SIMILAR PATTERNS OF AMINO ACIDS FOR 2B25_A_SAMA601_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.
1aug PYROGLUTAMYL
PEPTIDASE-1

(Bacillus
amyloliquefaciens) 		PF01470
(Peptidase_C15) 		5 THR A  45
GLY A  70
ARG A  75
HIS A 168
ILE A 172
 None
 0.91A 2b25A-1augA:
undetectable		 2b25A-1augA:
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.
1b25 PROTEIN
(FORMALDEHYDE
FERREDOXIN
OXIDOREDUCTASE)

(Pyrococcus
furiosus) 		PF01314
(AFOR_C)
PF02730
(AFOR_N) 		5 GLY A 434
GLY A 410
GLY A  86
VAL A 413
HIS A 407
 None
 0.85A 2b25A-1b25A:
undetectable		 2b25A-1b25A:
19.84
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.
1dj2 ADENYLOSUCCINATE
SYNTHETASE

(Arabidopsis
thaliana) 		PF00709
(Adenylsucc_synt) 		5 GLY A 269
GLY A  90
GLY A  53
VAL A 223
ILE A 272
 None
 0.90A 2b25A-1dj2A:
2.3		 2b25A-1dj2A:
26.42
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.
1dj3 ADENYLOSUCCINATE
SYNTHETASE

(Triticum
aestivum) 		PF00709
(Adenylsucc_synt) 		5 GLY A 268
GLY A  89
GLY A  52
VAL A 222
ILE A 271
 None
 0.92A 2b25A-1dj3A:
2.2		 2b25A-1dj3A:
23.88
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.
1f8f BENZYL ALCOHOL
DEHYDROGENASE

(Acinetobacter
calcoaceticus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 169
GLY A 172
GLY A 174
VAL A  87
ILE A 165
 None
None
NAD  A 375 ( 4.7A)
None
None
 1.03A 2b25A-1f8fA:
7.3		 2b25A-1f8fA:
23.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g55 DNA CYTOSINE
METHYLTRANSFERASE
DNMT2

(Homo sapiens) 		PF00145
(DNA_methylase) 		5 GLY A  12
GLY A  15
MET A  16
VAL A  35
ILE A  57
 SAH  A 392 (-3.4A)
SAH  A 392 (-3.1A)
None
SAH  A 392 (-3.9A)
SAH  A 392 (-4.1A)
 0.73A 2b25A-1g55A:
8.6		 2b25A-1g55A:
22.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1i9g HYPOTHETICAL PROTEIN
RV2118C

(Mycobacterium
tuberculosis) 		PF08704
(GCD14)
PF14801
(GCD14_N) 		6 GLY A 107
GLY A 109
ARG A 133
HIS A 136
ASP A 161
MET A 179
 SAM  A 301 (-2.7A)
SAM  A 301 (-3.4A)
None
SAM  A 301 (-3.7A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.7A)
 0.60A 2b25A-1i9gA:
26.3		 2b25A-1i9gA:
31.23
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.
1ii2 PHOSPHOENOLPYRUVATE
CARBOXYKINASE

(Trypanosoma
cruzi) 		PF01293
(PEPCK_ATP) 		5 THR A 415
THR A 361
GLY A 224
GLY A 226
GLY A 221
 None
None
SO4  A   1 (-3.2A)
SO4  A   1 (-3.3A)
None
 0.99A 2b25A-1ii2A:
undetectable		 2b25A-1ii2A:
20.78
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.
1l3i PRECORRIN-6Y
METHYLTRANSFERASE/PU
TATIVE DECARBOXYLASE

(Methanothermobacter
thermautotrophicus) 		PF13847
(Methyltransf_31) 		5 THR A  17
GLY A  41
GLY A  43
GLY A  46
ASP A  90
 SAH  A 801 (-3.7A)
SAH  A 801 (-3.4A)
SAH  A 801 (-3.2A)
SAH  A 801 (-3.2A)
SAH  A 801 (-3.8A)
 0.60A 2b25A-1l3iA:
21.0		 2b25A-1l3iA:
20.11
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.
1m64 FLAVOCYTOCHROME C3

(Shewanella
frigidimarina) 		PF00890
(FAD_binding_2)
PF14537
(Cytochrom_c3_2) 		5 GLY A 547
GLY A 171
GLY A 234
MET A 235
ASP A 552
 FAD  A3000 ( 3.2A)
FAD  A3000 (-4.2A)
None
None
None
 1.04A 2b25A-1m64A:
2.9		 2b25A-1m64A:
19.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mza PRO-GRANZYME K

(Homo sapiens) 		PF00089
(Trypsin) 		5 GLY A 142
GLY A 193
GLY A 196
ARG A 149
ASP A 145
 None
 1.05A 2b25A-1mzaA:
undetectable		 2b25A-1mzaA:
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.
1nnw HYPOTHETICAL PROTEIN

(Pyrococcus
furiosus) 		no annotation 5 GLY A  41
GLY A  71
GLY A 139
VAL A  44
ILE A  10
 None
 0.90A 2b25A-1nnwA:
undetectable		 2b25A-1nnwA:
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.
1o54 SAM-DEPENDENT
O-METHYLTRANSFERASE

(Thermotoga
maritima) 		PF08704
(GCD14) 		5 GLY A 108
GLY A 110
MET A 114
ASP A 160
ILE A 161
 None
 0.88A 2b25A-1o54A:
24.4		 2b25A-1o54A:
28.32
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.
1pem RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE 2
ALPHA CHAIN

