SIMILAR PATTERNS OF AMINO ACIDS FOR 3BWC_B_SAMB501_0

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.
1e5m BETA KETOACYL ACYL
CARRIER PROTEIN
SYNTHASE II

(Synechocystis
sp. PCC 6803) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ILE A  20
GLY A  21
ASP A  59
GLY A  37
GLN A  29
 None
 0.93A 3bwcB-1e5mA:
undetectable		 3bwcB-1e5mA:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fw8 PHOSPHOGLYCERATE
KINASE

(Saccharomyces
cerevisiae) 		PF00162
(PGK) 		5 LEU A 249
GLY A 163
ILE A 137
VAL A 207
GLY A 264
 None
 0.92A 3bwcB-1fw8A:
3.2		 3bwcB-1fw8A:
20.66
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.
1gco GLUCOSE
DEHYDROGENASE

(Bacillus
megaterium) 		PF13561
(adh_short_C2) 		5 TYR A 158
ILE A 191
GLY A 189
ILE A 213
GLY A 219
 NAD  A 601 (-4.5A)
NAD  A 601 (-4.2A)
NAD  A 601 (-4.8A)
None
None
 1.01A 3bwcB-1gcoA:
5.4		 3bwcB-1gcoA:
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.
1geu GLUTATHIONE
REDUCTASE

(Escherichia
coli) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 HIS A 226
ILE A 261
GLY A 174
ILE A 178
GLY A 262
 None
NAD  A 452 (-3.9A)
NAD  A 452 (-3.2A)
NAD  A 452 (-3.3A)
NAD  A 452 (-3.3A)
 0.95A 3bwcB-1geuA:
2.9		 3bwcB-1geuA:
23.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1inl SPERMIDINE SYNTHASE

(Thermotoga
maritima) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		10 LEU A  62
TYR A  76
HIS A  77
ILE A  97
GLY A  98
ASP A 101
ASP A 123
VAL A 126
GLY A 153
ASP A 170
 None
 0.48A 3bwcB-1inlA:
36.4		 3bwcB-1inlA:
36.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1iy9 SPERMIDINE SYNTHASE

(Bacillus
subtilis) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		7 LEU A  48
TYR A  62
GLY A  84
ASP A 109
VAL A 112
ASP A 156
GLN A 189
 None
 1.45A 3bwcB-1iy9A:
36.3		 3bwcB-1iy9A:
40.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1iy9 SPERMIDINE SYNTHASE

(Bacillus
subtilis) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		9 LEU A  48
TYR A  62
HIS A  63
GLY A  84
ASP A  87
ASP A 109
VAL A 112
GLY A 139
GLN A 189
 None
 0.64A 3bwcB-1iy9A:
36.3		 3bwcB-1iy9A:
40.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1iy9 SPERMIDINE SYNTHASE

(Bacillus
subtilis) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		9 LEU A  48
TYR A  62
HIS A  63
GLY A  84
ASP A  87
ILE A 108
ASP A 109
VAL A 112
GLY A 139
 None
 0.47A 3bwcB-1iy9A:
36.3		 3bwcB-1iy9A:
40.75
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.
1l8k T-CELL
PROTEIN-TYROSINE
PHOSPHATASE

(Homo sapiens) 		PF00102
(Y_phosphatase) 		5 LEU A 249
ILE A 220
GLY A 257
ILE A 259
GLY A 221
 None
 0.93A 3bwcB-1l8kA:
undetectable		 3bwcB-1l8kA:
21.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mjf SPERMIDINE SYNTHASE

(Pyrococcus
furiosus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		6 LEU A  46
TYR A  60
GLY A  83
ASP A 106
VAL A 109
ASP A 158
 None
 1.12A 3bwcB-1mjfA:
32.7		 3bwcB-1mjfA:
34.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mjf SPERMIDINE SYNTHASE

(Pyrococcus
furiosus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		6 LEU A  46
TYR A  60
GLY A  83
ASP A 106
VAL A 109
GLN A 191
 None
 1.24A 3bwcB-1mjfA:
32.7		 3bwcB-1mjfA:
34.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mjf SPERMIDINE SYNTHASE

(Pyrococcus
furiosus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		11 LEU A  46
TYR A  60
HIS A  61
ILE A  81
GLY A  82
ASP A  85
ILE A 105
ASP A 106
VAL A 109
GLY A 142
ASP A 158
 None
 0.35A 3bwcB-1mjfA:
32.7		 3bwcB-1mjfA:
34.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mjf SPERMIDINE SYNTHASE

(Pyrococcus
furiosus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		11 LEU A  46
TYR A  60
HIS A  61
ILE A  81
GLY A  82
ASP A  85
ILE A 105
ASP A 106
VAL A 109
GLY A 142
GLN A 191
 None
 0.53A 3bwcB-1mjfA:
32.7		 3bwcB-1mjfA:
34.07
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.
1n0w DNA REPAIR PROTEIN
RAD51 HOMOLOG 1

(Homo sapiens) 		PF08423
(Rad51) 		5 LEU A 171
TYR A 178
ILE A 117
ILE A 220
VAL A 189
 None
 1.01A 3bwcB-1n0wA:
3.4		 3bwcB-1n0wA:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pvj PYROGENIC EXOTOXIN B

