SIMILAR PATTERNS OF AMINO ACIDS FOR 3HRD_B_NIOB5661

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.
1f26 NITRIC OXIDE
REDUCTASE

(Fusarium
oxysporum) 		PF00067
(p450) 		4 ILE A 248
THR A 368
LEU A 369
ALA A 272
 None
 0.84A 3hrdA-1f26A:
0.0
3hrdB-1f26A:
undetectable		 3hrdA-1f26A:
23.78
3hrdB-1f26A:
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.
1gpz COMPLEMENT C1R
COMPONENT

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin) 		4 PHE A 317
THR A 297
LEU A 298
ALA A 319
 None
 0.93A 3hrdA-1gpzA:
0.0
3hrdB-1gpzA:
undetectable		 3hrdA-1gpzA:
20.34
3hrdB-1gpzA:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gq8 PECTINESTERASE

(Daucus carota) 		PF01095
(Pectinesterase) 		4 ILE A 101
ALA A  98
PHE A  96
ALA A  91
 None
 0.92A 3hrdA-1gq8A:
0.0
3hrdB-1gq8A:
undetectable		 3hrdA-1gq8A:
24.41
3hrdB-1gq8A:
22.25
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.
1gxn PECTATE LYASE

(Cellvibrio
japonicus) 		PF09492
(Pec_lyase) 		4 ILE A 639
ALA A 541
THR A 545
ALA A 339
 None
 0.95A 3hrdA-1gxnA:
undetectable
3hrdB-1gxnA:
0.0		 3hrdA-1gxnA:
23.20
3hrdB-1gxnA:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kk0 EIF2GAMMA

(Pyrococcus
abyssi) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF09173
(eIF2_C) 		4 ILE A  48
ALA A 102
ARG A 389
LEU A 106
 None
 0.95A 3hrdA-1kk0A:
0.0
3hrdB-1kk0A:
0.0		 3hrdA-1kk0A:
22.69
3hrdB-1kk0A:
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.
1m2v PROTEIN TRANSPORT
PROTEIN SEC24

(Saccharomyces
cerevisiae) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		4 ALA B 722
PHE B 723
LEU B 476
ALA B 671
 None
 0.85A 3hrdA-1m2vB:
0.0
3hrdB-1m2vB:
0.0		 3hrdA-1m2vB:
18.00
3hrdB-1m2vB:
16.94
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.
1n1f INTERLEUKIN-19

(Homo sapiens) 		PF00726
(IL10) 		4 ILE A  50
ALA A 118
ASN A  62
LEU A  63
 None
 0.90A 3hrdA-1n1fA:
undetectable
3hrdB-1n1fA:
0.1		 3hrdA-1n1fA:
15.96
3hrdB-1n1fA:
16.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1osc SIMILAR TO DIVALENT
CATION TOLERANT
PROTEIN CUTA

(Rattus
norvegicus) 		PF03091
(CutA1) 		4 ILE A  27
ARG A  81
THR A  77
LEU A  76
 None
 0.87A 3hrdA-1oscA:
undetectable
3hrdB-1oscA:
undetectable		 3hrdA-1oscA:
14.78
3hrdB-1oscA:
16.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pqw POLYKETIDE SYNTHASE

(Mycobacterium
tuberculosis) 		PF00107
(ADH_zinc_N) 		4 ILE A  66
ALA A  59
LEU A 193
ALA A  26
 None
 0.76A 3hrdA-1pqwA:
undetectable
3hrdB-1pqwA:
undetectable		 3hrdA-1pqwA:
19.95
3hrdB-1pqwA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q8f PYRIMIDINE
NUCLEOSIDE HYDROLASE

(Escherichia
coli) 		PF01156
(IU_nuc_hydro) 		4 ILE A 140
ALA A 133
LEU A 121
ALA A 104
 None
 0.94A 3hrdA-1q8fA:
0.0
3hrdB-1q8fA:
undetectable		 3hrdA-1q8fA:
20.28
3hrdB-1q8fA:
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.
1r5n EUKARYOTIC PEPTIDE
CHAIN RELEASE FACTOR
GTP-BINDING SUBUNIT

(Schizosaccharomyces
pombe) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3) 		4 ILE A 244
ALA A 371
ARG A 372
ALA A 413
 None
 0.96A 3hrdA-1r5nA:
undetectable
3hrdB-1r5nA:
undetectable		 3hrdA-1r5nA:
21.97
3hrdB-1r5nA:
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.
1tmx HYDROXYQUINOL
1,2-DIOXYGENASE

(Pimelobacter
simplex) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		4 ILE A 192
ALA A 175
ARG A 176
LEU A 222
 None
 0.90A 3hrdA-1tmxA:
undetectable
3hrdB-1tmxA:
undetectable		 3hrdA-1tmxA:
21.72
3hrdB-1tmxA:
23.63
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.
1vhc PUTATIVE KHG/KDPG
ALDOLASE