(Salmonella
enterica) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF08343
(RNR_N) 		5 GLY A 410
GLY A 460
ARG A 399
HIS A 408
ILE A 183
 None
 1.02A 2b25A-1pemA:
2.1		 2b25A-1pemA:
17.84
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.
1poj ISOASPARTYL
DIPEPTIDASE

(Escherichia
coli) 		PF01979
(Amidohydro_1) 		5 THR A 106
GLY A 288
GLY A  74
GLY A  76
VAL A  87
 AE1  A 401 (-3.1A)
AE1  A 401 ( 4.1A)
AE1  A 401 (-3.4A)
None
None
 0.94A 2b25A-1pojA:
undetectable		 2b25A-1pojA:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qpg 3-PHOSPHOGLYCERATE
KINASE

(Saccharomyces
cerevisiae) 		PF00162
(PGK) 		6 THR A 373
GLY A 211
GLY A 210
VAL A 214
ASP A 256
ILE A 254
 MAP  A 450 (-3.7A)
MAP  A 450 (-3.6A)
None
None
None
None
 1.46A 2b25A-1qpgA:
2.9		 2b25A-1qpgA:
22.49
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.
1r4a ADP-RIBOSYLATION
FACTOR-LIKE PROTEIN
1

(Rattus
norvegicus) 		PF00025
(Arf) 		5 THR A  48
GLY A  29
GLY A  27
GLY A  70
ASP A 129
 GNP  A1201 ( 3.6A)
GNP  A1201 (-3.1A)
GNP  A1201 (-3.7A)
GNP  A1201 (-3.9A)
GNP  A1201 (-3.0A)
 1.01A 2b25A-1r4aA:
2.9		 2b25A-1r4aA:
20.18
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.
1rli TRP REPRESSOR
BINDING PROTEIN

(Bacillus
subtilis) 		PF03358
(FMN_red) 		5 THR A  16
GLY A   8
ASP A  92
ILE A  91
MET A  83
 PT  A 606 (-4.2A)
None
None
None
PT  A 601 (-3.4A)
 0.98A 2b25A-1rliA:
undetectable		 2b25A-1rliA:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tuo PUTATIVE
PHOSPHOMANNOMUTASE

(Thermus
thermophilus) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 THR A  57
GLY A 189
GLY A 187
ASP A 347
ILE A 349
 None
 1.06A 2b25A-1tuoA:
undetectable		 2b25A-1tuoA:
23.78
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.
1u0m PUTATIVE POLYKETIDE
SYNTHASE

(Streptomyces
coelicolor) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 THR A 338
GLY A 142
GLY A 332
HIS A 270
ILE A 162
 None
 1.05A 2b25A-1u0mA:
undetectable		 2b25A-1u0mA:
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.
1v5f PYRUVATE OXIDASE

(Aerococcus
viridans) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 THR A 239
GLY A 217
GLY A 215
ASP A 303
ILE A 302
 FAD  A1601 (-2.8A)
FAD  A1601 (-3.4A)
FAD  A1601 (-2.9A)
None
FAD  A1601 (-3.9A)
 1.04A 2b25A-1v5fA:
undetectable		 2b25A-1v5fA:
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.
1wdt ELONGATION FACTOR G
HOMOLOG

(Thermus
thermophilus) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03764
(EFG_IV)
PF14492
(EFG_II) 		5 THR A  61
GLY A  21
GLY A  19
GLY A  83
ASP A 137
 MG  A 701 ( 3.0A)
GTP  A 700 (-3.3A)
GTP  A 700 (-3.6A)
GTP  A 700 (-3.1A)
GTP  A 700 (-2.8A)
 0.94A 2b25A-1wdtA:
undetectable		 2b25A-1wdtA:
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.
1wqa PHOSPHO-SUGAR MUTASE

(Pyrococcus
horikoshii) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 THR A 283
GLY A 330
GLY A 324
VAL A 250
ILE A 259
 THR  A 283 ( 0.8A)
GLY  A 330 ( 0.0A)
GLY  A 324 ( 0.0A)
VAL  A 250 ( 0.6A)
ILE  A 259 ( 0.4A)
 1.00A 2b25A-1wqaA:
2.1		 2b25A-1wqaA:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wy7 HYPOTHETICAL PROTEIN
PH1948

(Pyrococcus
horikoshii) 		PF05175
(MTS) 		5 THR A  30
GLY A  57
GLY A  59
VAL A  80
ASP A 105
 SAH  A1001 (-4.0A)
SAH  A1001 (-3.4A)
SAH  A1001 (-3.3A)
SAH  A1001 (-4.0A)
SAH  A1001 (-3.2A)
 0.64A 2b25A-1wy7A:
16.5		 2b25A-1wy7A:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x3s RAS-RELATED PROTEIN
RAB-18

(Homo sapiens) 		PF00071
(Ras) 		5 THR A  40
GLY A  20
GLY A  18
GLY A  66
ASP A 125
 MG  A 200 ( 3.0A)
GNP  A 300 (-3.3A)
GNP  A 300 (-3.5A)
GNP  A 300 (-3.2A)
GNP  A 300 (-2.9A)
 1.01A 2b25A-1x3sA:
undetectable		 2b25A-1x3sA:
19.88
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.
1yhn RAS-RELATED PROTEIN
RAB-7

(Homo sapiens) 		PF00071
(Ras) 		5 THR A  40
GLY A  20
GLY A  18
GLY A  66
ASP A 128
 MG  A 302 ( 2.8A)
GTP  A 301 (-2.9A)
GTP  A 301 (-2.6A)
GTP  A 301 (-3.3A)
GTP  A 301 (-2.8A)
 1.06A 2b25A-1yhnA:
undetectable		 2b25A-1yhnA:
20.72
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.
1yvd RAS-RELATED PROTEIN
RAB-22A