(Streptococcus
pyogenes) 		PF01640
(Peptidase_C10)
PF13734
(Inhibitor_I69) 		5 HIS A 159
GLY A 365
ASP A 154
GLY A 102
ASP A 364
 None
 0.80A 3bwcB-1pvjA:
undetectable		 3bwcB-1pvjA:
19.49
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.
1pz1 GENERAL STRESS
PROTEIN 69

(Bacillus
subtilis) 		PF00248
(Aldo_ket_red) 		5 ILE A  16
ASP A 270
ILE A 276
ASP A 275
GLY A  17
 None
 0.94A 3bwcB-1pz1A:
undetectable		 3bwcB-1pz1A:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qh1 PROTEIN (NITROGENASE
MOLYBDENUM IRON
PROTEIN)

(Klebsiella
pneumoniae) 		PF00148
(Oxidored_nitro)
PF11844
(DUF3364) 		5 HIS B 191
GLY B 466
ASP B 368
ILE B 439
VAL B 372
 None
 0.97A 3bwcB-1qh1B:
3.2		 3bwcB-1qh1B:
20.08
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.
1qpg 3-PHOSPHOGLYCERATE
KINASE

(Saccharomyces
cerevisiae) 		PF00162
(PGK) 		5 LEU A 320
GLY A 234
ILE A 208
VAL A 278
GLY A 335
 None
None
None
None
MAP  A 450 (-3.7A)
 0.99A 3bwcB-1qpgA:
3.4		 3bwcB-1qpgA:
22.41
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.
1vkn N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE
REDUCTASE

(Thermotoga
maritima) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 LEU A 152
GLY A 311
ILE A 237
VAL A 286
GLY A 178
 None
 1.02A 3bwcB-1vknA:
3.2		 3bwcB-1vknA:
21.20
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.
1wuu GALACTOKINASE

(Homo sapiens) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		5 LEU A 210
GLY A 386
ILE A 189
GLY A  36
ASP A 385
 None
 0.98A 3bwcB-1wuuA:
undetectable		 3bwcB-1wuuA:
23.51
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.
1wwy THIOREDOXIN-LIKE
PROTEIN 1

(Homo sapiens) 		PF06201
(PITH) 		5 ILE A 146
ILE A 111
ASP A 110
VAL A 117
GLY A  70
 None
 1.02A 3bwcB-1wwyA:
undetectable		 3bwcB-1wwyA:
20.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xj5 SPERMIDINE SYNTHASE
1

(Arabidopsis
thaliana) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		6 ILE A 127
GLY A 128
ILE A 152
VAL A 157
GLY A 183
ASP A 201
 None
 1.22A 3bwcB-1xj5A:
38.2		 3bwcB-1xj5A:
40.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xj5 SPERMIDINE SYNTHASE
1

(Arabidopsis
thaliana) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		6 LEU A  92
TYR A 106
GLY A 129
ASP A 153
VAL A 156
ASP A 201
 None
 1.02A 3bwcB-1xj5A:
38.2		 3bwcB-1xj5A:
40.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xj5 SPERMIDINE SYNTHASE
1

(Arabidopsis
thaliana) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		10 LEU A  92
TYR A 106
ILE A 127
GLY A 128
ASP A 131
ILE A 152
ASP A 153
VAL A 156
GLY A 183
ASP A 201
 None
 0.46A 3bwcB-1xj5A:
38.2		 3bwcB-1xj5A:
40.18
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.
1yf2 TYPE I
RESTRICTION-MODIFICA
TION ENZYME, S
SUBUNIT

(Methanocaldococcus
jannaschii) 		PF01420
(Methylase_S) 		5 LEU A 134
ILE A  56
ILE A  99
VAL A 158
GLY A  97
 None
 1.01A 3bwcB-1yf2A:
undetectable		 3bwcB-1yf2A:
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.
2aaa ALPHA-AMYLASE

(Aspergillus
niger) 		PF00128
(Alpha-amylase)
PF09260
(DUF1966) 		6 LEU A 250
TYR A  82
ILE A  62
ILE A  11
VAL A 228
ASP A 117
 None
 1.38A 3bwcB-2aaaA:
undetectable		 3bwcB-2aaaA:
20.85
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.
2afh NITROGENASE
MOLYBDENUM-IRON
PROTEIN

(Azotobacter
vinelandii) 		PF00148
(Oxidored_nitro)
PF11844
(DUF3364) 		5 HIS B 193
GLY B 470
ASP B 372
ILE B 443
VAL B 376
 None
 0.97A 3bwcB-2afhB:
3.4		 3bwcB-2afhB:
18.49
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.
2afh NITROGENASE
MOLYBDENUM-IRON
PROTEIN

(Azotobacter
vinelandii) 		PF00148
(Oxidored_nitro)
PF11844
(DUF3364) 		5 HIS B 193
ILE B 473
GLY B 470
ASP B 372
VAL B 376
 None
 0.93A 3bwcB-2afhB:
3.4		 3bwcB-2afhB:
18.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2b2c SPERMIDINE SYNTHASE