(Haemophilus
influenzae) 		PF01081
(Aldolase) 		4 ILE A  21
ARG A  64
PHE A  67
ALA A  37
 None
 0.93A 3hrdA-1vhcA:
undetectable
3hrdB-1vhcA:
undetectable		 3hrdA-1vhcA:
18.96
3hrdB-1vhcA:
21.94
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.
1vs3 TRNA PSEUDOURIDINE
SYNTHASE A

(Thermus
thermophilus) 		PF01416
(PseudoU_synth_1) 		4 ILE A  39
ALA A  41
LEU A   4
ALA A  45
 None
 0.96A 3hrdA-1vs3A:
undetectable
3hrdB-1vs3A:
undetectable		 3hrdA-1vs3A:
20.42
3hrdB-1vs3A:
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.
1xk8 DIVALENT CATION
TOLERANT PROTEIN
CUTA

(Homo sapiens) 		PF03091
(CutA1) 		4 ILE A  61
ARG A 115
THR A 111
LEU A 110
 None
 0.71A 3hrdA-1xk8A:
undetectable
3hrdB-1xk8A:
undetectable		 3hrdA-1xk8A:
15.40
3hrdB-1xk8A:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bvt BETA-1,4-MANNANASE

(Cellulomonas
fimi) 		PF02156
(Glyco_hydro_26) 		4 ALA A 279
ARG A  28
LEU A 264
ALA A 271
 None
 0.89A 3hrdA-2bvtA:
undetectable
3hrdB-2bvtA:
undetectable		 3hrdA-2bvtA:
21.77
3hrdB-2bvtA:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cfm THERMOSTABLE DNA
LIGASE

(Pyrococcus
furiosus) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		4 ALA A 200
PHE A 179
LEU A 171
ALA A 178
 None
 0.85A 3hrdA-2cfmA:
undetectable
3hrdB-2cfmA:
undetectable		 3hrdA-2cfmA:
23.49
3hrdB-2cfmA:
21.25
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.
2cx4 BACTERIOFERRITIN
COMIGRATORY PROTEIN

(Aeropyrum
pernix) 		PF00578
(AhpC-TSA) 		4 ALA A  44
PHE A  45
THR A  50
LEU A  53
 None
 0.95A 3hrdA-2cx4A:
undetectable
3hrdB-2cx4A:
undetectable		 3hrdA-2cx4A:
19.29
3hrdB-2cx4A:
19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hj0 PUTATIVE CITRATE
LYASE, ALFA SUBUNIT

(Streptococcus
mutans) 		PF04223
(CitF) 		4 ILE A 309
ALA A 305
PHE A 276
LEU A 317
 None
 0.96A 3hrdA-2hj0A:
undetectable
3hrdB-2hj0A:
undetectable		 3hrdA-2hj0A:
21.38
3hrdB-2hj0A:
21.21
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.
2lqq PUTATIVE
GLUTAREDOXIN
RV3198.1/MT3292

(Mycobacterium
tuberculosis) 		PF00462
(Glutaredoxin) 		4 ILE A  82
ALA A  62
THR A   7
LEU A   6
 None
 0.84A 3hrdA-2lqqA:
undetectable
3hrdB-2lqqA:
undetectable		 3hrdA-2lqqA:
11.76
3hrdB-2lqqA:
13.64
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.
2poe CYCLOPHILIN-LIKE
PROTEIN, PUTATIVE

(Cryptosporidium
parvum) 		PF00160
(Pro_isomerase) 		4 ILE A  91
ALA A 110
ASN A 115
THR A 116
 None
 0.80A 3hrdA-2poeA:
undetectable
3hrdB-2poeA:
undetectable		 3hrdA-2poeA:
16.35
3hrdB-2poeA:
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.
2qi2 CELL DIVISION
PROTEIN PELOTA
RELATED PROTEIN

(Thermoplasma
acidophilum) 		PF03463
(eRF1_1)
PF03465
(eRF1_3) 		4 ALA A 331
PHE A 257
LEU A 282
ALA A 260
 None
 0.89A 3hrdA-2qi2A:
undetectable
3hrdB-2qi2A:
undetectable		 3hrdA-2qi2A:
21.19
3hrdB-2qi2A:
23.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qlc DNA REPAIR PROTEIN
RADC HOMOLOG

(Chlorobaculum
tepidum) 		PF04002
(RadC) 		4 ILE A  44
PHE A  31
LEU A  95
ALA A  63
 None
 0.84A 3hrdA-2qlcA:
undetectable
3hrdB-2qlcA:
undetectable		 3hrdA-2qlcA:
16.89
3hrdB-2qlcA:
17.48
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.
2w4o CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE IV

(Homo sapiens) 		PF00069
(Pkinase) 		4 ALA A 142
THR A 231
LEU A 234
ALA A 273
 None
 0.96A 3hrdA-2w4oA:
undetectable
3hrdB-2w4oA:
undetectable		 3hrdA-2w4oA:
21.57
3hrdB-2w4oA:
22.31
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.
2w55 XANTHINE
DEHYDROGENASE