(Mus musculus) 		PF00071
(Ras) 		5 THR A  37
GLY A  17
GLY A  15
GLY A  63
ASP A 121
 MG  A 850 ( 3.2A)
GNP  A 900 (-3.2A)
GNP  A 900 (-3.8A)
GNP  A 900 (-3.2A)
GNP  A 900 (-3.0A)
 1.04A 2b25A-1yvdA:
2.5		 2b25A-1yvdA:
22.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yzn GTP-BINDING PROTEIN
YPT1

(Saccharomyces
cerevisiae) 		PF00071
(Ras) 		5 THR A  40
GLY A  20
GLY A  18
GLY A  66
ASP A 124
 MG  A 301 ( 3.1A)
GNP  A 300 (-3.3A)
GNP  A 300 (-3.7A)
GNP  A 300 (-3.1A)
GNP  A 300 (-2.9A)
 1.02A 2b25A-1yznA:
2.5		 2b25A-1yznA:
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.
1z0k GTP-BINDING PROTEIN

(Homo sapiens) 		PF00071
(Ras) 		5 THR A  40
GLY A  20
GLY A  18
GLY A  66
ASP A 124
 MG  A1201 ( 3.1A)
GTP  A1200 (-3.3A)
GTP  A1200 (-3.6A)
GTP  A1200 (-3.5A)
GTP  A1200 (-2.9A)
 0.99A 2b25A-1z0kA:
undetectable		 2b25A-1z0kA:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zc4 RAS-RELATED PROTEIN
RAL-A

(Homo sapiens) 		PF00071
(Ras) 		5 THR A  46
GLY A  26
GLY A  24
GLY A  71
ASP A 130
 MG  A 200 ( 2.7A)
GNP  A 400 (-3.2A)
GNP  A 400 (-3.4A)
GNP  A 400 (-3.6A)
GNP  A 400 (-2.9A)
 1.01A 2b25A-1zc4A:
undetectable		 2b25A-1zc4A:
19.01
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.
2af4 PHOSPHATE
ACETYLTRANSFERASE

(Methanosarcina
thermophila) 		PF01515
(PTA_PTB) 		5 GLY C 241
GLY C 213
VAL C 263
ILE C 239
MET C 206
 None
 0.95A 2b25A-2af4C:
undetectable		 2b25A-2af4C:
22.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2b25 HYPOTHETICAL PROTEIN

(Homo sapiens) 		PF08704
(GCD14) 		5 GLY A 113
GLY A 116
ARG A 137
HIS A 140
ILE A 170
 SAM  A 601 (-3.2A)
SAM  A 601 (-3.5A)
None
SAM  A 601 (-4.0A)
None
 0.99A 2b25A-2b25A:
41.6		 2b25A-2b25A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2b25 HYPOTHETICAL PROTEIN

(Homo sapiens) 		PF08704
(GCD14) 		12 THR A  84
THR A  87
GLY A 111
GLY A 113
GLY A 116
MET A 117
VAL A 136
ARG A 137
HIS A 140
ASP A 173
ILE A 174
MET A 193
 SAM  A 601 (-3.8A)
SAM  A 601 (-3.7A)
SAM  A 601 (-2.9A)
SAM  A 601 (-3.2A)
SAM  A 601 (-3.5A)
None
SAM  A 601 (-4.0A)
None
SAM  A 601 (-4.0A)
SAM  A 601 (-3.4A)
SAM  A 601 (-4.2A)
SAM  A 601 ( 4.2A)
 0.01A 2b25A-2b25A:
41.6		 2b25A-2b25A:
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.
2erx GTP-BINDING PROTEIN
DI-RAS2

(Homo sapiens) 		PF00071
(Ras) 		5 THR A  39
GLY A  19
GLY A  17
GLY A  64
ASP A 124
 MG  A 403 ( 3.0A)
GDP  A 401 (-3.2A)
GDP  A 401 (-3.3A)
PO4  A 402 (-3.3A)
GDP  A 401 (-2.9A)
 1.05A 2b25A-2erxA:
undetectable		 2b25A-2erxA:
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.
2ew1 RAS-RELATED PROTEIN
RAB-30

(Homo sapiens) 		PF00071
(Ras) 		5 THR A  40
GLY A  20
GLY A  18
GLY A  66
ASP A 124
 MG  A 701 ( 3.0A)
GNP  A 700 (-3.1A)
GNP  A 700 (-3.6A)
GNP  A 700 (-3.0A)
GNP  A 700 (-3.0A)
 1.06A 2b25A-2ew1A:
2.6		 2b25A-2ew1A:
20.88
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.
2fg5 RAS-RELATED PROTEIN
RAB-31

(Homo sapiens) 		PF00071
(Ras) 		5 THR A  37
GLY A  17
GLY A  15
GLY A  63
ASP A 121
 MG  A 301 ( 3.2A)
GNP  A 302 (-3.1A)
GNP  A 302 (-3.7A)
GNP  A 302 (-3.2A)
GNP  A 302 (-2.9A)
 1.04A 2b25A-2fg5A:
undetectable		 2b25A-2fg5A:
21.89
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.
2g6b RAS-RELATED PROTEIN
RAB-26

(Homo sapiens) 		PF00071
(Ras) 		5 THR A  96
GLY A  75
GLY A  73
GLY A 122
ASP A 180
 MG  A 301 ( 3.1A)
GNP  A 302 (-3.3A)
GNP  A 302 (-3.6A)
GNP  A 302 (-3.3A)
GNP  A 302 (-3.0A)
 1.01A 2b25A-2g6bA:
2.6		 2b25A-2g6bA:
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.
2gju 252AA LONG
HYPOTHETICAL PROTEIN