(Caenorhabditis
elegans) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		8 LEU A  80
ILE A 115
GLY A 116
ASP A 119
ASP A 141
VAL A 144
ASP A 188
GLN A 221
 None
 0.80A 3bwcB-2b2cA:
37.1		 3bwcB-2b2cA:
42.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2b2c SPERMIDINE SYNTHASE

(Caenorhabditis
elegans) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		8 LEU A  80
ILE A 115
GLY A 116
ASP A 119
ILE A 140
ASP A 141
VAL A 144
ASP A 188
 None
 0.59A 3bwcB-2b2cA:
37.1		 3bwcB-2b2cA:
42.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2b2c SPERMIDINE SYNTHASE

(Caenorhabditis
elegans) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		7 LEU A  80
TYR A  94
GLY A 117
ASP A 141
VAL A 144
ASP A 188
GLN A 221
 None
 1.39A 3bwcB-2b2cA:
37.1		 3bwcB-2b2cA:
42.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2b2c SPERMIDINE SYNTHASE

(Caenorhabditis
elegans) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		8 LEU A  80
TYR A  94
ILE A 115
GLY A 116
ASP A 141
VAL A 144
ASP A 188
GLN A 221
 None
 0.88A 3bwcB-2b2cA:
37.1		 3bwcB-2b2cA:
42.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2b2c SPERMIDINE SYNTHASE

(Caenorhabditis
elegans) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		8 LEU A  80
TYR A  94
ILE A 115
GLY A 116
ILE A 140
ASP A 141
VAL A 144
ASP A 188
 None
 0.87A 3bwcB-2b2cA:
37.1		 3bwcB-2b2cA:
42.41
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.
2gwr DNA-BINDING RESPONSE
REGULATOR MTRA

(Mycobacterium
tuberculosis) 		PF00072
(Response_reg)
PF00486
(Trans_reg_C) 		5 ILE A  65
GLY A  64
ILE A  79
VAL A  11
GLY A  94
 None
 1.00A 3bwcB-2gwrA:
3.0		 3bwcB-2gwrA:
23.57
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.
2iue INTEGRIN BETA-2-LIKE
PROTEIN

(Mus musculus) 		PF00362
(Integrin_beta) 		5 LEU A 194
ILE A  48
GLY A  11
ASP A 113
GLY A  84
 None
 0.97A 3bwcB-2iueA:
undetectable		 3bwcB-2iueA:
18.81
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.
2jh9 VP4 CORE PROTEIN

(Bluetongue
virus) 		PF05059
(Orbi_VP4) 		5 TYR A 185
ILE A 305
ILE A 196
VAL A 193
GLY A 289
 None
 0.99A 3bwcB-2jh9A:
7.7		 3bwcB-2jh9A:
18.79
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.
2kue SERINE/THREONINE-PRO
TEIN KINASE PKNB

(Mycobacterium
tuberculosis) 		PF03793
(PASTA) 		5 LEU A 444
ILE A 468
GLY A 469
VAL A 484
GLY A 489
 None
 0.95A 3bwcB-2kueA:
undetectable		 3bwcB-2kueA:
19.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2pt6 SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		9 LEU A  88
TYR A 102
HIS A 103
GLY A 124
ASP A 127
ILE A 148
ASP A 149
VAL A 152
ASP A 196
 None
S4M  A 501 (-4.9A)
S4M  A 501 (-3.7A)
S4M  A 501 (-3.4A)
S4M  A 501 (-2.9A)
S4M  A 501 (-3.9A)
None
S4M  A 501 ( 4.2A)
S4M  A 501 (-2.6A)
 0.37A 3bwcB-2pt6A:
29.5		 3bwcB-2pt6A:
38.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2pt6 SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		7 TYR A 102
HIS A 103
GLY A 124
ASP A 127
ILE A 148
VAL A 152
GLN A 229
 S4M  A 501 (-4.9A)
S4M  A 501 (-3.7A)
S4M  A 501 (-3.4A)
S4M  A 501 (-2.9A)
S4M  A 501 (-3.9A)
S4M  A 501 ( 4.2A)
None
 0.71A 3bwcB-2pt6A:
29.5		 3bwcB-2pt6A:
38.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2uzz N-METHYL-L-TRYPTOPHA
N OXIDASE

(Escherichia
coli) 		PF01266
(DAO) 		5 HIS A  38
GLY A  14
ASP A  32
ILE A 197
GLY A 347
 FAD  A1373 (-4.0A)
None
FAD  A1373 (-2.6A)
None
None
 0.87A 3bwcB-2uzzA:
3.2		 3bwcB-2uzzA:
24.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w01 ADENYLATE CYCLASE

(Synechocystis
sp. PCC 6803) 		PF00211
(Guanylate_cyc) 		6 LEU A 509
ILE A 541
GLY A 515
ILE A 585
VAL A 622
GLY A 542
 None
 1.42A 3bwcB-2w01A:
undetectable		 3bwcB-2w01A:
20.75
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.
2we9 MOBA-RELATED PROTEIN

