SIMILAR PATTERNS OF AMINO ACIDS FOR 2A1H_B_GBNB501

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
 0.41A 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.
1a4s BETAINE ALDEHYDE
DEHYDROGENASE

(Gadus morhua) 		PF00171
(Aldedh) 		5 VAL A 296
TYR A 453
GLY A 450
THR A 451
ALA A 429
 None
 1.31A 2a1hA-1a4sA:
0.0
2a1hB-1a4sA:
0.0		 2a1hA-1a4sA:
21.92
2a1hB-1a4sA:
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.
1buy PROTEIN
(ERYTHROPOIETIN)

(Homo sapiens) 		PF00758
(EPO_TPO) 		4 THR A 163
GLY A 158
THR A 157
ALA A 160
 None
 0.84A 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.
1bvy PROTEIN (CYTOCHROME
P450 BM-3)

(Bacillus
megaterium) 		PF00258
(Flavodoxin_1) 		4 VAL F 581
GLY F 491
THR F 492
ALA F 493
 None
FMN  F1002 (-3.9A)
FMN  F1002 (-3.7A)
FMN  F1002 (-3.4A)
 0.81A 2a1hA-1bvyF:
undetectable
2a1hB-1bvyF:
undetectable		 2a1hA-1bvyF:
19.40
2a1hB-1bvyF:
19.40
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.
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
 0.66A 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:
0.0
2a1hB-1e0kA:
0.0		 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.
1eg7 FORMYLTETRAHYDROFOLA
TE SYNTHETASE

(Moorella
thermoacetica) 		PF01268
(FTHFS) 		5 TYR A1466
VAL A1513
GLY A1460
THR A1456
ALA A1455
 None
 1.49A 2a1hA-1eg7A:
0.0
2a1hB-1eg7A:
0.0		 2a1hA-1eg7A:
20.35
2a1hB-1eg7A:
20.35
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.
1ekz MATERNAL EFFECT
PROTEIN (STAUFEN)

(Drosophila
melanogaster) 		PF00035
(dsrm) 		4 VAL A  46
GLY A  53
THR A  42
ALA A  43
 None
 0.82A 2a1hA-1ekzA:
undetectable
2a1hB-1ekzA:
undetectable		 2a1hA-1ekzA:
11.01
2a1hB-1ekzA:
11.01
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.
1h76 SEROTRANSFERRIN

(Sus scrofa) 		PF00405
(Transferrin) 		5 VAL A 546
TYR A 431
ARG A 641
THR A 463
ALA A 464
 None
FE  A 703 ( 4.2A)
None
CO3  A 701 (-4.3A)
CO3  A 701 (-3.2A)
 1.37A 2a1hA-1h76A:
0.0
2a1hB-1h76A:
0.0		 2a1hA-1h76A:
19.40
2a1hB-1h76A:
19.40
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.
1ihc GEPHYRIN

(Rattus
norvegicus) 		PF00994
(MoCF_biosynth) 		4 VAL A  59
THR A  69
THR A 100
ALA A  99
 None
 0.69A 2a1hA-1ihcA:
undetectable
2a1hB-1ihcA:
undetectable		 2a1hA-1ihcA:
19.57
2a1hB-1ihcA:
19.57
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.
1iiw SLR1257 PROTEIN

(Synechocystis
sp. PCC 6803) 		PF00497
(SBP_bac_3) 		4 VAL A 156
GLY A 102
THR A 103
ALA A 104
 None
 0.82A 2a1hA-1iiwA:
undetectable
2a1hB-1iiwA:
undetectable		 2a1hA-1iiwA:
22.37
2a1hB-1iiwA:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1khd ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE

(Pectobacterium
carotovorum) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N) 		4 VAL A 306
GLY A 332
THR A 333
ALA A 334
 None
 0.87A 2a1hA-1khdA:
undetectable
2a1hB-1khdA:
undetectable		 2a1hA-1khdA:
22.63
2a1hB-1khdA:
22.63
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)
 0.15A 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) 		5 TYR A 141
ARG A 143
THR A 240
GLY A 312
THR A 313
 ILP  A 400 (-4.5A)
None
ILP  A 400 (-3.9A)
ILP  A 400 (-3.5A)
ILP  A 400 (-3.6A)
 0.64A 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 VAL A 166
TYR A  56
THR A  51
ALA A  50
 None
 0.84A 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
 0.81A 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.
1n7r HYALURONIDASE

(Streptococcus
pneumoniae) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		4 TYR A 543
ARG A 540
GLY A 565
ALA A 554
 None
 0.70A 2a1hA-1n7rA:
undetectable
2a1hB-1n7rA:
undetectable		 2a1hA-1n7rA:
19.59
2a1hB-1n7rA:
19.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o8c YHDH

(Escherichia
coli) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 THR A 319
GLY A 125
THR A 126
ALA A 127
 None
None
NDP  A1325 (-4.4A)
NDP  A1325 ( 4.0A)
 0.76A 2a1hA-1o8cA:
undetectable
2a1hB-1o8cA:
undetectable		 2a1hA-1o8cA:
25.00
2a1hB-1o8cA:
25.00
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.
1rw9 CHONDROITIN AC LYASE

(Paenarthrobacter
aurescens) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		4 THR A 602
GLY A 590
THR A 441
ALA A 440
 None
 0.88A 2a1hA-1rw9A:
undetectable
2a1hB-1rw9A:
undetectable		 2a1hA-1rw9A:
19.15
2a1hB-1rw9A:
19.15
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.
1s5j DNA POLYMERASE I

(Sulfolobus
solfataricus) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		4 VAL A 555
GLY A 633
THR A 630
ALA A 631
 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.
1sny SNIFFER CG10964-PA

(Drosophila
melanogaster) 		PF00106
(adh_short) 		4 VAL A 239
THR A 226
GLY A 221
THR A 220
 None
 0.86A 2a1hA-1snyA:
undetectable
2a1hB-1snyA:
undetectable		 2a1hA-1snyA:
20.55
2a1hB-1snyA:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t35 HYPOTHETICAL PROTEIN
YVDD, PUTATIVE
LYSINE DECARBOXYLASE

(Bacillus
subtilis) 		PF03641
(Lysine_decarbox) 		4 VAL A   6
GLY A  58
THR A  59
ALA A  60
 None
 0.82A 2a1hA-1t35A:
undetectable
2a1hB-1t35A:
undetectable		 2a1hA-1t35A:
19.60
2a1hB-1t35A:
19.60
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.
1v6a L-LACTATE
DEHYDROGENASE A
CHAIN

(Cyprinus carpio) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 VAL A 303
THR A 275
GLY A 162
THR A 163
 None
 0.55A 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 VAL A 228
GLY A 218
THR A 215
ALA A 216
 None
 0.85A 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.
1wst MULTIPLE SUBSTRATE
AMINOTRANSFERASE

(Thermococcus
profundus) 		PF00155
(Aminotran_1_2) 		4 TYR A 187
VAL A 220
GLY A 264
THR A 252
 None
None
None
PLP  A 418 (-3.0A)
 0.85A 2a1hA-1wstA:
undetectable
2a1hB-1wstA:
undetectable		 2a1hA-1wstA:
24.94
2a1hB-1wstA:
24.94
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.
1x0m AMINOTRANSFERASE II
HOMOLOGUE

(Pyrococcus
horikoshii) 		PF00155
(Aminotran_1_2) 		4 TYR A 201
VAL A 234
GLY A 278
THR A 266
 None
 0.83A 2a1hA-1x0mA:
undetectable
2a1hB-1x0mA:
undetectable		 2a1hA-1x0mA:
22.35
2a1hB-1x0mA:
22.35
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.
1x87 UROCANASE PROTEIN