(Pyrococcus
horikoshii) 		no annotation 5 GLY A  41
GLY A  71
GLY A 139
VAL A  44
ILE A  10
 None
 0.92A 2b25A-2gjuA:
undetectable		 2b25A-2gjuA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gzh RAS-RELATED PROTEIN
RAB-11A

(Homo sapiens) 		PF00071
(Ras) 		5 THR A  43
GLY A  23
GLY A  21
GLY A  69
ASP A 127
 MG  A 950 ( 3.2A)
GTP  A 900 (-3.1A)
GTP  A 900 (-3.8A)
GTP  A 900 (-3.7A)
GTP  A 900 (-2.9A)
 1.06A 2b25A-2gzhA:
undetectable		 2b25A-2gzhA:
17.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ocb RAS-RELATED PROTEIN
RAB-9B

(Homo sapiens) 		PF00071
(Ras) 		5 THR A  39
GLY A  19
GLY A  17
GLY A  65
ASP A 127
 MG  A 202 ( 3.2A)
GNP  A 201 (-3.5A)
GNP  A 201 (-3.8A)
GNP  A 201 (-3.2A)
GNP  A 201 (-3.0A)
 0.95A 2b25A-2ocbA:
2.2		 2b25A-2ocbA:
20.23
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.
2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF06460
(NSP13) 		5 GLY A  71
GLY A  73
GLY A  81
ASP A 114
MET A 131
 SAH  A1293 (-3.8A)
SAH  A1293 (-4.1A)
SAH  A1293 (-3.6A)
SAH  A1293 (-3.7A)
SAH  A1293 (-3.8A)
 0.98A 2b25A-2xyqA:
8.6		 2b25A-2xyqA:
22.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yxd PROBABLE
COBALT-PRECORRIN-6Y
C(15)-METHYLTRANSFER
ASE
[DECARBOXYLATING]

(Methanocaldococcus
jannaschii) 		PF13847
(Methyltransf_31) 		5 THR A  19
GLY A  43
GLY A  45
GLY A  48
MET A  49
 SO4  A1001 (-3.8A)
None
SO4  A1001 ( 3.8A)
SO4  A1001 (-3.0A)
None
 0.92A 2b25A-2yxdA:
19.5		 2b25A-2yxdA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zet RAS-RELATED PROTEIN
RAB-27B

(Mus musculus) 		PF00071
(Ras) 		5 THR A  41
GLY A  21
GLY A  19
GLY A  77
ASP A 136
 GTP  A 203 ( 3.4A)
GTP  A 203 (-3.0A)
GTP  A 203 (-3.3A)
GTP  A 203 (-3.3A)
GTP  A 203 (-2.7A)
 1.04A 2b25A-2zetA:
undetectable		 2b25A-2zetA:
20.73
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.
3bc1 RAS-RELATED PROTEIN
RAB-27A

(Mus musculus) 		PF00071
(Ras) 		5 THR A  41
GLY A  21
GLY A  19
GLY A  77
ASP A 136
 MG  A 194 ( 3.1A)
GNP  A 195 (-3.3A)
GNP  A 195 (-3.7A)
GNP  A 195 (-3.7A)
GNP  A 195 (-2.9A)
 1.07A 2b25A-3bc1A:
undetectable		 2b25A-3bc1A:
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.
3c85 PUTATIVE
GLUTATHIONE-REGULATE
D POTASSIUM-EFFLUX
SYSTEM PROTEIN KEFB

(Vibrio
parahaemolyticus) 		PF02254
(TrkA_N) 		5 GLY A  42
GLY A  44
GLY A  49
ASP A  86
MET A 109
 None
None
None
SO4  A 201 (-4.4A)
None
 1.04A 2b25A-3c85A:
7.3		 2b25A-3c85A:
21.79
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.
3fr8 PUTATIVE KETOL-ACID
REDUCTOISOMERASE
(OS05G0573700
PROTEIN)

(Oryza sativa) 		PF01450
(IlvC)
PF07991
(IlvN) 		5 GLY A 272
GLY A 299
GLY A 110
ARG A 259
ILE A 579
 None
 1.01A 2b25A-3fr8A:
3.0		 2b25A-3fr8A:
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.
3giu PYRROLIDONE-CARBOXYL
ATE PEPTIDASE

(Staphylococcus
aureus) 		PF01470
(Peptidase_C15) 		5 THR A  42
GLY A  67
ARG A  72
HIS A 165
ILE A 169
 ACY  A 214 ( 3.5A)
ACY  A 214 (-3.6A)
None
ZN  A 213 (-3.5A)
None
 0.95A 2b25A-3giuA:
undetectable		 2b25A-3giuA:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ivr PUTATIVE
LONG-CHAIN-FATTY-ACI
D COA LIGASE

(Rhodopseudomonas
palustris) 		PF00501
(AMP-binding) 		5 THR A 215
GLY A 280
GLY A 304
VAL A 278
ILE A 287
 None
GOL  A 512 (-4.9A)
None
None
None
 1.00A 2b25A-3ivrA:
2.3		 2b25A-3ivrA:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k9b LIVER
CARBOXYLESTERASE 1

(Homo sapiens) 		PF00135
(COesterase) 		5 GLY A1248
GLY A1224
GLY A1141
VAL A1348
ILE A1350
 None
None
WW2  A 193 (-3.8A)
None
None
 1.06A 2b25A-3k9bA:
undetectable		 2b25A-3k9bA:
22.20
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.
3lga SAM-DEPENDENT
METHYLTRANSFERASE