(Mycobacterium
tuberculosis) 		PF12804
(NTP_transf_3) 		5 LEU A 191
ASP A 105
VAL A  33
GLY A  20
ASP A 183
 None
GOL  A1196 (-3.4A)
None
None
None
 1.02A 3bwcB-2we9A:
2.6		 3bwcB-2we9A:
23.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2zsu SPERMIDINE SYNTHASE

(Pyrococcus
horikoshii) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		10 TYR A  62
HIS A  63
ILE A  83
GLY A  84
ASP A  87
ILE A 108
ASP A 109
VAL A 112
GLY A 145
ASP A 161
 AG3  A1001 (-4.5A)
AG3  A1001 (-4.0A)
None
None
AG3  A1001 (-3.0A)
None
None
None
None
AG3  A1001 (-2.8A)
 0.39A 3bwcB-2zsuA:
32.6		 3bwcB-2zsuA:
32.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2zsu SPERMIDINE SYNTHASE

(Pyrococcus
horikoshii) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		10 TYR A  62
HIS A  63
ILE A  83
GLY A  84
ILE A 108
ASP A 109
VAL A 112
GLY A 145
ASP A 161
GLN A 194
 AG3  A1001 (-4.5A)
AG3  A1001 (-4.0A)
None
None
None
None
None
None
AG3  A1001 (-2.8A)
AG3  A1001 ( 4.1A)
 0.61A 3bwcB-2zsuA:
32.6		 3bwcB-2zsuA:
32.80
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.
3a5k TYROSINE-PROTEIN
PHOSPHATASE
NON-RECEPTOR TYPE 1

(Homo sapiens) 		PF00102
(Y_phosphatase) 		5 LEU A 251
ILE A 219
GLY A 259
ILE A 261
GLY A 220
 None
 0.99A 3bwcB-3a5kA:
undetectable		 3bwcB-3a5kA:
23.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3anx SPERMIDINE SYNTHASE

(Thermus
thermophilus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		7 LEU A  49
TYR A  63
HIS A  64
GLY A  85
ILE A 109
ASP A 110
ASP A 158
 MTA  A 315 ( 4.4A)
None
None
MTA  A 315 (-3.2A)
MTA  A 315 (-3.7A)
None
MTA  A 315 (-4.9A)
 0.50A 3bwcB-3anxA:
32.0		 3bwcB-3anxA:
34.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3anx SPERMIDINE SYNTHASE

(Thermus
thermophilus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 LEU A  49
TYR A  63
HIS A  64
ILE A 157
ASP A 158
 MTA  A 315 ( 4.4A)
None
None
None
MTA  A 315 (-4.9A)
 0.94A 3bwcB-3anxA:
32.0		 3bwcB-3anxA:
34.03
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.
3c6m SPERMINE SYNTHASE

(Homo sapiens) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		8 LEU A 164
TYR A 177
GLY A 198
ASP A 201
ILE A 221
ASP A 222
VAL A 225
ASP A 276
 None
SPM  A 501 (-4.2A)
MTA  A 401 (-3.3A)
SPM  A 501 ( 3.8A)
MTA  A 401 (-3.8A)
None
MTA  A 401 (-4.2A)
SPM  A 501 ( 3.2A)
 0.46A 3bwcB-3c6mA:
23.6		 3bwcB-3c6mA:
24.40
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.
3c6m SPERMINE SYNTHASE

(Homo sapiens) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		6 LEU A 164
TYR A 177
GLY A 199
ASP A 222
VAL A 225
ASP A 276
 None
SPM  A 501 (-4.2A)
MTA  A 401 (-3.9A)
None
MTA  A 401 (-4.2A)
SPM  A 501 ( 3.2A)
 1.05A 3bwcB-3c6mA:
23.6		 3bwcB-3c6mA:
24.40
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.
3c6m SPERMINE SYNTHASE

(Homo sapiens) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		6 TYR A 177
GLY A 198
ASP A 201
ILE A 282
VAL A 225
ASP A 276
 SPM  A 501 (-4.2A)
MTA  A 401 (-3.3A)
SPM  A 501 ( 3.8A)
MTA  A 401 (-3.6A)
MTA  A 401 (-4.2A)
SPM  A 501 ( 3.2A)
 1.15A 3bwcB-3c6mA:
23.6		 3bwcB-3c6mA:
24.40
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.
3ezl ACETOACETYL-COA
REDUCTASE

(Burkholderia
pseudomallei) 		PF00106
(adh_short) 		5 TYR A 155
ILE A 188
GLY A 186
ILE A 208
GLY A 214
 None
 1.03A 3bwcB-3ezlA:
4.9		 3bwcB-3ezlA:
25.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iir TRYPSIN INHIBITOR

(Murraya
koenigii) 		PF00197
(Kunitz_legume) 		5 GLY A 133
ILE A   6
VAL A  22
GLY A   8
ASP A 131
 None
 0.94A 3bwcB-3iirA:
undetectable		 3bwcB-3iirA:
23.11
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.
3kxw SAFRAMYCIN MX1
SYNTHETASE B

