1hA-2c6wB:
undetectable
2a1hB-2c6wB:
undetectable		 2a1hA-2c6wB:
19.08
2a1hB-2c6wB:
19.08
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.
2ej0 BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE

(Thermus
thermophilus) 		PF01063
(Aminotran_4) 		5 TYR A  95
ARG A  97
GLY A 255
THR A 256
ALA A 257
 None
None
PMP  A3413 (-3.5A)
PMP  A3413 (-3.6A)
None
 0.36A 2a1hA-2ej0A:
30.3
2a1hB-2ej0A:
30.2		 2a1hA-2ej0A:
27.85
2a1hB-2ej0A:
27.85
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.
2fwu SODIUM/CALCIUM
EXCHANGER 1

(Canis lupus) 		PF03160
(Calx-beta) 		4 THR A 541
GLY A 544
ALA A 546
VAL A 573
 None
 0.73A 2a1hA-2fwuA:
undetectable
2a1hB-2fwuA:
undetectable		 2a1hA-2fwuA:
16.48
2a1hB-2fwuA:
16.48
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.
2kmx COPPER-TRANSPORTING
ATPASE 1

(Homo sapiens) 		PF00702
(Hydrolase) 		4 GLY A1078
THR A1079
ALA A1080
VAL A1218
 None
 0.63A 2a1hA-2kmxA:
undetectable
2a1hB-2kmxA:
undetectable		 2a1hA-2kmxA:
20.17
2a1hB-2kmxA:
20.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2lra POSSIBLE EXPORTED
PROTEIN

(Mycobacterium
tuberculosis) 		no annotation 4 GLY A  30
THR A  31
ALA A  32
VAL A  60
 None
 0.83A 2a1hA-2lraA:
undetectable
2a1hB-2lraA:
undetectable		 2a1hA-2lraA:
15.62
2a1hB-2lraA:
15.62
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.
2ntb PECTINESTERASE A

(Dickeya
dadantii) 		PF01095
(Pectinesterase) 		4 TYR A 181
GLY A 108
THR A 109
ALA A 110
 None
 0.77A 2a1hA-2ntbA:
undetectable
2a1hB-2ntbA:
undetectable		 2a1hA-2ntbA:
22.73
2a1hB-2ntbA:
22.73
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.
2pg0 ACYL-COA
DEHYDROGENASE

(Geobacillus
kaustophilus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 THR A 330
THR A 258
ALA A 259
TYR A 368
 None
None
None
FAD  A 401 (-4.8A)
 0.66A 2a1hA-2pg0A:
undetectable
2a1hB-2pg0A:
undetectable		 2a1hA-2pg0A:
22.28
2a1hB-2pg0A:
22.28
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.
2pgw MUCONATE
CYCLOISOMERASE

(Sinorhizobium
meliloti) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLY A  59
THR A  60
ALA A  61
VAL A  15
 None
 0.85A 2a1hA-2pgwA:
undetectable
2a1hB-2pgwA:
undetectable		 2a1hA-2pgwA:
22.65
2a1hB-2pgwA:
22.65
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.
2q6u NIKD PROTEIN

(Streptomyces
tendae) 		PF01266
(DAO) 		4 THR A  95
GLY A 106
THR A 107
ALA A 108
 None
 0.79A 2a1hA-2q6uA:
undetectable
2a1hB-2q6uA:
undetectable		 2a1hA-2q6uA:
24.48
2a1hB-2q6uA:
24.48
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.
2qvk SODIUM/CALCIUM
EXCHANGER 1

(Canis lupus) 		PF03160
(Calx-beta) 		4 GLY A 544
THR A 545
ALA A 546
VAL A 514
 None
 0.79A 2a1hA-2qvkA:
undetectable
2a1hB-2qvkA:
undetectable		 2a1hA-2qvkA:
20.17
2a1hB-2qvkA:
20.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v65 L-LACTATE
DEHYDROGENASE A
CHAIN

(Champsocephalus
gunnari) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 THR A 273
GLY A 164
THR A 165
VAL A 302
 None
 0.58A 2a1hA-2v65A:
undetectable
2a1hB-2v65A:
undetectable		 2a1hA-2v65A:
22.53
2a1hB-2v65A:
22.53
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.
2vq0 COAT PROTEIN

(Sesbania mosaic
virus) 		PF00729
(Viral_coat) 		4 GLY A 218
THR A 215
ALA A 216
VAL A 228
 None
 0.87A 2a1hA-2vq0A:
undetectable
2a1hB-2vq0A:
undetectable		 2a1hA-2vq0A:
21.18
2a1hB-2vq0A:
21.18
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.
2xdq LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT B