(Rhodobacter
capsulatus) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		4 ARG B 310
THR B 460
LEU B 461
ALA B 529
 HPA  B1780 (-3.4A)
HPA  B1780 (-3.6A)
None
HPA  B1780 ( 3.2A)
 0.71A 3hrdA-2w55B:
26.1
3hrdB-2w55B:
20.7		 3hrdA-2w55B:
19.60
3hrdB-2w55B:
19.33
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.
2yqu 2-OXOGLUTARATE
DEHYDROGENASE E3
COMPONENT

(Thermus
thermophilus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 ILE A 397
ALA A 417
LEU A 441
ALA A 430
 None
 0.90A 3hrdA-2yquA:
2.1
3hrdB-2yquA:
3.0		 3hrdA-2yquA:
25.35
3hrdB-2yquA:
24.30
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.
2zsg AMINOPEPTIDASE P,
PUTATIVE

(Thermotoga
maritima) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		4 ILE A  44
PHE A 115
LEU A 107
ALA A 114
 None
 0.93A 3hrdA-2zsgA:
undetectable
3hrdB-2zsgA:
undetectable		 3hrdA-2zsgA:
21.54
3hrdB-2zsgA:
23.60
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.
2zw4 BLEOMYCIN
ACETYLTRANSFERASE

(Streptomyces
verticillus) 		PF13302
(Acetyltransf_3) 		4 ILE A 287
THR A 197
LEU A 200
ALA A 222
 None
 0.87A 3hrdA-2zw4A:
undetectable
3hrdB-2zw4A:
undetectable		 3hrdA-2zw4A:
20.19
3hrdB-2zw4A:
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.
3cz5 TWO-COMPONENT
RESPONSE REGULATOR,
LUXR FAMILY

(Aurantimonas
manganoxydans) 		PF00072
(Response_reg) 		4 ALA A  94
PHE A  98
LEU A  59
ALA A 102
 None
None
PO4  A 201 (-4.4A)
None
 0.87A 3hrdA-3cz5A:
undetectable
3hrdB-3cz5A:
undetectable		 3hrdA-3cz5A:
18.56
3hrdB-3cz5A:
19.12
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.
3eh2 PROTEIN TRANSPORT
PROTEIN SEC24C

(Homo sapiens) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		4 ILE A  47
ALA A  70
PHE A 466
ALA A 436
 None
 0.89A 3hrdA-3eh2A:
undetectable
3hrdB-3eh2A:
undetectable		 3hrdA-3eh2A:
20.05
3hrdB-3eh2A:
17.41
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.
3fyf PROTEIN BVU-3222

(Bacteroides
vulgatus) 		PF14059
(DUF4251) 		4 ALA A 163
ASN A 161
THR A 160
ALA A  57
 None
 0.88A 3hrdA-3fyfA:
undetectable
3hrdB-3fyfA:
undetectable		 3hrdA-3fyfA:
16.94
3hrdB-3fyfA:
17.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g04 THYROTROPIN RECEPTOR

(Homo sapiens) 		PF13306
(LRR_5) 		4 ILE C 108
ARG C 112
ASN C 161
LEU C 138
 None
 0.84A 3hrdA-3g04C:
undetectable
3hrdB-3g04C:
undetectable		 3hrdA-3g04C:
21.00
3hrdB-3g04C:
22.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g6l CHITINASE

(Clonostachys
rosea) 		PF00704
(Glyco_hydro_18) 		4 ILE A 290
ASN A  43
LEU A  68
ALA A 397
 None
 0.92A 3hrdA-3g6lA:
undetectable
3hrdB-3g6lA:
undetectable		 3hrdA-3g6lA:
21.79
3hrdB-3g6lA:
22.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3glg DNA POLYMERASE III
SUBUNIT DELTA'

(Escherichia
coli) 		PF09115
(DNApol3-delta_C)
PF13177
(DNA_pol3_delta2) 		4 ALA E 243
ARG E 244
ASN E 209
LEU E 204
 None
 0.79A 3hrdA-3glgE:
undetectable
3hrdB-3glgE:
undetectable		 3hrdA-3glgE:
21.41
3hrdB-3glgE:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hba PUTATIVE
PHOSPHOSUGAR
ISOMERASE

(Shewanella
denitrificans) 		PF01380
(SIS) 		4 ALA A  59
PHE A  63
LEU A 158
ALA A 165
 None
 0.69A 3hrdA-3hbaA:
undetectable
3hrdB-3hbaA:
2.8		 3hrdA-3hbaA:
22.67
3hrdB-3hbaA:
25.13
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.
3hba PUTATIVE
PHOSPHOSUGAR
ISOMERASE

(Shewanella
denitrificans) 		PF01380
(SIS) 		4 ILE A  96
PHE A  63
LEU A 158
ALA A 165
 None
 0.80A 3hrdA-3hbaA:
undetectable
3hrdB-3hbaA:
2.8		 3hrdA-3hbaA:
22.67
3hrdB-3hbaA:
25.13
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.
3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA

(Moorella
thermoacetica) 		PF03063
(Prismane) 		4 ILE A 386
ALA A 400
LEU A 287
ALA A 294
 None
 0.90A 3hrdA-3i04A:
undetectable
3hrdB-3i04A:
undetectable		 3hrdA-3i04A:
22.44
3hrdB-3i04A:
20.93
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.
3kdn RIBULOSE
BISPHOSPHATE
CARBOXYLASE