(Legionella
pneumophila) 		PF00501
(AMP-binding) 		5 LEU A 191
ILE A 233
GLY A 231
ILE A 229
VAL A  14
 None
 1.02A 3bwcB-3kxwA:
undetectable		 3bwcB-3kxwA:
19.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mst PUTATIVE NITRATE
TRANSPORT PROTEIN

(Thermoplasma
volcanium) 		PF12916
(DUF3834) 		5 LEU A  81
TYR A 193
ILE A 121
GLY A 118
GLY A 102
 UNL  A 226 ( 4.8A)
None
None
ACT  A 232 ( 3.8A)
EDO  A 236 (-3.7A)
 0.94A 3bwcB-3mstA:
undetectable		 3bwcB-3mstA:
24.21
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.
3ndn O-SUCCINYLHOMOSERINE
SULFHYDRYLASE

(Mycobacterium
tuberculosis) 		PF01053
(Cys_Met_Meta_PP) 		5 LEU A 108
GLY A 234
ILE A 232
VAL A 192
ASP A 235
 None
 0.92A 3bwcB-3ndnA:
5.1		 3bwcB-3ndnA:
23.43
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.
3nhz TWO COMPONENT SYSTEM
TRANSCRIPTIONAL
REGULATOR MTRA

(Mycobacterium
tuberculosis) 		PF00072
(Response_reg) 		5 ILE A  65
GLY A  64
ILE A  79
VAL A  11
GLY A  94
 None
 0.98A 3bwcB-3nhzA:
3.0		 3bwcB-3nhzA:
18.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3o4f SPERMIDINE SYNTHASE

(Escherichia
coli) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		7 TYR A  63
HIS A  64
ILE A  84
GLY A  85
ASP A  88
ILE A 109
GLY A 141
 None
 0.59A 3bwcB-3o4fA:
31.4		 3bwcB-3o4fA:
40.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3o4f SPERMIDINE SYNTHASE

(Escherichia
coli) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		7 TYR A  63
HIS A  64
ILE A  84
GLY A  85
ASP A  88
VAL A 113
GLY A 141
 None
 0.81A 3bwcB-3o4fA:
31.4		 3bwcB-3o4fA:
40.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3o4f SPERMIDINE SYNTHASE

(Escherichia
coli) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 TYR A  63
HIS A  64
ILE A  84
GLY A  85
GLN A 191
 None
 0.96A 3bwcB-3o4fA:
31.4		 3bwcB-3o4fA:
40.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3o4f SPERMIDINE SYNTHASE

(Escherichia
coli) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		7 TYR A  63
ILE A  84
GLY A  85
ASP A  88
VAL A 113
GLY A 141
ASP A 158
 None
 1.25A 3bwcB-3o4fA:
31.4		 3bwcB-3o4fA:
40.45
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.
3oy2 GLYCOSYLTRANSFERASE
B736L

(Paramecium
bursaria
Chlorella virus
NY2A) 		no annotation 5 LEU A   3
HIS A  46
ILE A  38
GLY A   7
ILE A  87
 None
 1.03A 3bwcB-3oy2A:
2.8		 3bwcB-3oy2A:
22.40
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.
3r64 NAD DEPENDENT
BENZALDEHYDE
DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF00171
(Aldedh) 		5 ILE A 219
GLY A 220
VAL A 240
GLY A 214
ASP A 221
 ILE  A 219 ( 0.4A)
GLY  A 220 ( 0.0A)
VAL  A 240 ( 0.6A)
GLY  A 214 ( 0.0A)
ASP  A 221 ( 0.6A)
 1.03A 3bwcB-3r64A:
2.5		 3bwcB-3r64A:
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.
3r75 ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I

(Burkholderia
lata) 		PF00117
(GATase)
PF00425
(Chorismate_bind) 		5 HIS A 455
GLY A 493
ASP A 451
ILE A 505
VAL A 476
 None
CYG  A 526 ( 3.9A)
None
None
None
 1.00A 3bwcB-3r75A:
undetectable		 3bwcB-3r75A:
18.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3rw9 SPERMIDINE SYNTHASE

(Homo sapiens) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		7 LEU A  65
TYR A  79
ASP A 104
VAL A 129
GLY A 156
ASP A 173
GLN A 206
 None
DSH  A 303 ( 4.9A)
DSH  A 303 (-3.3A)
DSH  A 303 (-4.5A)
DSH  A 303 (-3.7A)
DSH  A 303 (-3.0A)
None
 0.73A 3bwcB-3rw9A:
39.1		 3bwcB-3rw9A:
42.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3rw9 SPERMIDINE SYNTHASE

(Homo sapiens) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		6 LEU A  65
TYR A  79
GLY A 102
ASP A 126
VAL A 129
ASP A 173
 None
DSH  A 303 ( 4.9A)
DSH  A 303 ( 4.7A)
None
DSH  A 303 (-4.5A)
DSH  A 303 (-3.0A)
 1.14A 3bwcB-3rw9A:
39.1		 3bwcB-3rw9A:
42.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3rw9 SPERMIDINE SYNTHASE