(Thermosynechococcus
elongatus) 		PF00148
(Oxidored_nitro) 		4 GLY B 226
THR B 229
ALA B 230
VAL B 166
 None
 0.87A 2a1hA-2xdqB:
undetectable
2a1hB-2xdqB:
undetectable		 2a1hA-2xdqB:
21.02
2a1hB-2xdqB:
21.02
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.
3cp2 TRNA URIDINE
5-CARBOXYMETHYLAMINO
METHYL MODIFICATION
ENZYME GIDA

(Escherichia
coli) 		PF01134
(GIDA)
PF13932
(GIDA_assoc) 		4 THR A  19
GLY A 384
ALA A 380
TYR A 104
 None
None
SO4  A 630 ( 3.7A)
None
 0.68A 2a1hA-3cp2A:
undetectable
2a1hB-3cp2A:
undetectable		 2a1hA-3cp2A:
19.31
2a1hB-3cp2A:
19.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dtg BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE

(Mycolicibacterium
smegmatis) 		PF01063
(Aminotran_4) 		5 TYR A 144
ARG A 146
GLY A 313
THR A 314
ALA A 315
 None
OBZ  A 371 (-4.2A)
PLP  A 369 (-3.6A)
PLP  A 369 (-3.5A)
OBZ  A 371 ( 4.1A)
 0.33A 2a1hA-3dtgA:
44.4
2a1hB-3dtgA:
44.3		 2a1hA-3dtgA:
37.08
2a1hB-3dtgA:
37.08
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.
3dwz BETA-LACTAMASE

(Mycobacterium
tuberculosis) 		PF13354
(Beta-lactamase2) 		4 TYR A 109
GLY A 144
THR A 145
ALA A 146
 None
DWZ  A 400 ( 3.8A)
None
None
 0.83A 2a1hA-3dwzA:
undetectable
2a1hB-3dwzA:
undetectable		 2a1hA-3dwzA:
21.18
2a1hB-3dwzA:
21.18
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.
3e9t NA/CA EXCHANGE
PROTEIN

(Drosophila
melanogaster) 		PF03160
(Calx-beta) 		4 GLY A 483
THR A 484
ALA A 485
VAL A 453
 None
 0.84A 2a1hA-3e9tA:
undetectable
2a1hB-3e9tA:
undetectable		 2a1hA-3e9tA:
18.31
2a1hB-3e9tA:
18.31
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.
3eb8 CYSTEINE
PROTEASE-LIKE VIRA

(Shigella
flexneri) 		PF06872
(EspG) 		4 GLY A 372
THR A 373
ALA A 269
VAL A 326
 None
 0.74A 2a1hA-3eb8A:
undetectable
2a1hB-3eb8A:
undetectable		 2a1hA-3eb8A:
20.47
2a1hB-3eb8A:
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.
3ee1 EFFECTOR PROTEIN
VIRA

(Shigella
flexneri) 		PF06872
(EspG) 		4 GLY A 372
THR A 373
ALA A 269
VAL A 326
 None
 0.86A 2a1hA-3ee1A:
undetectable
2a1hB-3ee1A:
undetectable		 2a1hA-3ee1A:
19.95
2a1hB-3ee1A:
19.95
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.
3fcj NITROALKANE OXIDASE

(Fusarium
oxysporum) 		PF00441
(Acyl-CoA_dh_1)
PF02771
(Acyl-CoA_dh_N) 		4 GLY A 100
THR A  97
ALA A  98
VAL A 280
 None
 0.80A 2a1hA-3fcjA:
undetectable
2a1hB-3fcjA:
undetectable		 2a1hA-3fcjA:
22.06
2a1hB-3fcjA:
22.06
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.
3g05 TRNA URIDINE
5-CARBOXYMETHYLAMINO
METHYL MODIFICATION
ENZYME MNMG

(Escherichia
coli) 		PF01134
(GIDA)
PF13932
(GIDA_assoc) 		4 THR A  19
GLY A 384
ALA A 380
TYR A 104
 None
None
SO4  A 551 (-3.6A)
None
 0.80A 2a1hA-3g05A:
undetectable
2a1hB-3g05A:
undetectable		 2a1hA-3g05A:
21.49
2a1hB-3g05A:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gxk GOOSE-TYPE LYSOZYME
1

(Gadus morhua) 		PF01464
(SLT) 		4 GLY A 122
THR A 121
ALA A 120
TYR A 173
 None
 0.75A 2a1hA-3gxkA:
undetectable
2a1hB-3gxkA:
undetectable		 2a1hA-3gxkA:
20.33
2a1hB-3gxkA:
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.
3h1q ETHANOLAMINE
UTILIZATION PROTEIN
EUTJ