(Pyrococcus
abyssi) 		PF08704
(GCD14)
PF14801
(GCD14_N) 		5 GLY A 101
GLY A 103
ARG A 127
ASP A 153
ILE A 154
 SAH  A 301 (-3.1A)
SAH  A 301 (-3.5A)
None
SAH  A 301 (-3.1A)
SAH  A 301 (-4.3A)
 0.73A 2b25A-3lgaA:
25.3		 2b25A-3lgaA:
28.10
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.
3ll8 SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2B
CATALYTIC SUBUNIT
ALPHA ISOFORM

(Homo sapiens) 		PF00149
(Metallophos) 		5 GLY A 117
GLY A 149
GLY A 200
VAL A 120
ILE A  91
 None
 1.02A 2b25A-3ll8A:
undetectable		 2b25A-3ll8A:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qbt RAS-RELATED PROTEIN
RAB-8A

(Homo sapiens) 		PF00071
(Ras) 		5 THR A  40
GLY A  20
GLY A  18
GLY A  66
ASP A 124
 MG  A 201 (-3.2A)
GNP  A 200 (-3.2A)
GNP  A 200 (-3.6A)
GNP  A 200 (-3.2A)
GNP  A 200 (-2.8A)
 0.99A 2b25A-3qbtA:
2.6		 2b25A-3qbtA:
19.53
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.
3r24 2'-O-METHYL
TRANSFERASE

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF06460
(NSP13) 		5 GLY A  71
GLY A  73
GLY A  81
ASP A 114
MET A 131
 SAM  A 302 (-3.7A)
SAM  A 302 (-4.1A)
SAM  A 302 (-3.4A)
SAM  A 302 (-3.4A)
SAM  A 302 (-3.7A)
 1.01A 2b25A-3r24A:
8.5		 2b25A-3r24A:
20.64
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.
3rap PROTEIN (G PROTEIN
RAP2A)

(Homo sapiens) 		PF00071
(Ras) 		5 THR R  35
GLY R  15
GLY R  13
GLY R  60
ASP R 119
 MG  R 200 ( 2.7A)
GTP  R 180 (-3.1A)
GTP  R 180 (-3.5A)
GTP  R 180 (-3.3A)
GTP  R 180 (-2.9A)
 0.96A 2b25A-3rapR:
2.3		 2b25A-3rapR:
20.29
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.
3s9b VIPERA RUSSELLI
PROTEINASE RVV-V
GAMMA

(Daboia
siamensis) 		PF00089
(Trypsin) 		5 GLY A 142
GLY A 193
GLY A 196
HIS A 192
ILE A 144
 None
 0.95A 2b25A-3s9bA:
undetectable		 2b25A-3s9bA:
19.23
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.
3tjz ADP-RIBOSYLATION
FACTOR 1

(Saccharomyces
cerevisiae) 		PF00025
(Arf) 		5 THR A  48
GLY A  29
GLY A  27
GLY A  70
ASP A 129
 MG  A 202 ( 3.0A)
GNP  A 201 (-3.0A)
GNP  A 201 (-3.4A)
GNP  A 201 (-3.6A)
GNP  A 201 (-2.9A)
 0.98A 2b25A-3tjzA:
undetectable		 2b25A-3tjzA:
18.10
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.
3v4y SERINE/THREONINE-PRO
TEIN PHOSPHATASE
PP1-ALPHA CATALYTIC
SUBUNIT

(Homo sapiens) 		PF00149
(Metallophos)
PF16891
(STPPase_N) 		5 GLY A  91
GLY A 123
GLY A 174
VAL A  94
ILE A  65
 None
 1.04A 2b25A-3v4yA:
undetectable		 2b25A-3v4yA:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vm5 ALPHA-AMYLASE

(Oryzias latipes) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		5 THR A 296
THR A 336
GLY A 326
ASP A 486
ILE A 454
 None
 0.95A 2b25A-3vm5A:
undetectable		 2b25A-3vm5A:
21.71
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.
3wyf GSP1P

(Saccharomyces
cerevisiae) 		PF00071
(Ras) 		5 THR A  44
GLY A  24
GLY A  22
GLY A  70
ASP A 127
 MG  A 302 ( 2.9A)
GTP  A 301 (-3.4A)
GTP  A 301 (-3.6A)
GTP  A 301 (-3.4A)
GTP  A 301 (-2.9A)
 1.00A 2b25A-3wyfA:
undetectable		 2b25A-3wyfA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4aio LIMIT DEXTRINASE

(Hordeum vulgare) 		PF02922
(CBM_48)
PF11852
(DUF3372) 		5 GLY A 526
GLY A 476
GLY A 509
HIS A 477
ILE A 524
 None
None
None
None
GOL  A1885 ( 4.2A)
 1.05A 2b25A-4aioA:
undetectable		 2b25A-4aioA:
16.08
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.
4bju N-ACETYLGLUCOSAMINE-
PHOSPHATE MUTASE

(Aspergillus
fumigatus) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I) 		5 THR A 134
GLY A 221
GLY A 219
ASP A 427
ILE A 429
 None
 1.01A 2b25A-4bjuA:
undetectable		 2b25A-4bjuA:
21.10
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.
4cz2 RAS-RELATED PROTEIN
RAB-32

(Homo sapiens) 		PF00071
(Ras) 		5 THR A  57
GLY A  37
GLY A  35
GLY A  84
ASP A 146
 MG  A1199 ( 2.9A)
GCP  A1198 (-3.3A)
GCP  A1198 (-3.2A)
GCP  A1198 (-4.0A)
GCP  A1198 (-2.7A)
 0.98A 2b25A-4cz2A:
undetectable		 2b25A-4cz2A:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d0m RAS-RELATED PROTEIN
RAB-11A