(Geobacillus
stearothermophilus) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		4 VAL A 483
ARG A 437
GLY A 476
ALA A 478
 None
 0.88A 2a1hA-1x87A:
undetectable
2a1hB-1x87A:
undetectable		 2a1hA-1x87A:
20.74
2a1hB-1x87A:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y0y FRV OPERON PROTEIN
FRVX

(Pyrococcus
horikoshii) 		PF05343
(Peptidase_M42) 		5 TYR A 188
VAL A   7
GLY A 257
THR A 258
ALA A 336
 None
 1.29A 2a1hA-1y0yA:
undetectable
2a1hB-1y0yA:
undetectable		 2a1hA-1y0yA:
20.36
2a1hB-1y0yA:
20.36
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.
1y6j L-LACTATE
DEHYDROGENASE

(Ruminiclostridium
thermocellum) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 VAL A 288
THR A 261
GLY A 148
THR A 149
 None
 0.67A 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 VAL A  55
GLY A 109
THR A 110
ALA A 111
 None
 0.80A 2a1hA-1ysjA:
undetectable
2a1hB-1ysjA:
undetectable		 2a1hA-1ysjA:
23.09
2a1hB-1ysjA:
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.
1zye THIOREDOXIN-DEPENDEN
T PEROXIDE REDUCTASE

(Bos taurus) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		4 TYR A  39
GLY A  13
THR A  14
ALA A  15
 None
 0.83A 2a1hA-1zyeA:
undetectable
2a1hB-1zyeA:
undetectable		 2a1hA-1zyeA:
22.88
2a1hB-1zyeA:
22.88
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)
 0.40A 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 TYR B 314
VAL B 329
GLY B 586
ALA B 594
 None
 0.81A 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
 0.29A 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.
2eo5 419AA LONG
HYPOTHETICAL
AMINOTRANSFERASE

(Sulfurisphaera
tokodaii) 		PF00202
(Aminotran_3) 		4 VAL A 123
THR A 293
GLY A 113
THR A 114
 None
None
PLP  A1001 ( 3.4A)
PLP  A1001 ( 3.8A)
 0.86A 2a1hA-2eo5A:
undetectable
2a1hB-2eo5A:
undetectable		 2a1hA-2eo5A:
24.49
2a1hB-2eo5A:
24.49
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.
2evr COG0791: CELL
WALL-ASSOCIATED
HYDROLASES
(INVASION-ASSOCIATED
PROTEINS)

(Nostoc
punctiforme) 		PF00877
(NLPC_P60) 		5 TYR A 146
TYR A  64
GLY A 117
THR A  36
ALA A  35
 None
 1.23A 2a1hA-2evrA:
undetectable
2a1hB-2evrA:
undetectable		 2a1hA-2evrA:
20.05
2a1hB-2evrA:
20.05
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.
2fvm DIHYDROPYRIMIDINASE

(Lachancea
kluyveri) 		PF01979
(Amidohydro_1) 		5 VAL A 206
ARG A 335
THR A 171
THR A 237
ALA A 236
 None
 1.11A 2a1hA-2fvmA:
undetectable
2a1hB-2fvmA:
undetectable		 2a1hA-2fvmA:
21.08
2a1hB-2fvmA:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fwu SODIUM/CALCIUM
EXCHANGER 1

(Canis lupus) 		PF03160
(Calx-beta) 		5 VAL A 573
THR A 541
GLY A 544
THR A 545
ALA A 546
 None
 1.07A 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.
2hbw NLP/P60 PROTEIN

(Trichormus
variabilis) 		PF00877
(NLPC_P60) 		5 TYR A 146
TYR A  64
GLY A 117
THR A  36
ALA A  35
 None
UNL  A 237 (-4.9A)
UNL  A 237 ( 3.7A)
None
UNL  A 237 (-4.7A)
 1.27A 2a1hA-2hbwA:
undetectable
2a1hB-2hbwA:
undetectable		 2a1hA-2hbwA:
23.26
2a1hB-2hbwA:
23.26
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.
2jya UNCHARACTERIZED
PROTEIN ATU1810