(Carboxydothermus
hydrogenoformans) 		PF14450
(FtsA) 		4 GLY A 232
THR A 233
ALA A 234
VAL A 140
 ATP  A 301 (-3.1A)
ATP  A 301 (-4.7A)
None
None
 0.83A 2a1hA-3h1qA:
undetectable
2a1hB-3h1qA:
undetectable		 2a1hA-3h1qA:
21.84
2a1hB-3h1qA:
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.
3hmj FATTY ACID SYNTHASE
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00109
(ketoacyl-synt)
PF01648
(ACPS)
PF02801
(Ketoacyl-synt_C) 		4 GLY A1651
THR A1409
ALA A1408
VAL A1404
 None
 0.87A 2a1hA-3hmjA:
undetectable
2a1hB-3hmjA:
undetectable		 2a1hA-3hmjA:
13.09
2a1hB-3hmjA:
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.
3iqd OCTOPINE
DEHYDROGENASE

(Pecten maximus) 		PF02317
(Octopine_DH) 		4 GLY B 173
THR B 174
ALA B 175
VAL B 106
 None
 0.51A 2a1hA-3iqdB:
undetectable
2a1hB-3iqdB:
undetectable		 2a1hA-3iqdB:
22.58
2a1hB-3iqdB:
22.58
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.
3ist GLUTAMATE RACEMASE

(Listeria
monocytogenes) 		PF01177
(Asp_Glu_race) 		4 GLY A 207
THR A 210
ALA A 211
VAL A  30
 None
 0.84A 2a1hA-3istA:
undetectable
2a1hB-3istA:
undetectable		 2a1hA-3istA:
23.02
2a1hB-3istA:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jyo QUINATE/SHIKIMATE
DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF08501
(Shikimate_dh_N) 		4 GLY A  91
THR A  88
ALA A  87
VAL A  96
 None
 0.76A 2a1hA-3jyoA:
undetectable
2a1hB-3jyoA:
undetectable		 2a1hA-3jyoA:
22.57
2a1hB-3jyoA:
22.57
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.
3lkw FUSION PROTEIN OF
NONSTRUCTURAL
PROTEIN 2B AND
NONSTRUCTURAL
PROTEIN 3

(Dengue virus) 		PF00949
(Peptidase_S7)
PF01002
(Flavi_NS2B) 		4 TYR A 200
GLY A 183
THR A 184
ALA A 185
 None
 0.62A 2a1hA-3lkwA:
undetectable
2a1hB-3lkwA:
undetectable		 2a1hA-3lkwA:
21.53
2a1hB-3lkwA:
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.
3mc2 INHIBITOR OF
CARBONIC ANHYDRASE

(Mus musculus) 		PF00405
(Transferrin) 		4 GLY A 198
THR A 199
ALA A 200
VAL A 205
 None
 0.67A 2a1hA-3mc2A:
undetectable
2a1hB-3mc2A:
undetectable		 2a1hA-3mc2A:
19.43
2a1hB-3mc2A:
19.43
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.
3nv9 MALIC ENZYME

(Entamoeba
histolytica) 		PF00390
(malic)
PF03949
(Malic_M) 		4 GLY A 197
THR A 198
ALA A 199
TYR A 176
 None
 0.70A 2a1hA-3nv9A:
undetectable
2a1hB-3nv9A:
undetectable		 2a1hA-3nv9A:
22.67
2a1hB-3nv9A:
22.67
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.
3p1j GTPASE IMAP FAMILY
MEMBER 2

(Homo sapiens) 		PF04548
(AIG1) 		4 THR A 141
GLY A 176
ALA A 174
VAL A 129
 None
UNX  A   1 ( 4.0A)
None
None
 0.78A 2a1hA-3p1jA:
undetectable
2a1hB-3p1jA:
undetectable		 2a1hA-3p1jA:
24.02
2a1hB-3p1jA:
24.02
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.
3pmk NUCLEOCAPSID PROTEIN