(Thermococcus
kodakarensis) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		4 ILE A  89
ALA A  72
THR A  52
ALA A  95
 None
 0.89A 3hrdA-3kdnA:
undetectable
3hrdB-3kdnA:
undetectable		 3hrdA-3kdnA:
21.90
3hrdB-3kdnA:
22.52
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.
3kl7 PUTATIVE
METAL-DEPENDENT
HYDROLASE

(Parabacteroides
distasonis) 		PF13483
(Lactamase_B_3) 		4 ILE A  41
ALA A  64
THR A  68
ALA A  92
 None
 0.95A 3hrdA-3kl7A:
undetectable
3hrdB-3kl7A:
undetectable		 3hrdA-3kl7A:
20.09
3hrdB-3kl7A:
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.
3l76 ASPARTOKINASE

(Synechocystis
sp. PCC 6803) 		PF00696
(AA_kinase)
PF01842
(ACT)
PF13840
(ACT_7) 		4 ILE A 493
ALA A 459
PHE A 376
ALA A 372
 None
THR  A 602 (-3.8A)
None
LYS  A 604 (-3.8A)
 0.86A 3hrdA-3l76A:
undetectable
3hrdB-3l76A:
undetectable		 3hrdA-3l76A:
23.20
3hrdB-3l76A:
21.43
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.
3myb ENOYL-COA HYDRATASE

(Mycolicibacterium
smegmatis) 		PF00378
(ECH_1) 		4 ALA A 109
PHE A  62
LEU A 178
ALA A 103
 None
 0.95A 3hrdA-3mybA:
undetectable
3hrdB-3mybA:
undetectable		 3hrdA-3mybA:
22.76
3hrdB-3mybA:
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.
3n2x UNCHARACTERIZED
PROTEIN YAGE

(Escherichia
coli) 		PF00701
(DHDPS) 		4 ILE A  17
ALA A 218
THR A 210
LEU A 211
 None
 0.64A 3hrdA-3n2xA:
undetectable
3hrdB-3n2xA:
undetectable		 3hrdA-3n2xA:
22.10
3hrdB-3n2xA:
25.28
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.
3p3k TRANSLATIONALLY-CONT
ROLLED TUMOR PROTEIN
HOMOLOG

(Plasmodium
falciparum) 		PF00838
(TCTP) 		4 ILE A 125
ALA A 121
PHE A 117
ALA A 103
 None
 0.85A 3hrdA-3p3kA:
undetectable
3hrdB-3p3kA:
undetectable		 3hrdA-3p3kA:
16.90
3hrdB-3p3kA:
18.52
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.
3p5p TAXADIENE SYNTHASE

(Taxus
brevifolia) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		4 ILE A 391
THR A 411
LEU A 412
ALA A 454
 None
 0.68A 3hrdA-3p5pA:
undetectable
3hrdB-3p5pA:
undetectable		 3hrdA-3p5pA:
18.68
3hrdB-3p5pA:
18.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pz6 LEUCYL-TRNA
SYNTHETASE

(Giardia
intestinalis) 		PF00133
(tRNA-synt_1) 		4 ILE A 397
PHE A 393
ASN A 323
LEU A 320
 None
 0.96A 3hrdA-3pz6A:
undetectable
3hrdB-3pz6A:
undetectable		 3hrdA-3pz6A:
21.71
3hrdB-3pz6A:
21.64
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.
3qxf ENDOGLUCANASE

(Escherichia
coli) 		PF01270
(Glyco_hydro_8) 		4 ASN A 205
THR A 204
LEU A 208
ALA A 188
 None
 0.93A 3hrdA-3qxfA:
undetectable
3hrdB-3qxfA:
undetectable		 3hrdA-3qxfA:
20.44
3hrdB-3qxfA:
22.02
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.
3qy7 TYROSINE-PROTEIN
PHOSPHATASE YWQE

(Bacillus
subtilis) 		no annotation 4 ALA A 158
PHE A 122
LEU A 150
ALA A 118
 None
 0.91A 3hrdA-3qy7A:
undetectable
3hrdB-3qy7A:
undetectable		 3hrdA-3qy7A:
21.02
3hrdB-3qy7A:
21.51
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.
3rr5 DNA LIGASE

(Thermococcus
sp. 1519) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		4 ALA A 211
PHE A 190
LEU A 182
ALA A 189
 None
 0.89A 3hrdA-3rr5A:
undetectable
3hrdB-3rr5A:
undetectable		 3hrdA-3rr5A:
22.13
3hrdB-3rr5A:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vay HAD-SUPERFAMILY
HYDROLASE

(Pseudomonas
syringae group
genomosp. 3) 		PF13419
(HAD_2) 		4 ILE A   2
ALA A 175
THR A   6
ALA A 168
 None
 0.90A 3hrdA-3vayA:
undetectable
3hrdB-3vayA:
undetectable		 3hrdA-3vayA:
21.19
3hrdB-3vayA:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vzi CRISPR-ASSOCIATED
PROTEIN CAS5, DVULG
SUBTYPE