(Homo sapiens) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		10 LEU A  65
TYR A  79
ILE A 100
GLY A 101
ASP A 104
ILE A 125
ASP A 126
VAL A 129
GLY A 156
ASP A 173
 None
DSH  A 303 ( 4.9A)
None
DSH  A 303 (-3.4A)
DSH  A 303 (-3.3A)
DSH  A 303 (-3.8A)
None
DSH  A 303 (-4.5A)
DSH  A 303 (-3.7A)
DSH  A 303 (-3.0A)
 0.45A 3bwcB-3rw9A:
39.1		 3bwcB-3rw9A:
42.86
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.
3w1s AUTOPHAGY PROTEIN 5

(Saccharomyces
cerevisiae) 		PF04106
(APG5) 		5 ILE A 279
ASP A 274
ILE A 200
VAL A 151
GLN A 253
 None
 0.99A 3bwcB-3w1sA:
undetectable		 3bwcB-3w1sA:
20.87
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.
4az7 BETA-N-ACETYLHEXOSAM
INIDASE

(Streptococcus
pneumoniae) 		PF00728
(Glyco_hydro_20) 		5 GLY A 227
ASP A 193
ASP A 263
GLY A 256
ASP A 226
 None
 0.89A 3bwcB-4az7A:
undetectable		 3bwcB-4az7A:
21.68
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.
4azc BETA-N-ACETYLHEXOSAM
INIDASE

(Streptococcus
pneumoniae) 		PF00728
(Glyco_hydro_20) 		5 GLY A 672
ASP A 638
ASP A 708
GLY A 701
ASP A 671
 None
 0.94A 3bwcB-4azcA:
undetectable		 3bwcB-4azcA:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cmn INOSITOL
POLYPHOSPHATE
5-PHOSPHATASE OCRL-1

(Homo sapiens) 		PF03372
(Exo_endo_phos) 		5 LEU A 453
GLY A 421
ILE A 501
GLY A 245
ASP A 422
 None
None
None
None
PO4  A1560 ( 4.9A)
 1.02A 3bwcB-4cmnA:
undetectable		 3bwcB-4cmnA:
23.01
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.
4dg5 PHOSPHOGLYCERATE
KINASE

(Staphylococcus
aureus) 		PF00162
(PGK) 		5 LEU A 304
GLY A 223
ILE A 197
VAL A 263
GLY A 319
 None
 0.91A 3bwcB-4dg5A:
3.1		 3bwcB-4dg5A:
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.
4dxb MALTOSE-BINDING
PERIPLASMIC PROTEIN,
BETA-LACTAMASE TEM
CHIMERA

(Escherichia
coli) 		PF01547
(SBP_bac_1)
PF13354
(Beta-lactamase2) 		5 GLY A 187
ASP A 471
GLY A 182
ASP A 164
GLN A 253
 None
None
None
ZN  A 701 (-2.3A)
ZN  A 701 ( 4.0A)
 1.00A 3bwcB-4dxbA:
undetectable		 3bwcB-4dxbA:
17.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fuu LEUCINE
AMINOPEPTIDASE

(Bacteroides
thetaiotaomicron) 		PF04389
(Peptidase_M28) 		5 HIS A 302
GLY A 150
ASP A 182
GLY A 155
ASP A 149
 ZN  A 403 (-3.1A)
None
ZN  A 403 (-2.1A)
None
ZN  A 403 (-2.3A)
 0.90A 3bwcB-4fuuA:
undetectable		 3bwcB-4fuuA:
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.
4g8t GLUCARATE
DEHYDRATASE

(Actinobacillus
succinogenes) 		PF13378
(MR_MLE_C) 		5 ILE A 358
ILE A 305
ASP A 304
GLY A 333
ASP A 357
 None
None
GOL  A 503 (-3.1A)
None
None
 1.02A 3bwcB-4g8tA:
undetectable		 3bwcB-4g8tA:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gs1 DYP-TYPE PEROXIDASE

(Thermobifida
cellulosilytica) 		PF04261
(Dyp_perox) 		5 LEU A 201
ILE A 144
GLY A 143
VAL A 140
GLY A 422
 None
 0.99A 3bwcB-4gs1A:
undetectable		 3bwcB-4gs1A:
21.17
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.
4o89 RNA 3'-TERMINAL
PHOSPHATE CYCLASE

(Pyrococcus
horikoshii) 		PF01137
(RTC)
PF05189
(RTC_insert) 		5 LEU A 132
HIS A 193
ILE A 163
ASP A 122
ILE A 117
 None
 0.96A 3bwcB-4o89A:
undetectable		 3bwcB-4o89A:
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.
4oqq DEOXYRIBONUCLEOSIDE
REGULATOR