(Recombinant
vesicular
stomatitis
Indiana virus
rVSV-G/GFP) 		PF00945
(Rhabdo_ncap) 		4 THR A 238
GLY A 339
ALA A 337
VAL A 245
 None
 0.69A 2a1hA-3pmkA:
undetectable
2a1hB-3pmkA:
undetectable		 2a1hA-3pmkA:
21.09
2a1hB-3pmkA:
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.
3q3c PROBABLE
3-HYDROXYISOBUTYRATE
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		4 ARG A 233
GLY A 124
THR A 125
ALA A 126
 None
NAD  A 299 ( 4.1A)
None
None
 0.79A 2a1hA-3q3cA:
undetectable
2a1hB-3q3cA:
undetectable		 2a1hA-3q3cA:
20.65
2a1hB-3q3cA:
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.
3qiv SHORT-CHAIN
DEHYDROGENASE OR
3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		4 GLY A  54
THR A  55
ALA A  56
VAL A  10
 None
 0.75A 2a1hA-3qivA:
undetectable
2a1hB-3qivA:
undetectable		 2a1hA-3qivA:
22.51
2a1hB-3qivA:
22.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sju KETO REDUCTASE

(Streptomyces
griseoruber) 		PF00106
(adh_short) 		4 THR A 120
GLY A 115
THR A 114
VAL A 169
 None
 0.76A 2a1hA-3sjuA:
undetectable
2a1hB-3sjuA:
undetectable		 2a1hA-3sjuA:
21.98
2a1hB-3sjuA:
21.98
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.
3tsy FUSION PROTEIN
4-COUMARATE--COA
LIGASE 1,
RESVERATROL SYNTHASE

(Arabidopsis
thaliana;
Vitis vinifera) 		PF00195
(Chal_sti_synt_N)
PF00501
(AMP-binding)
PF02797
(Chal_sti_synt_C)
PF13193
(AMP-binding_C) 		4 THR A 760
GLY A 755
ALA A 753
VAL A 744
 None
 0.85A 2a1hA-3tsyA:
undetectable
2a1hB-3tsyA:
undetectable		 2a1hA-3tsyA:
17.90
2a1hB-3tsyA:
17.90
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.
3ufb TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLTRANSFERASE
SUBUNIT

(Vibrio
vulnificus) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		4 THR A 201
GLY A 227
ALA A 225
VAL A 361
 None
 0.85A 2a1hA-3ufbA:
undetectable
2a1hB-3ufbA:
undetectable		 2a1hA-3ufbA:
20.58
2a1hB-3ufbA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3us9 SODIUM/CALCIUM
EXCHANGER 1

(Canis lupus) 		PF03160
(Calx-beta) 		4 GLY A 544
THR A 545
ALA A 546
VAL A 514
 None
 0.82A 2a1hA-3us9A:
undetectable
2a1hB-3us9A:
undetectable		 2a1hA-3us9A:
21.75
2a1hB-3us9A:
21.75
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.
3uyk NDP-RHAMNOSYLTRANSFE
RASE

(Saccharopolyspora
spinosa) 		PF06722
(DUF1205) 		4 ARG A 226
GLY A  45
THR A  42
ALA A  41
 None
 0.77A 2a1hA-3uykA:
undetectable
2a1hB-3uykA:
undetectable		 2a1hA-3uykA:
23.42
2a1hB-3uykA:
23.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uzb BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE

(Deinococcus
radiodurans) 		PF01063
(Aminotran_4) 		5 TYR A 143
ARG A 145
GLY A 303
THR A 304
ALA A 305
 COI  A1517 (-4.8A)
None
PLP  A 371 (-3.6A)
PLP  A 371 ( 3.7A)
COI  A1517 (-3.1A)
 0.43A 2a1hA-3uzbA:
38.8
2a1hB-3uzbA:
38.7		 2a1hA-3uzbA:
31.84
2a1hB-3uzbA:
31.84
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.
3w5v FERREDOXIN

(Zea mays) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		4 GLY A 171
THR A 170
ALA A 169
VAL A 229
 None
 0.86A 2a1hA-3w5vA:
undetectable
2a1hB-3w5vA:
undetectable		 2a1hA-3w5vA:
23.66
2a1hB-3w5vA:
23.66
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.
3woh SIAM

(Streptomyces
sp. A7248) 		PF13561
(adh_short_C2) 		4 GLY A  59
THR A  60
ALA A  61
VAL A  14
 None
 0.80A 2a1hA-3wohA:
undetectable
2a1hB-3wohA:
undetectable		 2a1hA-3wohA:
20.70
2a1hB-3wohA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a01 PROTON
PYROPHOSPHATASE

(Vigna radiata) 		PF03030
(H_PPase) 		4 THR A 536
GLY A 496
THR A 495
ALA A 498
 None
 0.88A 2a1hA-4a01A:
undetectable
2a1hB-4a01A:
undetectable		 2a1hA-4a01A:
17.72
2a1hB-4a01A:
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.
4ain GLYCINE BETAINE
TRANSPORTER BETP