(Xanthomonas
oryzae) 		PF09704
(Cas_Cas5d) 		4 ALA A  14
PHE A  16
THR A 156
ALA A  35
 None
 0.83A 3hrdA-3vziA:
undetectable
3hrdB-3vziA:
undetectable		 3hrdA-3vziA:
19.16
3hrdB-3vziA:
22.62
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.
3zil AAR187CP

(Eremothecium
gossypii) 		PF16997
(Wap1) 		4 ILE A 295
ALA A 299
LEU A 373
ALA A 354
 None
 0.93A 3hrdA-3zilA:
undetectable
3hrdB-3zilA:
undetectable		 3hrdA-3zilA:
23.28
3hrdB-3zilA:
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.
4a1f REPLICATIVE DNA
HELICASE

(Helicobacter
pylori) 		PF03796
(DnaB_C) 		4 ILE A 347
ALA A 310
LEU A 341
ALA A 351
 None
 0.95A 3hrdA-4a1fA:
undetectable
3hrdB-4a1fA:
undetectable		 3hrdA-4a1fA:
20.31
3hrdB-4a1fA:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bg0 COMPLEMENT
REGULATOR-ACQUIRING
SURFACE PROTEIN 2
(CRASP-2 (CRASP-2)

(Borreliella
burgdorferi) 		no annotation 4 ILE A 130
ALA A 156
PHE A 200
ALA A 203
 None
 0.92A 3hrdA-4bg0A:
undetectable
3hrdB-4bg0A:
1.8		 3hrdA-4bg0A:
20.73
3hrdB-4bg0A:
23.08
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.
4bg0 COMPLEMENT
REGULATOR-ACQUIRING
SURFACE PROTEIN 2
(CRASP-2 (CRASP-2)

(Borreliella
burgdorferi) 		no annotation 4 ILE A 130
ALA A 156
PHE A 200
ALA A 204
 None
 0.87A 3hrdA-4bg0A:
undetectable
3hrdB-4bg0A:
1.8		 3hrdA-4bg0A:
20.73
3hrdB-4bg0A:
23.08
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.
4ds3 PHOSPHORIBOSYLGLYCIN
AMIDE
FORMYLTRANSFERASE

(Brucella
melitensis) 		PF00551
(Formyl_trans_N) 		4 ILE A  85
ALA A  31
PHE A  29
ALA A  23
 None
 0.96A 3hrdA-4ds3A:
undetectable
3hrdB-4ds3A:
undetectable		 3hrdA-4ds3A:
18.24
3hrdB-4ds3A:
21.60
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.
4dvy CYTOTOXICITY-ASSOCIA
TED IMMUNODOMINANT
ANTIGEN

(Helicobacter
pylori) 		no annotation 4 ILE P 138
ALA P  33
PHE P 172
ALA P 168
 None
 0.91A 3hrdA-4dvyP:
undetectable
3hrdB-4dvyP:
undetectable		 3hrdA-4dvyP:
18.74
3hrdB-4dvyP:
14.84
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.
4gr4 NON-RIBOSOMAL
PEPTIDE SYNTHETASE

(Streptomyces
lydicus) 		PF00501
(AMP-binding)
PF03621
(MbtH) 		4 ALA A 321
PHE A 322
LEU A 255
ALA A 328
 None
 0.94A 3hrdA-4gr4A:
undetectable
3hrdB-4gr4A:
undetectable		 3hrdA-4gr4A:
24.75
3hrdB-4gr4A:
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.
4gr5 NON-RIBOSOMAL
PEPTIDE SYNTHETASE

(Streptomyces
lydicus) 		PF00501
(AMP-binding)
PF03621
(MbtH) 		4 ALA A 321
PHE A 322
LEU A 255
ALA A 328
 None
 0.90A 3hrdA-4gr5A:
undetectable
3hrdB-4gr5A:
undetectable		 3hrdA-4gr5A:
23.97
3hrdB-4gr5A:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4haq GH7 FAMILY PROTEIN

(Limnoria
quadripunctata) 		PF00840
(Glyco_hydro_7) 		4 ILE A 322
ALA A 248
PHE A 368
LEU A 381
 None
 0.70A 3hrdA-4haqA:
undetectable
3hrdB-4haqA:
undetectable		 3hrdA-4haqA:
22.87
3hrdB-4haqA:
23.08
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.
4hea NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 13

(Thermus
thermophilus) 		PF00361
(Proton_antipo_M) 		4 ALA M 317
THR M  77
LEU M  73
ALA M 439
 None
 0.89A 3hrdA-4heaM:
undetectable
3hrdB-4heaM:
undetectable		 3hrdA-4heaM:
20.45
3hrdB-4heaM:
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.
4hea NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 13

(Thermus
thermophilus) 		PF00361
(Proton_antipo_M) 		4 ILE M 341
ALA M 409
PHE M 362
ALA M 358
 None
 0.90A 3hrdA-4heaM:
undetectable
3hrdB-4heaM:
undetectable		 3hrdA-4heaM:
20.45
3hrdB-4heaM:
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.
4hjc ENVELOPE
GLYCOPROTEIN