(Homo sapiens) 		PF00071
(Ras) 		5 THR B  43
GLY B  23
GLY B  21
GLY B  69
ASP B 127
 MG  B2001 ( 2.7A)
GSP  B2000 (-3.0A)
GSP  B2000 (-3.5A)
GSP  B2000 (-4.1A)
GSP  B2000 (-2.9A)
 0.99A 2b25A-4d0mB:
undetectable		 2b25A-4d0mB:
19.41
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.
4hxy PLM1

(Streptomyces
sp. HK803) 		PF08659
(KR) 		5 GLY A 106
GLY A 109
GLY A 331
ARG A 168
ASP A 127
 None
 0.99A 2b25A-4hxyA:
5.6		 2b25A-4hxyA:
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.
4iv8 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
knowlesi) 		PF08241
(Methyltransf_11) 		5 GLY A  61
GLY A  63
GLY A  66
ASP A 108
ILE A 109
 SAM  A 301 (-3.5A)
SAM  A 301 ( 3.9A)
None
SAM  A 301 (-3.5A)
SAM  A 301 (-4.1A)
 0.53A 2b25A-4iv8A:
12.2		 2b25A-4iv8A:
25.56
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.
4iv8 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
knowlesi) 		PF08241
(Methyltransf_11) 		5 GLY A  61
GLY A  63
GLY A  67
ASP A 108
ILE A 109
 SAM  A 301 (-3.5A)
SAM  A 301 ( 3.9A)
None
SAM  A 301 (-3.5A)
SAM  A 301 (-4.1A)
 0.88A 2b25A-4iv8A:
12.2		 2b25A-4iv8A:
25.56
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.
4j05 PHOSPHATE
TRANSPORTER

(Serendipita
indica) 		PF00083
(Sugar_tr) 		5 THR A 434
GLY A 492
GLY A 319
GLY A 315
ILE A 490
 None
 0.98A 2b25A-4j05A:
undetectable		 2b25A-4j05A:
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.
4jvs RAS-RELATED PROTEIN
RAB-1A

(Homo sapiens) 		PF00071
(Ras) 		5 THR B  43
GLY B  23
GLY B  21
GLY B  69
ASP B 127
 MG  B 402 (-2.8A)
GDP  B 400 (-3.0A)
GDP  B 400 ( 3.5A)
AF3  B 401 (-3.7A)
GDP  B 400 (-2.8A)
 1.02A 2b25A-4jvsB:
undetectable		 2b25A-4jvsB:
20.59
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.
4m8n RAS-RELATED PROTEIN
RAP-1B

(Homo sapiens) 		PF00071
(Ras) 		5 THR E  35
GLY E  15
GLY E  13
GLY E  60
ASP E 119
 MG  E 200 (-2.7A)
GDP  E 201 (-3.6A)
GDP  E 201 ( 3.1A)
AF3  E 202 (-3.3A)
GDP  E 201 (-2.8A)
 1.03A 2b25A-4m8nE:
undetectable		 2b25A-4m8nE:
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.
4m9d ADENYLOSUCCINATE
SYNTHETASE

(Bacillus
anthracis) 		PF00709
(Adenylsucc_synt) 		5 THR A 238
THR A 128
GLY A  36
GLY A 131
ILE A  68
 AMP  A 501 (-3.6A)
AMP  A 501 ( 2.8A)
None
None
None
 1.07A 2b25A-4m9dA:
2.6		 2b25A-4m9dA:
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.
4mwz PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
vivax) 		PF13649
(Methyltransf_25) 		5 GLY A  60
GLY A  62
GLY A  65
ASP A 107
ILE A 108
 SAM  A 301 (-3.7A)
SAM  A 301 ( 3.8A)
None
SAM  A 301 (-3.5A)
SAM  A 301 (-4.0A)
 0.49A 2b25A-4mwzA:
12.7		 2b25A-4mwzA:
24.09
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.
4mwz PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
vivax) 		PF13649
(Methyltransf_25) 		5 GLY A  60
GLY A  62
GLY A  66
ASP A 107
ILE A 108
 SAM  A 301 (-3.7A)
SAM  A 301 ( 3.8A)
None
SAM  A 301 (-3.5A)
SAM  A 301 (-4.0A)
 0.88A 2b25A-4mwzA:
12.7		 2b25A-4mwzA:
24.09
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.
4nkp PUTATIVE
EXTRACELLULAR
HEME-BINDING PROTEIN

(Desulfovibrio
piger) 		PF03928
(Haem_degrading) 		5 THR A 104
GLY A 147
GLY A 133
GLY A 157
VAL A  67
 None
 1.06A 2b25A-4nkpA:
undetectable		 2b25A-4nkpA:
20.18
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.
4qtu PUTATIVE
METHYLTRANSFERASE
BUD23

(Saccharomyces
cerevisiae) 		PF08241
(Methyltransf_11) 		5 THR B 143
GLY B 101
GLY B 103
ASP B  77
ILE B  78
 EDO  B 303 ( 4.8A)
None
None
SAM  B 301 (-2.6A)
SAM  B 301 (-3.7A)
 1.05A 2b25A-4qtuB:
15.1		 2b25A-4qtuB:
22.15
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.
4qxa RAS-RELATED PROTEIN
RAB-9A

(Mus musculus) 		PF00071
(Ras) 		5 THR A  39
GLY A  19
GLY A  17
GLY A  65
ASP A 127
 MG  A 302 ( 3.2A)
GTP  A 301 (-3.2A)
GTP  A 301 (-3.3A)
GTP  A 301 (-3.3A)
GTP  A 301 (-2.9A)
 0.96A 2b25A-4qxaA:
undetectable		 2b25A-4qxaA:
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.
4r6w PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE

(Plasmodium
falciparum) 		PF13649
(Methyltransf_25) 		5 GLY A  63
GLY A  65
GLY A  68
ASP A 110
ILE A 111
 SAH  A 302 (-3.7A)
SAH  A 302 (-3.6A)
None
SAH  A 302 (-3.6A)
SAH  A 302 (-4.1A)
 0.56A 2b25A-4r6wA:
12.4		 2b25A-4r6wA:
22.75
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.
4r6w PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE

(Plasmodium
falciparum) 		PF13649
(Methyltransf_25) 		5 GLY A  63
GLY A  65
GLY A  69
ASP A 110
ILE A 111
 SAH  A 302 (-3.7A)
SAH  A 302 (-3.6A)
None
SAH  A 302 (-3.6A)
SAH  A 302 (-4.1A)
 0.89A 2b25A-4r6wA:
12.4		 2b25A-4r6wA:
22.75
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.
4y9d C
ALPHA-DEHYDROGENASE

(Sphingobium sp.
SYK-6) 		PF00106
(adh_short) 		5 GLY A  13
GLY A  21
VAL A  38
ASP A  63
ILE A  64
 NAI  A 401 (-2.9A)
None
NAI  A 401 ( 4.3A)
NAI  A 401 (-2.6A)
NAI  A 401 (-3.9A)
 0.78A 2b25A-4y9dA:
7.1		 2b25A-4y9dA:
23.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yac C
ALPHA-DEHYDROGENASE

(Sphingobium sp.
SYK-6) 		PF00106
(adh_short) 		6 GLY A  13
GLY A  15
GLY A  21
ARG A  40
HIS A  43
ASP A  64
 NAI  A 500 (-3.4A)
NAI  A 500 ( 4.2A)
None
None
NAI  A 500 (-3.5A)
NAI  A 500 (-3.6A)
 1.22A 2b25A-4yacA:
6.7		 2b25A-4yacA:
19.50
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.
4yai C
ALPHA-DEHYDROGENASE

(Sphingobium sp.
SYK-6) 		PF00106
(adh_short) 		5 GLY A  12
GLY A  20
ARG A  38
HIS A  41
ASP A  64
 NAI  A 500 (-2.8A)
None
None
NAI  A 500 (-3.9A)
NAI  A 500 (-3.0A)
 1.01A 2b25A-4yaiA:
7.0		 2b25A-4yaiA:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ccx TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRMT61A

(Homo sapiens) 		PF08704
(GCD14) 		5 THR A  84
GLY A 111
GLY A 113
GLY A 115
ASP A 163
 SAH  A 301 (-3.4A)
SAH  A 301 (-3.2A)
SAH  A 301 (-2.9A)
SAH  A 301 (-3.9A)
SAH  A 301 (-2.7A)
 0.84A 2b25A-5ccxA:
24.3		 2b25A-5ccxA:
25.58
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.
5cyp SEPTIN-9

(Homo sapiens) 		PF00735
(Septin) 		5 THR A  64
GLY A  35
GLY A  33
GLY A  90
ASP A 172
 MG  A 302 ( 2.9A)
GSP  A 301 (-3.1A)
GSP  A 301 (-3.3A)
GSP  A 301 ( 3.8A)
GSP  A 301 (-2.6A)
 0.95A 2b25A-5cypA:
2.1		 2b25A-5cypA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dis GTP-BINDING NUCLEAR
PROTEIN RAN

(Homo sapiens) 		PF00071
(Ras) 		5 THR B  42
GLY B  22
GLY B  20
GLY B  68
ASP B 125
 MG  B 202 ( 2.9A)
GTP  B 201 (-3.3A)
GTP  B 201 (-3.6A)
GTP  B 201 (-3.8A)
GTP  B 201 (-2.6A)
 1.00A 2b25A-5disB:
undetectable		 2b25A-5disB:
19.52
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.
5dm4 METHYLTRANSFERASE
DOMAIN FAMILY

(Bacillus
pumilus) 		PF13489
(Methyltransf_23) 		5 GLY A  67
GLY A  69
MET A  73
ASP A 112
ILE A 113
 SAH  A 300 (-3.6A)
SAH  A 300 ( 3.7A)
SAH  A 300 ( 4.5A)
SAH  A 300 (-2.9A)
SAH  A 300 (-4.5A)
 0.92A 2b25A-5dm4A:
10.7		 2b25A-5dm4A:
21.45
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.
5esr HALOALKANE
DEHALOGENASE

(Caulobacter
vibrioides) 		PF00561
(Abhydrolase_1) 		5 THR A 148
GLY A 126
GLY A  54
VAL A 133
ILE A 117
 None
 0.86A 2b25A-5esrA:
2.1		 2b25A-5esrA:
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.
5gkx UNCHARACTERIZED
PROTEIN

(Thermococcus
onnurineus) 		PF14336
(DUF4392) 		5 THR A 187
GLY A 118
GLY A 165
MET A 164
ILE A 133
 None
 0.88A 2b25A-5gkxA:
2.5		 2b25A-5gkxA:
23.23
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.
5irr SEPTIN-LIKE PROTEIN

(Chlamydomonas
reinhardtii) 		PF00735
(Septin) 		5 THR A 146
GLY A 122
GLY A 120
GLY A 182
ASP A 265
 MG  A 401 ( 3.2A)
GSP  A 402 (-3.1A)
GSP  A 402 (-3.5A)
GSP  A 402 (-3.4A)
GSP  A 402 (-2.8A)
 0.93A 2b25A-5irrA:
undetectable		 2b25A-5irrA:
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.
5iz3 PREDICTED PROTEIN