(Corynebacterium
glutamicum) 		PF02028
(BCCT) 		4 GLY A 249
THR A 246
ALA A 245
VAL A 533
 None
 0.76A 2a1hA-4ainA:
undetectable
2a1hB-4ainA:
undetectable		 2a1hA-4ainA:
20.68
2a1hB-4ainA:
20.68
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.
4bfr PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC S
SUBUNIT BETA ISOFORM

(Mus musculus) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd) 		4 GLY A 839
THR A 838
ALA A 837
VAL A 637
 None
 0.88A 2a1hA-4bfrA:
undetectable
2a1hB-4bfrA:
undetectable		 2a1hA-4bfrA:
17.85
2a1hB-4bfrA:
17.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dqn PUTATIVE
BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE
ILVE

(Streptococcus
mutans) 		PF01063
(Aminotran_4) 		5 TYR A 124
ARG A 126
GLY A 284
THR A 285
ALA A 286
 None
 0.48A 2a1hA-4dqnA:
40.7
2a1hB-4dqnA:
40.8		 2a1hA-4dqnA:
32.19
2a1hB-4dqnA:
32.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4drf METHYLTRANSFERASE
TYPE 12

(Ruminiclostridium
thermocellum) 		PF12623
(Hen1_L) 		4 GLY B  98
THR B  99
ALA B 100
TYR B  40
 None
 0.81A 2a1hA-4drfB:
undetectable
2a1hB-4drfB:
undetectable		 2a1hA-4drfB:
20.83
2a1hB-4drfB:
20.83
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.
4dt5 ANTIFREEZE PROTEIN

(Rhagium
inquisitor) 		no annotation 4 THR A  47
GLY A  50
THR A  70
ALA A  71
 None
 0.77A 2a1hA-4dt5A:
undetectable
2a1hB-4dt5A:
undetectable		 2a1hA-4dt5A:
13.97
2a1hB-4dt5A:
13.97
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.
4egv ACETYL-COA
ACETYLTRANSFERASE

(Mycolicibacterium
smegmatis) 		no annotation 4 GLY A 113
THR A 110
ALA A 109
VAL A 379
 None
 0.87A 2a1hA-4egvA:
undetectable
2a1hB-4egvA:
undetectable		 2a1hA-4egvA:
20.97
2a1hB-4egvA:
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.
4hpn PUTATIVE
UNCHARACTERIZED
PROTEIN

(Agrobacterium
fabrum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLY A 290
THR A 287
ALA A 286
VAL A 294
 None
 0.86A 2a1hA-4hpnA:
undetectable
2a1hB-4hpnA:
undetectable		 2a1hA-4hpnA:
22.12
2a1hB-4hpnA:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4im7 HYPOTHETICAL
OXIDOREDUCTASE YDFI

(Escherichia
coli) 		PF01232
(Mannitol_dh)
PF08125
(Mannitol_dh_C) 		4 GLY A 161
THR A 160
ALA A 159
VAL A  26
 None
None
NAI  A 502 ( 4.7A)
None
 0.88A 2a1hA-4im7A:
undetectable
2a1hB-4im7A:
undetectable		 2a1hA-4im7A:
21.24
2a1hB-4im7A:
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.
4imr 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Agrobacterium
fabrum) 		PF13561
(adh_short_C2) 		4 GLY A  60
THR A  61
ALA A  62
VAL A  16
 None
 0.87A 2a1hA-4imrA:
undetectable
2a1hB-4imrA:
undetectable		 2a1hA-4imrA:
21.12
2a1hB-4imrA:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iob DIGUANYLATE CYCLASE
TPBB

(Pseudomonas
aeruginosa) 		PF00990
(GGDEF) 		4 THR A 370
GLY A 406
THR A 373
VAL A 306
 None
 0.85A 2a1hA-4iobA:
undetectable
2a1hB-4iobA:
undetectable		 2a1hA-4iobA:
18.75
2a1hB-4iobA:
18.75
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.
4kg7 PEPTIDASE S8 AND
S53, SUBTILISIN,
KEXIN, SEDOLISIN

(Mycolicibacterium
smegmatis) 		PF00082
(Peptidase_S8) 		4 THR A 297
GLY A 309
ALA A 343
VAL A 303
 None
 0.84A 2a1hA-4kg7A:
undetectable
2a1hB-4kg7A:
undetectable		 2a1hA-4kg7A:
21.81
2a1hB-4kg7A:
21.81
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.
4n75 OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMA

(Escherichia
coli) 		PF01103
(Bac_surface_Ag) 		4 THR A 571
GLY A 528
THR A 514
VAL A 532
 None
 0.87A 2a1hA-4n75A:
undetectable
2a1hB-4n75A:
undetectable		 2a1hA-4n75A:
21.96
2a1hB-4n75A:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pdx PUTATIVE
ALKYL/ARYL-SULFATASE
YJCS

(Escherichia
coli) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		4 TYR A 416
GLY A 518
THR A 515
ALA A 514
 SO4  A 701 (-4.5A)
None
None
None
 0.80A 2a1hA-4pdxA:
undetectable
2a1hB-4pdxA:
undetectable		 2a1hA-4pdxA:
18.25
2a1hB-4pdxA:
18.25
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.
4rep GAMMA-CAROTENE
DESATURASE

(Nonlabens
dokdonensis) 		PF01593
(Amino_oxidase) 		5 TYR A  88
ARG A 188
THR A 216
ALA A  98
TYR A 192
 None
 1.26A 2a1hA-4repA:
undetectable
2a1hB-4repA:
undetectable		 2a1hA-4repA:
20.04
2a1hB-4repA:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rgy ESTERASE

(uncultured
bacterium FLS12) 		PF00756
(Esterase) 		4 TYR A  67
ARG A  66
GLY A 247
ALA A 251
 None
 0.87A 2a1hA-4rgyA:
undetectable
2a1hB-4rgyA:
undetectable		 2a1hA-4rgyA:
21.13
2a1hB-4rgyA:
21.13
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.
4whx BRANCHED-CHAIN-AMINO
-ACID TRANSAMINASE

(Burkholderia
pseudomallei) 		PF01063
(Aminotran_4) 		5 TYR A  98
ARG A 100
GLY A 257
THR A 258
ALA A 259
 ALA  A 401 (-4.3A)
ALA  A 401 ( 4.6A)
LLP  A 161 ( 3.4A)
LLP  A 161 (-3.6A)
ALA  A 401 (-3.4A)
 0.50A 2a1hA-4whxA:
30.5
2a1hB-4whxA:
30.3		 2a1hA-4whxA:
28.19
2a1hB-4whxA:
28.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xoh DIVISION MAL FOUTUE
1 PROTEIN

(Schizosaccharomyces
pombe) 		no annotation 4 THR C 167
GLY C 123
THR C 124
ALA C 125
 None
 0.88A 2a1hA-4xohC:
undetectable
2a1hB-4xohC:
undetectable		 2a1hA-4xohC:
22.64
2a1hB-4xohC:
22.64
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.
4z9n AMINO ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Brucella ovis) 		PF00497
(SBP_bac_3) 		4 THR A 136
GLY A 133
ALA A  63
TYR A 174
 GSH  A 401 ( 4.8A)
EDO  A 403 (-4.3A)
GSH  A 401 (-3.6A)
None
 0.77A 2a1hA-4z9nA:
undetectable
2a1hB-4z9nA:
undetectable		 2a1hA-4z9nA:
23.68
2a1hB-4z9nA:
23.68
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.
5ce8 BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE

(Thermoproteus
uzoniensis) 		PF01063
(Aminotran_4) 		5 TYR A  91
ARG A  93
GLY A 247
THR A 248
ALA A 249
 None
None
PLP  A 301 ( 3.7A)
PLP  A 301 (-3.5A)
None
 0.49A 2a1hA-5ce8A:
30.9
2a1hB-5ce8A:
30.9		 2a1hA-5ce8A:
26.19
2a1hB-5ce8A:
26.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5db4 NICOTINATE-NUCLEOTID
E
ADENYLYLTRANSFERASE

(Mycobacteroides
abscessus) 		PF01467
(CTP_transf_like) 		4 ARG A  83
THR A  98
ALA A  99
VAL A  41
 None
 0.76A 2a1hA-5db4A:
undetectable
2a1hB-5db4A:
undetectable		 2a1hA-5db4A:
21.05
2a1hB-5db4A:
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.
5e25 BRANCHED-CHAIN
AMINOTRANSFERASE

(Geoglobus
acetivorans) 		PF01063
(Aminotran_4) 		4 ARG A  91
GLY A 247
THR A 248
ALA A 249
 AKG  A 302 ( 4.1A)
PLP  A 301 (-3.4A)
PLP  A 301 ( 3.7A)
AKG  A 302 (-3.6A)
 0.51A 2a1hA-5e25A:
28.7
2a1hB-5e25A:
28.7		 2a1hA-5e25A:
25.54
2a1hB-5e25A:
25.54
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.
5e25 BRANCHED-CHAIN
AMINOTRANSFERASE