(Rift Valley
fever
phlebovirus) 		PF07245
(Phlebovirus_G2) 		4 ILE A 695
ALA A 719
PHE A1015
THR A1012
 None
 0.78A 3hrdA-4hjcA:
undetectable
3hrdB-4hjcA:
undetectable		 3hrdA-4hjcA:
20.55
3hrdB-4hjcA:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ihq FLAI ATPASE

(Sulfolobus
acidocaldarius) 		PF00437
(T2SSE) 		4 ILE A 412
ALA A 389
PHE A 391
ALA A 361
 None
 0.70A 3hrdA-4ihqA:
undetectable
3hrdB-4ihqA:
undetectable		 3hrdA-4ihqA:
21.27
3hrdB-4ihqA:
21.94
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.
4lgv GLUCOSE-6-PHOSPHATE
1-DEHYDROGENASE

(Mycobacterium
avium) 		PF00479
(G6PD_N)
PF02781
(G6PD_C) 		4 ILE A  17
ALA A  22
LEU A  30
ALA A  63
 None
 0.95A 3hrdA-4lgvA:
undetectable
3hrdB-4lgvA:
undetectable		 3hrdA-4lgvA:
22.91
3hrdB-4lgvA:
22.09
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.
4muz OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Archaeoglobus
fulgidus) 		PF00215
(OMPdecase) 		4 ILE A  80
ALA A  91
PHE A  95
ALA A  99
 None
 0.90A 3hrdA-4muzA:
undetectable
3hrdB-4muzA:
undetectable		 3hrdA-4muzA:
21.08
3hrdB-4muzA:
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.
4ne4 ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(PROLINE/GLYCINE/BET
AINE)

(Agrobacterium
fabrum) 		PF04069
(OpuAC) 		4 ILE A  24
THR A 256
LEU A 260
ALA A 107
 None
None
None
CL  A 302 ( 4.6A)
 0.67A 3hrdA-4ne4A:
undetectable
3hrdB-4ne4A:
undetectable		 3hrdA-4ne4A:
22.38
3hrdB-4ne4A:
24.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE

(Homo sapiens) 		PF00067
(p450) 		4 ILE A 205
PHE A 114
THR A 294
ALA A 113
 3QZ  A 601 ( 3.4A)
3QZ  A 601 ( 4.1A)
None
HEM  A 600 ( 2.9A)
 0.84A 3hrdA-4nkyA:
undetectable
3hrdB-4nkyA:
0.4		 3hrdA-4nkyA:
21.41
3hrdB-4nkyA:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oe7 PROBABLE
2-KETO-3-DEOXY-GALAC
TONATE ALDOLASE YAGE

(Escherichia
coli) 		PF00701
(DHDPS) 		4 ILE A  17
ALA A 218
THR A 210
LEU A 211
 None
 0.64A 3hrdA-4oe7A:
undetectable
3hrdB-4oe7A:
undetectable		 3hrdA-4oe7A:
20.27
3hrdB-4oe7A:
25.53
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.
4pcl O-METHYLTRANSFERASE
FAMILY PROTEIN

(Anaplasma
phagocytophilum) 		PF01596
(Methyltransf_3) 		4 ILE A  84
ALA A  71
LEU A 106
ALA A  97
 None
 0.93A 3hrdA-4pclA:
undetectable
3hrdB-4pclA:
undetectable		 3hrdA-4pclA:
20.84
3hrdB-4pclA:
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.
4rbn SUCROSE
SYNTHASE:GLYCOSYL
TRANSFERASES GROUP 1

(Nitrosomonas
europaea) 		PF00534
(Glycos_transf_1)
PF00862
(Sucrose_synth) 		4 ILE A 465
ALA A 462
ASN A 406
ALA A 409
 None
 0.94A 3hrdA-4rbnA:
undetectable
3hrdB-4rbnA:
undetectable		 3hrdA-4rbnA:
20.79
3hrdB-4rbnA:
16.52
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.
4wep PUTATIVE
OSMOPROTECTANT
UPTAKE SYSTEM
SUBSTRATE-BINDING
PROTEIN OSMF

(Escherichia
coli) 		PF04069
(OpuAC) 		4 ILE A  43
THR A 275
LEU A 279
ALA A 126
 None
 0.67A 3hrdA-4wepA:
undetectable
3hrdB-4wepA:
undetectable		 3hrdA-4wepA:
21.28
3hrdB-4wepA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xmv AMINOPEPTIDASE N

(Escherichia
coli) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		4 ALA A 415
ARG A 311
THR A 417
LEU A 318
 None
 0.88A 3hrdA-4xmvA:
undetectable
3hrdB-4xmvA:
undetectable		 3hrdA-4xmvA:
20.59
3hrdB-4xmvA:
16.75
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.
4yjf D-AMINO-ACID OXIDASE

(Sus scrofa) 		PF01266
(DAO) 		4 ALA B   8
PHE B  39
THR B 149
LEU B 152
 FAD  B 401 (-3.8A)
None
None
None
 0.89A 3hrdA-4yjfB:
undetectable
3hrdB-4yjfB:
undetectable		 3hrdA-4yjfB:
22.46
3hrdB-4yjfB:
23.12
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.
5ah0 LIPASE