(Agrobacterium
fabrum) 		PF04800
(ETC_C1_NDUFA4) 		4 VAL A  24
GLY A  16
THR A  17
ALA A  18
 None
 0.85A 2a1hA-2jyaA:
undetectable
2a1hB-2jyaA:
undetectable		 2a1hA-2jyaA:
12.92
2a1hB-2jyaA:
12.92
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.
2kmx COPPER-TRANSPORTING
ATPASE 1

(Homo sapiens) 		PF00702
(Hydrolase) 		4 VAL A1218
GLY A1078
THR A1079
ALA A1080
 None
 0.67A 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 VAL A  60
GLY A  30
THR A  31
ALA A  32
 None
 0.87A 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
 0.72A 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.
2p4g HYPOTHETICAL PROTEIN

(Corynebacterium
diphtheriae) 		PF01872
(RibD_C) 		4 VAL A  90
GLY A  78
THR A  81
ALA A  82
 EDO  A 275 ( 4.4A)
EDO  A 282 ( 3.4A)
EDO  A 284 ( 3.5A)
EDO  A 276 ( 3.7A)
 0.82A 2a1hA-2p4gA:
undetectable
2a1hB-2p4gA:
undetectable		 2a1hA-2p4gA:
20.81
2a1hB-2p4gA:
20.81
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.
2pg0 ACYL-COA
DEHYDROGENASE

(Geobacillus
kaustophilus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 TYR A 368
THR A 330
THR A 258
ALA A 259
 FAD  A 401 (-4.8A)
None
None
None
 0.61A 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 VAL A  15
GLY A  59
THR A  60
ALA A  61
 None
 0.88A 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.
2q49 PROBABLE
N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE
REDUCTASE

(Arabidopsis
thaliana) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		4 ARG A 116
THR A  28
GLY A 334
ALA A 336
 None
 0.87A 2a1hA-2q49A:
undetectable
2a1hB-2q49A:
undetectable		 2a1hA-2q49A:
21.78
2a1hB-2q49A:
21.78
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.
2q6u NIKD PROTEIN

(Streptomyces
tendae) 		PF01266
(DAO) 		4 THR A  95
GLY A 106
THR A 107
ALA A 108
 None
 0.81A 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.
2qko POSSIBLE
TRANSCRIPTIONAL
REGULATOR, TETR
FAMILY PROTEIN

(Rhodococcus
jostii) 		PF00440
(TetR_N) 		4 VAL A  18
GLY A  41
THR A  42
ALA A  43
 None
 0.80A 2a1hA-2qkoA:
undetectable
2a1hB-2qkoA:
undetectable		 2a1hA-2qkoA:
20.05
2a1hB-2qkoA:
20.05
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.
2qvk SODIUM/CALCIUM
EXCHANGER 1

(Canis lupus) 		PF03160
(Calx-beta) 		4 VAL A 514
GLY A 544
THR A 545
ALA A 546
 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.
2qvk SODIUM/CALCIUM
EXCHANGER 1

(Canis lupus) 		PF03160
(Calx-beta) 		5 VAL A 573
THR A 541
GLY A 544
THR A 586
ALA A 546
 None
 1.14A 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.
2qzu PUTATIVE SULFATASE
YIDJ

(Bacteroides
fragilis) 		PF00884
(Sulfatase) 		4 VAL A 286
TYR A 279
GLY A  40
ALA A  42
 None
 0.87A 2a1hA-2qzuA:
undetectable
2a1hB-2qzuA:
undetectable		 2a1hA-2qzuA:
20.52
2a1hB-2qzuA:
20.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v65 L-LACTATE
DEHYDROGENASE A
CHAIN