(Geoglobus
acetivorans) 		PF01063
(Aminotran_4) 		4 TYR A  89
ARG A  91
GLY A 247
THR A 248
 AKG  A 302 (-4.3A)
AKG  A 302 ( 4.1A)
PLP  A 301 (-3.4A)
PLP  A 301 ( 3.7A)
 0.41A 2a1hA-5e25A:
28.7
2a1hB-5e25A:
28.7		 2a1hA-5e25A:
25.54
2a1hB-5e25A:
25.54
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.
5eq6 TYPE 4 FIMBRIAL
BIOGENESIS PROTEIN
PILM

(Pseudomonas
aeruginosa) 		PF11104
(PilM_2) 		4 GLY A 296
THR A 297
ALA A 298
VAL A 197
 ANP  A 401 (-3.2A)
ANP  A 401 (-4.1A)
None
None
 0.76A 2a1hA-5eq6A:
undetectable
2a1hB-5eq6A:
undetectable		 2a1hA-5eq6A:
22.08
2a1hB-5eq6A:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5exr DNA POLYMERASE ALPHA
CATALYTIC SUBUNIT

(Homo sapiens) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1)
PF08996
(zf-DNA_Pol) 		4 GLY C1240
THR C1237
ALA C1236
VAL C1248
 None
 0.86A 2a1hA-5exrC:
undetectable
2a1hB-5exrC:
undetectable		 2a1hA-5exrC:
16.01
2a1hB-5exrC:
16.01
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.
5gxf ACRYLYL-COA
REDUCTASE ACUI

(Ruegeria
pomeroyi) 		PF00107
(ADH_zinc_N) 		4 GLY A 128
THR A 129
ALA A 130
VAL A 320
 None
 0.48A 2a1hA-5gxfA:
undetectable
2a1hB-5gxfA:
undetectable		 2a1hA-5gxfA:
21.15
2a1hB-5gxfA:
21.15
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.
5hjo GLUCOSIDASE 2
SUBUNIT BETA

(Mus musculus) 		PF12999
(PRKCSH-like) 		4 GLY B  42
THR B  43
ALA B  44
VAL B  51
 None
 0.83A 2a1hA-5hjoB:
undetectable
2a1hB-5hjoB:
undetectable		 2a1hA-5hjoB:
13.78
2a1hB-5hjoB:
13.78
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.
5ikn DNA PRIMASE/HELICASE

(Escherichia
virus T7) 		PF03796
(DnaB_C)
PF13155
(Toprim_2) 		4 ARG D 359
GLY D 330
THR D 331
ALA D 332
 None
 0.66A 2a1hA-5iknD:
undetectable
2a1hB-5iknD:
undetectable		 2a1hA-5iknD:
21.26
2a1hB-5iknD:
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.
5jow NON-REDUCING END
ALPHA-L-ARABINOFURAN
OSIDASE BOGH43A

(Bacteroides
ovatus) 		PF04616
(Glyco_hydro_43) 		4 GLY A 252
THR A 251
ALA A 270
VAL A  27
 None
 0.74A 2a1hA-5jowA:
undetectable
2a1hB-5jowA:
undetectable		 2a1hA-5jowA:
23.29
2a1hB-5jowA:
23.29
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.
5k6o B-GLUCOSIDASE

(metagenome) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 GLY A 208
THR A 211
ALA A 212
VAL A  83
 None
 0.69A 2a1hA-5k6oA:
undetectable
2a1hB-5k6oA:
undetectable		 2a1hA-5k6oA:
17.83
2a1hB-5k6oA:
17.83
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.
5ljo OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMA

(Escherichia
coli) 		PF01103
(Bac_surface_Ag)
PF07244
(POTRA) 		4 THR A 571
GLY A 528
THR A 514
VAL A 532
 None
 0.86A 2a1hA-5ljoA:
undetectable
2a1hB-5ljoA:
undetectable		 2a1hA-5ljoA:
18.35
2a1hB-5ljoA:
18.35
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.
5lo9 CYTOCHROME C

(Marichromatium
purpuratum) 		PF00034
(Cytochrom_C)
PF13442
(Cytochrome_CBB3) 		4 THR A 369
GLY A 366
THR A 365
ALA A 364
 None
None
EDO  A1022 (-3.2A)
None
 0.79A 2a1hA-5lo9A:
undetectable
2a1hB-5lo9A:
undetectable		 2a1hA-5lo9A:
21.30
2a1hB-5lo9A:
21.30
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.
5mqz PUTATIVE
BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE

(Archaeoglobus
fulgidus) 		no annotation 5 TYR A  87
ARG A  89
GLY A 245
THR A 246
ALA A 247
 None
None
LLP  A 150 ( 3.4A)
LLP  A 150 ( 3.7A)
None
 0.44A 2a1hA-5mqzA:
28.4
2a1hB-5mqzA:
28.4		 2a1hA-5mqzA:
13.00
2a1hB-5mqzA:
13.00
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.
5mu5 UNCHARACTERIZED
PROTEIN

(Magnetospirillum
magneticum) 		no annotation 4 THR A 394
GLY A 304
THR A 305
ALA A 306
 None
SO4  A 701 (-3.3A)
SO4  A 701 (-3.1A)
None
 0.53A 2a1hA-5mu5A:
undetectable
2a1hB-5mu5A:
undetectable		 2a1hA-5mu5A:
21.69
2a1hB-5mu5A:
21.69
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.
5nyw PROTEASOME SUBUNIT

(Yersinia
bercovieri) 		no annotation 4 TYR A  81
GLY A  88
THR A  85
ALA A  84
 None
 0.72A 2a1hA-5nywA:
undetectable
2a1hB-5nywA:
undetectable		 2a1hA-5nywA:
21.92
2a1hB-5nywA:
21.92
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.
5oc0 CYTOCHROME B561

(Escherichia
coli) 		no annotation 4 ARG A 169
GLY A  81
ALA A  83
TYR A   5
 HEM  A 201 (-2.6A)
None
GOL  A 204 ( 4.3A)
HEM  A 201 (-4.6A)
 0.86A 2a1hA-5oc0A:
undetectable
2a1hB-5oc0A:
undetectable		 2a1hA-5oc0A:
13.39
2a1hB-5oc0A:
13.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5u3f BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE

(Mycobacterium
tuberculosis) 		PF01063
(Aminotran_4) 		5 TYR A 144
ARG A 146
GLY A 313
THR A 314
ALA A 315
 7TS  A 400 (-4.6A)
None
7TS  A 400 (-3.6A)
7TS  A 400 (-3.6A)
None
 0.33A 2a1hA-5u3fA:
39.5
2a1hB-5u3fA:
39.5		 2a1hA-5u3fA:
37.43
2a1hB-5u3fA:
37.43
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.
5vev PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE

(Neisseria
gonorrhoeae) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		4 THR A 367
GLY A  36
THR A  37
ALA A  38
 None
 0.70A 2a1hA-5vevA:
undetectable
2a1hB-5vevA:
undetectable		 2a1hA-5vevA:
23.02
2a1hB-5vevA:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w68 PUTATIVE TYPE II
SECRETION PROTEIN

(Escherichia
coli) 		no annotation 4 THR A 398
GLY A 449
THR A 450
ALA A 451
 None
 0.65A 2a1hA-5w68A:
undetectable
2a1hB-5w68A:
undetectable		 2a1hA-5w68A:
23.28
2a1hB-5w68A:
23.28
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.
5ya1 AUTOINDUCER-2 KINASE

(Escherichia
coli) 		no annotation 4 GLY A 459
THR A 456
ALA A 455
VAL A 424
 None
HEZ  A 703 (-4.4A)
HEZ  A 703 (-3.7A)
None
 0.87A 2a1hA-5ya1A:
undetectable
2a1hB-5ya1A:
undetectable		 2a1hA-5ya1A:
13.26
2a1hB-5ya1A:
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.
6acd -

(-) 		no annotation 4 THR A 773
GLY A 862
THR A 863
ALA A 864
 None
 0.79A 2a1hA-6acdA:
undetectable
2a1hB-6acdA:
undetectable		 2a1hA-6acdA:
undetectable
2a1hB-6acdA:
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.
6aph ADENOSYLHOMOCYSTEINA
SE

(Elizabethkingia
anophelis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		4 GLY A 232
THR A 233
ALA A 234
VAL A 264
 None
 0.85A 2a1hA-6aphA:
undetectable
2a1hB-6aphA:
undetectable		 2a1hA-6aphA:
22.93
2a1hB-6aphA:
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.
6ckt 2,3,4,5-TETRAHYDROPY
RIDINE-2,6-DICARBOXY
LATE
N-SUCCINYLTRANSFERAS
E

(Legionella
pneumophila) 		no annotation 4 GLY A 163
THR A 145
ALA A 144
VAL A 138
 None
 0.83A 2a1hA-6cktA:
undetectable
2a1hB-6cktA:
undetectable		 2a1hA-6cktA:
13.20
2a1hB-6cktA:
13.20