(Pelosinus
fermentans) 		no annotation 4 ILE A  80
THR A 134
LEU A 138
ALA A 127
 None
 0.96A 3hrdA-5ah0A:
undetectable
3hrdB-5ah0A:
undetectable		 3hrdA-5ah0A:
20.54
3hrdB-5ah0A:
24.00
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.
5c6f BACTERIAL NON-HEME
FERRITIN

(Helicobacter
pylori) 		PF00210
(Ferritin) 		4 ILE A  86
ALA A  90
PHE A 134
LEU A  23
 None
 0.90A 3hrdA-5c6fA:
undetectable
3hrdB-5c6fA:
undetectable		 3hrdA-5c6fA:
16.00
3hrdB-5c6fA:
15.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ees 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
REDUCTASE

(Corynebacterium
glutamicum) 		PF01113
(DapB_N)
PF05173
(DapB_C) 		4 ILE A 184
ALA A 128
PHE A 202
ALA A 121
 None
 0.94A 3hrdA-5eesA:
undetectable
3hrdB-5eesA:
undetectable		 3hrdA-5eesA:
21.85
3hrdB-5eesA:
24.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fsh CSM6

(Thermus
thermophilus) 		PF09670
(Cas_Cas02710) 		4 ILE A 435
ALA A 439
LEU A 335
ALA A 305
 None
 0.89A 3hrdA-5fshA:
undetectable
3hrdB-5fshA:
undetectable		 3hrdA-5fshA:
23.65
3hrdB-5fshA:
20.67
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.
5hos CELLULASE

(Xanthomonas
citri) 		PF00150
(Cellulase) 		4 ILE A  54
PHE A 125
LEU A 117
ALA A 124
 None
 0.79A 3hrdA-5hosA:
undetectable
3hrdB-5hosA:
undetectable		 3hrdA-5hosA:
20.63
3hrdB-5hosA:
23.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i6c URIC ACID-XANTHINE
PERMEASE

(Aspergillus
nidulans) 		PF00860
(Xan_ur_permease) 		4 ILE A 157
ALA A 161
PHE A 165
ALA A 188
 None
 0.92A 3hrdA-5i6cA:
undetectable
3hrdB-5i6cA:
undetectable		 3hrdA-5i6cA:
23.55
3hrdB-5i6cA:
21.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iz2 MAJOR AMPULLATE
SPIDROIN 1A

(Nephila
clavipes) 		no annotation 4 ILE B 124
ALA B  81
PHE B  33
ALA B  27
 None
 0.83A 3hrdA-5iz2B:
undetectable
3hrdB-5iz2B:
undetectable		 3hrdA-5iz2B:
16.47
3hrdB-5iz2B:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jp0 BETA-GLUCOSIDASE
BOGH3B

(Bacteroides
ovatus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 ILE A 133
ALA A 181
PHE A 217
ALA A 213
 None
 0.80A 3hrdA-5jp0A:
undetectable
3hrdB-5jp0A:
undetectable		 3hrdA-5jp0A:
20.03
3hrdB-5jp0A:
17.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5klf CARBOHYDRATE BINDING
MODULE E1

(uncultured
bacterium) 		no annotation 4 ILE A  31
ALA A  25
PHE A  90
ALA A  86
 None
 0.76A 3hrdA-5klfA:
undetectable
3hrdB-5klfA:
undetectable		 3hrdA-5klfA:
13.77
3hrdB-5klfA:
16.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kyu PROTEIN TRANSPORT
PROTEIN SEC24D

(Homo sapiens) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		4 ILE B 313
ALA B 336
PHE B 732
ALA B 702
 None
 0.88A 3hrdA-5kyuB:
undetectable
3hrdB-5kyuB:
undetectable		 3hrdA-5kyuB:
20.54
3hrdB-5kyuB:
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.
5liv CYTOCHROME P450
CYP260A1,CYTOCHROME
P450 CYP260A1

(Sorangium
cellulosum) 		PF00067
(p450) 		4 ILE A 316
ALA A 400
THR A 284
ALA A 179
 None
None
HEM  A 501 (-3.9A)
None
 0.81A 3hrdA-5livA:
undetectable
3hrdB-5livA:
0.1		 3hrdA-5livA:
23.26
3hrdB-5livA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m09 SERINE/THREONINE-PRO
TEIN KINASE PKNI

(Mycobacterium
tuberculosis) 		PF00069
(Pkinase) 		4 ALA A 250
PHE A 241
LEU A 225
ALA A 232
 None
 0.82A 3hrdA-5m09A:
undetectable
3hrdB-5m09A:
undetectable		 3hrdA-5m09A:
20.47
3hrdB-5m09A:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n4g HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ILE H  51
ALA H  53
THR H  74
ALA H  24
 None
 0.95A 3hrdA-5n4gH:
undetectable
3hrdB-5n4gH:
undetectable		 3hrdA-5n4gH:
20.00
3hrdB-5n4gH:
20.93
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.
5oi9 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Trichoplax
adhaerens) 		no annotation 4 ILE A 167
ALA A 169
LEU A  45
ALA A  52
 None
 0.85A 3hrdA-5oi9A:
undetectable
3hrdB-5oi9A:
undetectable		 3hrdA-5oi9A:
12.00
3hrdB-5oi9A:
18.40
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.
5tjz 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
REDUCTASE