(Champsocephalus
gunnari) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 VAL A 302
THR A 273
GLY A 164
THR A 165
 None
 0.55A 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 VAL A 228
GLY A 218
THR A 215
ALA A 216
 None
 0.86A 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.
2x8r GLYCOSYL HYDROLASE

(Aspergillus
fumigatus) 		PF01183
(Glyco_hydro_25) 		4 TYR A  56
GLY A  63
THR A  60
ALA A  59
 None
 0.85A 2a1hA-2x8rA:
undetectable
2a1hB-2x8rA:
undetectable		 2a1hA-2x8rA:
19.17
2a1hB-2x8rA:
19.17
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.
2xtp GTPASE IMAP FAMILY
MEMBER 2

(Homo sapiens) 		PF04548
(AIG1) 		4 VAL A 129
THR A 141
GLY A 176
ALA A 174
 None
 0.81A 2a1hA-2xtpA:
undetectable
2a1hB-2xtpA:
undetectable		 2a1hA-2xtpA:
21.67
2a1hB-2xtpA:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xtq COLICIN-M

(Escherichia
coli) 		PF14859
(Colicin_M) 		5 TYR A 255
THR A 234
GLY A 193
THR A 192
ALA A 194
 None
 1.45A 2a1hA-2xtqA:
undetectable
2a1hB-2xtqA:
undetectable		 2a1hA-2xtqA:
21.47
2a1hB-2xtqA:
21.47
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.
2y27 PHENYLACETATE-COENZY
ME A LIGASE

(Burkholderia
cenocepacia) 		PF00501
(AMP-binding)
PF14535
(AMP-binding_C_2) 		4 TYR A 301
THR A 101
GLY A  95
THR A  96
 None
None
ATP  A 508 (-3.2A)
ATP  A 508 (-3.3A)
 0.87A 2a1hA-2y27A:
undetectable
2a1hB-2y27A:
undetectable		 2a1hA-2y27A:
22.87
2a1hB-2y27A:
22.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a2l HALOALKANE
DEHALOGENASE

(Bradyrhizobium
japonicum) 		PF00561
(Abhydrolase_1) 		5 TYR A 242
VAL A 120
GLY A 105
THR A 106
ALA A 101
 None
 1.36A 2a1hA-3a2lA:
undetectable
2a1hB-3a2lA:
undetectable		 2a1hA-3a2lA:
21.18
2a1hB-3a2lA:
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.
3akc CYTIDYLATE KINASE

(Thermus
thermophilus) 		PF02224
(Cytidylate_kin) 		5 TYR A  37
VAL A 110
GLY A 129
THR A 130
ALA A 131
 CDP  A 209 (-3.9A)
None
None
None
None
 1.02A 2a1hA-3akcA:
undetectable
2a1hB-3akcA:
undetectable		 2a1hA-3akcA:
21.37
2a1hB-3akcA:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aov PUTATIVE
UNCHARACTERIZED
PROTEIN PH0207

(Pyrococcus
horikoshii) 		PF00155
(Aminotran_1_2) 		4 TYR A 201
VAL A 234
GLY A 278
THR A 266
 None
None
None
PLP  A 429 (-3.1A)
 0.85A 2a1hA-3aovA:
undetectable
2a1hB-3aovA:
undetectable		 2a1hA-3aovA:
23.24
2a1hB-3aovA:
23.24
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.
3cp2 TRNA URIDINE
5-CARBOXYMETHYLAMINO
METHYL MODIFICATION
ENZYME GIDA

(Escherichia
coli) 		PF01134
(GIDA)
PF13932
(GIDA_assoc) 		4 TYR A 104
THR A  19
GLY A 384
ALA A 380
 None
None
None
SO4  A 630 ( 3.7A)
 0.72A 2a1hA-3cp2A:
undetectable
2a1hB-3cp2A:
undetectable		 2a1hA-3cp2A:
19.31
2a1hB-3cp2A:
19.31
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.
3cwu DNA-3-METHYLADENINE
GLYCOSYLASE 2