(Bacillus
subtilis) 		PF04198
(Sugar-bind) 		5 GLY A 113
ILE A 111
ASP A 110
VAL A 106
GLY A 199
 None
 1.00A 3bwcB-4oqqA:
2.9		 3bwcB-4oqqA:
20.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uoe SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		6 LEU A  88
TYR A 102
GLY A 125
ASP A 149
VAL A 152
ASP A 196
 None
4ZY  A 501 (-4.3A)
MTA  A 401 (-3.8A)
None
MTA  A 401 (-4.3A)
4ZY  A 501 ( 3.6A)
 1.20A 3bwcB-4uoeA:
29.1		 3bwcB-4uoeA:
40.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uoe SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		9 LEU A  88
TYR A 102
HIS A 103
GLY A 124
ASP A 127
ILE A 148
ASP A 149
VAL A 152
ASP A 196
 None
4ZY  A 501 (-4.3A)
None
MTA  A 401 (-3.5A)
MTA  A 401 (-4.3A)
MTA  A 401 (-3.8A)
None
MTA  A 401 (-4.3A)
4ZY  A 501 ( 3.6A)
 0.42A 3bwcB-4uoeA:
29.1		 3bwcB-4uoeA:
40.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4yv2 SPERMIDINE SYNTHASE,
PUTATIVE

(Trypanosoma
cruzi) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		6 LEU A  59
GLY A  96
ASP A 120
VAL A 123
ASP A 168
GLN A 201
 None
S4M  A 301 ( 4.6A)
None
S4M  A 301 (-4.3A)
S4M  A 301 (-3.1A)
None
 1.17A 3bwcB-4yv2A:
45.6		 3bwcB-4yv2A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4yv2 SPERMIDINE SYNTHASE,
PUTATIVE

(Trypanosoma
cruzi) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 LEU A  59
HIS A  74
ILE A 167
ASP A  98
ASP A 168
 None
S4M  A 301 (-4.0A)
None
S4M  A 301 (-3.1A)
S4M  A 301 (-3.1A)
 0.94A 3bwcB-4yv2A:
45.6		 3bwcB-4yv2A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4yv2 SPERMIDINE SYNTHASE,
PUTATIVE

(Trypanosoma
cruzi) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		12 LEU A  59
TYR A  73
HIS A  74
ILE A  94
GLY A  95
ASP A  98
ILE A 119
ASP A 120
VAL A 123
GLY A 150
ASP A 168
GLN A 201
 None
S4M  A 301 (-4.4A)
S4M  A 301 (-4.0A)
None
S4M  A 301 (-3.5A)
S4M  A 301 (-3.1A)
S4M  A 301 (-3.9A)
None
S4M  A 301 (-4.3A)
S4M  A 301 (-3.6A)
S4M  A 301 (-3.1A)
None
 0.45A 3bwcB-4yv2A:
45.6		 3bwcB-4yv2A:
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.
4zo6 LIN1840 PROTEIN

(Listeria
innocua) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		6 ILE A 419
GLY A 418
ILE A 405
ASP A 404
GLY A 533
ASP A 417
 None
 1.25A 3bwcB-4zo6A:
undetectable		 3bwcB-4zo6A:
18.46
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.
5aga DNA POLYMERASE THETA

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 LEU A 394
GLY A 430
ASP A 426
ILE A 437
GLY A 435
 None
 0.95A 3bwcB-5agaA:
3.7		 3bwcB-5agaA:
16.02
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.
5ecf CELL WALL ANTIGEN

(Talaromyces
marneffei) 		PF12296
(HsbA) 		5 LEU A  90
HIS A  39
GLY A  44
VAL A 106
ASP A  43
 None
 0.92A 3bwcB-5ecfA:
undetectable		 3bwcB-5ecfA:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ee2 HEMOGLOBIN-HAPTOGLOB
IN-UTILIZATION
PROTEIN

(Neisseria
gonorrhoeae) 		PF16960
(HpuA) 		5 ILE A 252
GLY A 254
ASP A 257
GLY A 205
ASP A 261
 None
 0.99A 3bwcB-5ee2A:
undetectable		 3bwcB-5ee2A:
19.93
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.
5fb7 ENVELOPE
GLYCOPROTEIN

(Talaromyces
marneffei) 		PF12296
(HsbA) 		5 LEU A  90
HIS A  39
GLY A  44
VAL A 106
ASP A  43
 ACD  A 201 ( 4.5A)
None
ACD  A 201 ( 3.8A)
ACD  A 201 ( 4.2A)
None
 0.96A 3bwcB-5fb7A:
undetectable		 3bwcB-5fb7A:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fbz ENZYME SUBTILASE
SUBHAL FROM BACILLUS
HALMAPALUS

(Bacillus
halmapalus) 		PF00082
(Peptidase_S8)
PF04151
(PPC) 		5 LEU A 348
ASP A 368
VAL A 415
GLY A 423
ASP A 366
 None
CA  A 602 (-3.3A)
None
None
CA  A 602 (-3.1A)
 0.88A 3bwcB-5fbzA:
undetectable		 3bwcB-5fbzA:
19.73
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.
5fkr ENDO-1,4-BETA-GLUCAN
ASE/XYLOGLUCANASE,
PUTATIVE, GLY74A

(Cellvibrio
japonicus) 		no annotation 5 LEU A 759
GLY A 742
ILE A 740
VAL A 468
ASP A 743
 None
 0.94A 3bwcB-5fkrA:
undetectable		 3bwcB-5fkrA:
16.35
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.
5hnz PROTEIN CLARET
SEGREGATIONAL,PROTEI
N CLARET
SEGREGATIONAL,PLUS-E
ND DIRECTED
KINESIN-1/KINESIN-14
,PROTEIN CLARET
SEGREGATIONAL,PROTEI
N CLARET
SEGREGATIONAL