(Physcomitrella
patens) 		PF00316
(FBPase) 		5 GLY B 201
GLY B 172
GLY B 170
ASP B 211
ILE B 207
 None
 1.05A 2b25A-5iz3B:
undetectable		 2b25A-5iz3B:
23.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l9w ACETOPHENONE
CARBOXYLASE ALPHA
SUBUNIT

(Aromatoleum
aromaticum) 		PF01968
(Hydantoinase_A)
PF05378
(Hydant_A_N) 		5 THR b  11
GLY b 316
GLY b 276
GLY b 436
VAL b 314
 ADP  b 801 (-2.9A)
None
ADP  b 801 (-3.5A)
ADP  b 801 (-3.1A)
None
 1.07A 2b25A-5l9wb:
undetectable		 2b25A-5l9wb:
18.64
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.
5szj RAS-RELATED PROTEIN
RAB-10

(Homo sapiens) 		PF00071
(Ras) 		5 THR A  41
GLY A  21
GLY A  19
GLY A  67
ASP A 125
 MG  A 302 ( 3.1A)
GNP  A 301 (-3.0A)
GNP  A 301 (-3.5A)
GNP  A 301 (-3.2A)
GNP  A 301 (-3.2A)
 0.99A 2b25A-5szjA:
2.5		 2b25A-5szjA:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5txr 5-AMINOLEVULINATE
SYNTHASE,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		no annotation 5 GLY B 333
GLY B 344
GLY B 336
VAL B 346
ILE B 331
 None
PLP  B 605 ( 4.8A)
None
None
None
 1.06A 2b25A-5txrB:
2.4		 2b25A-5txrB:
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.
5v2i GLYCOSYLASPARAGINASE

(Elizabethkingia
meningoseptica) 		PF01112
(Asparaginase_2) 		5 THR A 152
THR A  10
GLY A 190
GLY A 256
ILE A 187
 None
 1.03A 2b25A-5v2iA:
undetectable		 2b25A-5v2iA:
22.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wdr RAS PROTEIN

(Choanoflagellida) 		PF00071
(Ras) 		5 THR A  35
GLY A  15
GLY A  13
GLY A  60
ASP A 119
 MG  A 201 ( 3.1A)
GNP  A 203 (-2.9A)
GNP  A 203 (-3.0A)
GNP  A 203 (-3.2A)
GNP  A 203 (-2.0A)
 0.94A 2b25A-5wdrA:
undetectable		 2b25A-5wdrA:
19.58
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.
5whr INDOLEAMINE
2,3-DIOXYGENASE 1

(Homo sapiens) 		no annotation 5 THR A 382
THR A 379
GLY A 265
GLY A 261
ASP A 274
 HEM  A 501 (-2.9A)
AOJ  A 502 ( 2.9A)
HEM  A 501 ( 3.7A)
None
None
 0.95A 2b25A-5whrA:
undetectable		 2b25A-5whrA:
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.
5yl7 PSEUDOALTEROMONAS
ARCTICA PAMC 21717

(Pseudoalteromonas
arctica) 		no annotation 5 THR A 284
GLY A 318
GLY A 317
GLY A 282
ASP A 349
 None
 1.06A 2b25A-5yl7A:
undetectable		 2b25A-5yl7A:
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.
5z2m -

(-) 		no annotation 5 THR A  40
GLY A  20
GLY A  18
GLY A  66
ASP A 128
 MG  A 201 ( 3.0A)
GTP  A 202 (-3.3A)
GTP  A 202 (-3.4A)
GTP  A 202 (-3.2A)
GTP  A 202 (-2.7A)
 0.98A 2b25A-5z2mA:
2.4		 2b25A-5z2mA:
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.
6b9u DNA GYRASE, SUBUNIT
B:SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE
SDR:GLUCOSE/RIBITOL
DEHYDROGENASE

(Brucella
abortus) 		no annotation 6 GLY A  13
GLY A  15
GLY A  21
MET A  22
ASP A  60
ILE A  61
 NAI  A 301 (-3.1A)
NAI  A 301 ( 4.3A)
None
None
NAI  A 301 (-3.4A)
NAI  A 301 (-3.9A)
 1.07A 2b25A-6b9uA:
6.0		 2b25A-6b9uA:
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.
6bqc CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE

(Escherichia
coli) 		no annotation 5 GLY A 175
GLY A 177
GLY A 180
ASP A 221
MET A 237
 None
 0.81A 2b25A-6bqcA:
13.4		 2b25A-6bqcA:
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.
6f76 -

(-) 		no annotation 5 THR B  35
GLY B  15
GLY B  13
GLY B  60
ASP B 119
 MG  B 201 ( 3.0A)
GNP  B 202 (-3.2A)
GNP  B 202 (-3.6A)
GNP  B 202 (-3.4A)
GNP  B 202 (-2.9A)
 1.01A 2b25A-6f76B:
undetectable		 2b25A-6f76B:
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.
6fdf TRNA
(CYTOSINE(38)-C(5))-
METHYLTRANSFERASE

(Schizosaccharomyces
pombe) 		no annotation 5 GLY A  15
GLY A  18
MET A  19
ASP A  58
ILE A  59
 SAH  A 401 (-3.4A)
SAH  A 401 (-3.6A)
None
SAH  A 401 (-3.8A)
SAH  A 401 (-3.7A)
 0.86A 2b25A-6fdfA:
8.4		 2b25A-6fdfA:
undetectable