(Mycobacterium
tuberculosis) 		no annotation 4 ILE A 180
ALA A 126
PHE A 198
ALA A 119
 None
 0.95A 3hrdA-5tjzA:
undetectable
3hrdB-5tjzA:
undetectable		 3hrdA-5tjzA:
12.86
3hrdB-5tjzA:
15.64
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.
5u1b MTRE
PROTEIN,FERRITIN
CHIMERA

(Helicobacter
pylori;
Neisseria
gonorrhoeae) 		no annotation 4 ILE A  86
ALA A  90
PHE A 134
LEU A  23
 None
 0.95A 3hrdA-5u1bA:
undetectable
3hrdB-5u1bA:
undetectable		 3hrdA-5u1bA:
18.41
3hrdB-5u1bA:
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.
5u9p GLUCONATE
5-DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF13561
(adh_short_C2) 		4 ILE A  41
ALA A  29
LEU A  16
ALA A  37
 None
 0.95A 3hrdA-5u9pA:
undetectable
3hrdB-5u9pA:
undetectable		 3hrdA-5u9pA:
21.96
3hrdB-5u9pA:
21.80
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.
5ucd NAD(P)-DEPENDENT
BENZALDEHYDE
DEHYDROGENASE

(Pseudomonas
putida) 		PF00171
(Aldedh) 		4 ILE A 250
ALA A 399
PHE A 400
ALA A  71
 ZBZ  A 249 ( 4.0A)
ZBZ  A 249 ( 4.3A)
None
None
 0.86A 3hrdA-5ucdA:
undetectable
3hrdB-5ucdA:
undetectable		 3hrdA-5ucdA:
23.48
3hrdB-5ucdA:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uve SUBSTRATE-BINDING
REGION OF ABC-TYPE
GLYCINE BETAINE
TRANSPORT SYSTEM

(Brucella
abortus) 		PF04069
(OpuAC) 		4 ILE A  42
THR A 274
LEU A 278
ALA A 125
 None
 0.63A 3hrdA-5uveA:
undetectable
3hrdB-5uveA:
undetectable		 3hrdA-5uveA:
22.97
3hrdB-5uveA:
23.85
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.
5x8o INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Trypanosoma
brucei) 		no annotation 4 ILE A 105
ALA A 114
ARG A 115
ALA A 153
 None
 0.91A 3hrdA-5x8oA:
undetectable
3hrdB-5x8oA:
undetectable		 3hrdA-5x8oA:
10.84
3hrdB-5x8oA:
12.35
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.
5xtd NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
9, MITOCHONDRIAL

(Homo sapiens) 		PF01370
(Epimerase) 		4 ILE J 200
ALA J 198
PHE J 164
ALA J 153
 None
 0.93A 3hrdA-5xtdJ:
undetectable
3hrdB-5xtdJ:
undetectable		 3hrdA-5xtdJ:
20.55
3hrdB-5xtdJ:
21.58
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.
5y51 -

(-) 		no annotation 4 ILE A 192
ALA A  96
LEU A  74
ALA A 248
 None
 0.93A 3hrdA-5y51A:
undetectable
3hrdB-5y51A:
undetectable		 3hrdA-5y51A:
undetectable
3hrdB-5y51A:
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.
6bpc MONOCLONAL ANTIBODY
4F7 FAB LIGHT CHAIN

(Mus musculus) 		no annotation 4 ILE C  26
ALA C  49
PHE C  95
ASN C  52
 None
 0.94A 3hrdA-6bpcC:
undetectable
3hrdB-6bpcC:
undetectable		 3hrdA-6bpcC:
12.09
3hrdB-6bpcC:
11.52
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.
6ejj WLAC PROTEIN

(Campylobacter
jejuni) 		no annotation 4 ILE A  36
ARG A  19
ASN A  26
THR A  23
 None
 0.91A 3hrdA-6ejjA:
undetectable
3hrdB-6ejjA:
undetectable		 3hrdA-6ejjA:
10.82
3hrdB-6ejjA:
11.08
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.
6fd2 PUTATIVE APRAMYCIN
BIOSYNTHETIC
OXIDOREDUCTASE 4

(Streptoalloteichus
tenebrarius) 		no annotation 4 ILE B 357
ALA B 424
ARG B 426
LEU B 376
 None
 0.94A 3hrdA-6fd2B:
undetectable
3hrdB-6fd2B:
undetectable		 3hrdA-6fd2B:
10.35
3hrdB-6fd2B:
14.29
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.
6gu8 -

(-) 		no annotation 4 ILE A 264
ALA A 286
LEU A 338
ALA A 341
 None
 0.95A 3hrdA-6gu8A:
undetectable
3hrdB-6gu8A:
1.5		 3hrdA-6gu8A:
undetectable
3hrdB-6gu8A:
undetectable