(Drosophila
melanogaster;
Rattus
norvegicus) 		PF00225
(Kinesin) 		5 HIS K 216
ILE K 316
ASP K 247
GLY K 335
GLN K 102
 None
 0.94A 3bwcB-5hnzK:
undetectable		 3bwcB-5hnzK:
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.
5izh RNA-DIRECTED RNA
POLYMERASE L

(Lassa
mammarenavirus) 		PF17296
(ArenaCapSnatch) 		5 LEU A 123
GLY A  90
ILE A  99
GLY A  59
ASP A  89
 None
 0.93A 3bwcB-5izhA:
undetectable		 3bwcB-5izhA:
22.59
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.
5ksd ATPASE 2, PLASMA
MEMBRANE-TYPE

(Arabidopsis
thaliana) 		PF00122
(E1-E2_ATPase)
PF00690
(Cation_ATPase_N)
PF00702
(Hydrolase) 		5 GLY A 589
ASP A 329
ASP A 607
GLY A 159
ASP A 592
 None
ACP  A 904 ( 4.7A)
None
None
None
 0.98A 3bwcB-5ksdA:
undetectable		 3bwcB-5ksdA:
18.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mzo UDP-GLUCOSE-GLYCOPRO
TEIN
GLUCOSYLTRANSFERASE-
LIKE PROTEIN

(Chaetomium
thermophilum) 		PF06427
(UDP-g_GGTase) 		5 LEU A  35
TYR A 962
ILE A1039
VAL A1004
GLY A1131
 None
 0.97A 3bwcB-5mzoA:
undetectable		 3bwcB-5mzoA:
11.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wcj METHYLTRANSFERASE-LI
KE PROTEIN 13

(Homo sapiens) 		PF01564
(Spermine_synth) 		6 HIS A 473
GLY A 501
ILE A 525
ASP A 526
GLY A 552
ASP A 575
 None
SAH  A 705 (-3.5A)
SAH  A 705 (-3.6A)
None
SAH  A 705 (-3.8A)
SAH  A 705 (-3.6A)
 1.49A 3bwcB-5wcjA:
16.7		 3bwcB-5wcjA:
24.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wcj METHYLTRANSFERASE-LI
KE PROTEIN 13

(Homo sapiens) 		PF01564
(Spermine_synth) 		6 HIS A 474
GLY A 501
ILE A 525
ASP A 526
GLY A 552
ASP A 575
 None
SAH  A 705 (-3.5A)
SAH  A 705 (-3.6A)
None
SAH  A 705 (-3.8A)
SAH  A 705 (-3.6A)
 0.75A 3bwcB-5wcjA:
16.7		 3bwcB-5wcjA:
24.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bq6 THERMOSPERMINE
SYNTHASE

(Medicago
truncatula) 		no annotation 6 LEU A  70
TYR A  84
GLY A 107
ASP A 131
VAL A 134
ASP A 178
 None
TER  A 402 (-4.6A)
CL  A 401 (-3.7A)
None
None
TER  A 402 (-4.1A)
 1.21A 3bwcB-6bq6A:
31.6		 3bwcB-6bq6A:
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.
6bq6 THERMOSPERMINE
SYNTHASE

(Medicago
truncatula) 		no annotation 8 LEU A  70
TYR A  84
HIS A  85
GLY A 106
ILE A 130
ASP A 131
VAL A 134
ASP A 178
 None
TER  A 402 (-4.6A)
None
TER  A 402 ( 4.1A)
None
None
None
TER  A 402 (-4.1A)
 0.71A 3bwcB-6bq6A:
31.6		 3bwcB-6bq6A:
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.
6bq6 THERMOSPERMINE
SYNTHASE

(Medicago
truncatula) 		no annotation 5 TYR A  84
HIS A  85
GLY A 106
ASP A 178
GLN A 214
 TER  A 402 (-4.6A)
None
TER  A 402 ( 4.1A)
TER  A 402 (-4.1A)
TER  A 402 ( 3.7A)
 0.67A 3bwcB-6bq6A:
31.6		 3bwcB-6bq6A:
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.
6fht BACTERIOPHYTOCHROME,
ADENYLATE CYCLASE

(Synechocystis
sp. PCC 6803;
Deinococcus
radiodurans) 		no annotation 6 LEU A 610
HIS A 582
GLY A 616
ILE A 686
VAL A 723
GLY A 643
 None
 1.25A 3bwcB-6fhtA:
undetectable		 3bwcB-6fhtA:
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.
6fht BACTERIOPHYTOCHROME,
ADENYLATE CYCLASE

(Synechocystis
sp. PCC 6803;
Deinococcus
radiodurans) 		no annotation 6 LEU A 610
ILE A 642
GLY A 616
ILE A 686
VAL A 723
GLY A 643
 None
 1.46A 3bwcB-6fhtA:
undetectable		 3bwcB-6fhtA:
undetectable