(Escherichia
coli) 		PF00730
(HhH-GPD)
PF06029
(AlkA_N) 		4 THR A 211
GLY A 216
THR A 219
ALA A 220
 None
 0.86A 2a1hA-3cwuA:
undetectable
2a1hB-3cwuA:
undetectable		 2a1hA-3cwuA:
22.60
2a1hB-3cwuA:
22.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dd6 RIBONUCLEASE PH

(Bacillus
anthracis) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		4 ARG A  86
THR A  35
THR A  70
ALA A  69
 SO4  A 301 ( 3.8A)
None
None
None
 0.85A 2a1hA-3dd6A:
undetectable
2a1hB-3dd6A:
undetectable		 2a1hA-3dd6A:
23.10
2a1hB-3dd6A:
23.10
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)
 0.26A 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.
3e9t NA/CA EXCHANGE
PROTEIN

(Drosophila
melanogaster) 		PF03160
(Calx-beta) 		4 VAL A 453
GLY A 483
THR A 484
ALA A 485
 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.
3e9y ACETOLACTATE
SYNTHASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 VAL A 115
GLY A 194
THR A 167
ALA A 166
 None
 0.88A 2a1hA-3e9yA:
undetectable
2a1hB-3e9yA:
undetectable		 2a1hA-3e9yA:
21.75
2a1hB-3e9yA:
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.
3eb8 CYSTEINE
PROTEASE-LIKE VIRA

(Shigella
flexneri) 		PF06872
(EspG) 		4 VAL A 326
GLY A 372
THR A 373
ALA A 269
 None
 0.76A 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 VAL A 326
GLY A 372
THR A 373
ALA A 269
 None
 0.87A 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.
3f2v GENERAL STRESS
PROTEIN 14

(Treponema
denticola) 		PF02525
(Flavodoxin_2) 		4 VAL A  49
THR A  86
GLY A  95
ALA A  97
 None
 0.81A 2a1hA-3f2vA:
undetectable
2a1hB-3f2vA:
undetectable		 2a1hA-3f2vA:
18.18
2a1hB-3f2vA:
18.18
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.
3f5d PROTEIN YDEA

(Bacillus
subtilis) 		PF01965
(DJ-1_PfpI) 		4 VAL A 143
GLY A 153
THR A 154
ALA A 155
 None
 0.86A 2a1hA-3f5dA:
undetectable
2a1hB-3f5dA:
undetectable		 2a1hA-3f5dA:
19.30
2a1hB-3f5dA:
19.30
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.
3fcj NITROALKANE OXIDASE

(Fusarium
oxysporum) 		PF00441
(Acyl-CoA_dh_1)
PF02771
(Acyl-CoA_dh_N) 		4 VAL A 280
GLY A 100
THR A  97
ALA A  98
 None
 0.81A 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.
3fq4 INTEGRIN BETA-4

(Homo sapiens) 		PF03160
(Calx-beta) 		4 VAL A1001
GLY A1031
THR A1032
ALA A1033
 None
 0.88A 2a1hA-3fq4A:
undetectable
2a1hB-3fq4A:
undetectable		 2a1hA-3fq4A:
16.62
2a1hB-3fq4A:
16.62
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.
3g05 TRNA URIDINE
5-CARBOXYMETHYLAMINO
METHYL MODIFICATION
ENZYME MNMG

(Escherichia
coli) 		PF01134
(GIDA)
PF13932
(GIDA_assoc) 		4 TYR A 104
THR A  19
GLY A 384
ALA A 380
 None
None
None
SO4  A 551 (-3.6A)
 0.82A 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.
3g5t TRANS-ACONITATE
3-METHYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF13847
(Methyltransf_31) 		4 TYR A  21
GLY A  48
THR A  49
ALA A  50
 SAH  A 308 (-4.6A)
None
SAH  A 308 (-3.4A)
SAH  A 308 ( 4.6A)
 0.86A 2a1hA-3g5tA:
undetectable
2a1hB-3g5tA:
undetectable		 2a1hA-3g5tA:
20.80
2a1hB-3g5tA:
20.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gxk GOOSE-TYPE LYSOZYME
1

(Gadus morhua) 		PF01464
(SLT) 		4 TYR A 173
GLY A 122
THR A 121
ALA A 120
 None
 0.76A 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 VAL A 140
GLY A 232
THR A 233
ALA A 234
 None
ATP  A 301 (-3.1A)
ATP  A 301 (-4.7A)
None
 0.87A 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.
3h9m P-AMINOBENZOATE
SYNTHETASE,
COMPONENT I

(Cytophaga
hutchinsonii) 		PF00425
(Chorismate_bind) 		4 VAL A  94
GLY A 364
THR A 365
ALA A  86
 None
 0.88A 2a1hA-3h9mA:
undetectable
2a1hB-3h9mA:
undetectable		 2a1hA-3h9mA:
22.66
2a1hB-3h9mA:
22.66
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.
3hmj FATTY ACID SYNTHASE
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00109
(ketoacyl-synt)
PF01648
(ACPS)
PF02801
(Ketoacyl-synt_C) 		4 VAL A1404
GLY A1651
THR A1409
ALA A1408
 None
 0.88A 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.
3ic9 DIHYDROLIPOAMIDE
DEHYDROGENASE

(Colwellia
psychrerythraea) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 THR A 141
GLY A  14
THR A  15
ALA A  16
 FAD  A 490 (-4.0A)
FAD  A 490 (-3.2A)
FAD  A 490 (-4.4A)
FAD  A 490 (-3.6A)
 0.85A 2a1hA-3ic9A:
undetectable
2a1hB-3ic9A:
undetectable		 2a1hA-3ic9A:
23.00
2a1hB-3ic9A:
23.00
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.
3iqd OCTOPINE
DEHYDROGENASE

(Pecten maximus) 		PF02317
(Octopine_DH) 		4 VAL B 106
GLY B 173
THR B 174
ALA B 175
 None
 0.53A 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 VAL A  30
GLY A 207
THR A 210
ALA A 211
 None
 0.87A 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.
3jtx AMINOTRANSFERASE

(Neisseria
meningitidis) 		PF00155
(Aminotran_1_2) 		4 THR A 109
GLY A 139
THR A 136
ALA A 135
 None
 0.80A 2a1hA-3jtxA:
undetectable
2a1hB-3jtxA:
undetectable		 2a1hA-3jtxA:
21.41
2a1hB-3jtxA:
21.41
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.
3jyo QUINATE/SHIKIMATE
DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF08501
(Shikimate_dh_N) 		4 VAL A  96
GLY A  91
THR A  88
ALA A  87
 None
 0.77A 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.
3kd9 COENZYME A DISULFIDE
REDUCTASE

(Pyrococcus
horikoshii) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 THR A 264
GLY A 257
THR A 259
ALA A 261
 None
 0.84A 2a1hA-3kd9A:
undetectable
2a1hB-3kd9A:
undetectable		 2a1hA-3kd9A:
22.18
2a1hB-3kd9A:
22.18
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.
3lgs 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASES

(Arabidopsis
thaliana) 		PF01048
(PNP_UDP_1) 		4 THR A 245
GLY A 250
THR A 251
ALA A 252
 EDO  A2638 ( 4.2A)
None
None
None
 0.86A 2a1hA-3lgsA:
undetectable
2a1hB-3lgsA:
undetectable		 2a1hA-3lgsA:
21.47
2a1hB-3lgsA:
21.47
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.
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.
3lun ULILYSIN

(Methanosarcina
acetivorans) 		PF05572
(Peptidase_M43) 		4 VAL A  71
GLY A 223
THR A 225
ALA A 226
 None
 0.82A 2a1hA-3lunA:
undetectable
2a1hB-3lunA:
undetectable		 2a1hA-3lunA:
19.68
2a1hB-3lunA:
19.68
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.
3mc2 INHIBITOR OF
CARBONIC ANHYDRASE

(Mus musculus) 		PF00405
(Transferrin) 		4 VAL A 205
GLY A 198
THR A 199
ALA A 200
 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 TYR A 176
GLY A 197
THR A 198
ALA A 199
 None
 0.73A 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.
3nx4 PUTATIVE
OXIDOREDUCTASE

(Salmonella
enterica) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 THR A 319
GLY A 125
THR A 126
ALA A 127
 None
None
NAP  A 330 (-4.7A)
NAP  A 330 ( 4.2A)
 0.77A 2a1hA-3nx4A:
undetectable
2a1hB-3nx4A:
undetectable		 2a1hA-3nx4A:
24.49
2a1hB-3nx4A:
24.49
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.
3p1j GTPASE IMAP FAMILY
MEMBER 2

(Homo sapiens) 		PF04548
(AIG1) 		4 VAL A 129
THR A 141
GLY A 176
ALA A 174
 None
None
UNX  A   1 ( 4.0A)
None
 0.77A 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.
3pg7 NEUROFIBROMIN

(Homo sapiens) 		PF13716
(CRAL_TRIO_2) 		5 TYR A1762
ARG A1590
GLY A1737
THR A1739
ALA A1740
 None
 1.45A 2a1hA-3pg7A:
undetectable
2a1hB-3pg7A:
undetectable		 2a1hA-3pg7A:
21.83
2a1hB-3pg7A:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pmk NUCLEOCAPSID PROTEIN

(Recombinant
vesicular
stomatitis
Indiana virus
rVSV-G/GFP) 		PF00945
(Rhabdo_ncap) 		4 VAL A 245
THR A 238
GLY A 339
ALA A 337
 None
 0.63A 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
 0.77A 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 VAL A  10
GLY A  54
THR A  55
ALA A  56
 None
 0.74A 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.
3qpm PEROXIREDOXIN

(Larimichthys
crocea) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		4 TYR A 105
GLY A  79
THR A  80
ALA A  81
 None
 0.84A 2a1hA-3qpmA:
undetectable
2a1hB-3qpmA:
undetectable		 2a1hA-3qpmA:
22.83
2a1hB-3qpmA:
22.83
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.
3qxf ENDOGLUCANASE

(Escherichia
coli) 		PF01270
(Glyco_hydro_8) 		5 TYR A  59
TYR A 182
ARG A 246
THR A  53
ALA A 114
 None
 1.36A 2a1hA-3qxfA:
undetectable
2a1hB-3qxfA:
undetectable		 2a1hA-3qxfA:
21.28
2a1hB-3qxfA:
21.28
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.
3rm5 HYDROXYMETHYLPYRIMID
INE/PHOSPHOMETHYLPYR
IMIDINE KINASE THI20

(Saccharomyces
cerevisiae) 		PF03070
(TENA_THI-4)
PF08543
(Phos_pyr_kin) 		4 VAL A 410
TYR A 503
GLY A 510
ALA A 506
 None
 0.70A 2a1hA-3rm5A:
undetectable
2a1hB-3rm5A:
undetectable		 2a1hA-3rm5A:
20.63
2a1hB-3rm5A:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rty PERIOD CIRCADIAN
PROTEIN

(Drosophila
melanogaster) 		PF00989
(PAS)
PF14598
(PAS_11) 		4 THR A 476
GLY A 447
THR A 449
ALA A 450
 None
 0.84A 2a1hA-3rtyA:
undetectable
2a1hB-3rtyA:
undetectable		 2a1hA-3rtyA:
20.94
2a1hB-3rtyA:
20.94