SIMILAR PATTERNS OF AMINO ACIDS FOR 3G8B_B_SAMB303_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.
1b3n PROTEIN (KETOACYL
ACYL CARRIER PROTEIN
SYNTHASE 2)

(Escherichia
coli) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 105
GLY A 166
ALA A 160
THR A 161
ALA A 187
 None
 1.02A 3g8bB-1b3nA:
0.6		 3g8bB-1b3nA:
23.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dab P.69 PERTACTIN

(Bordetella
pertussis) 		PF03212
(Pertactin) 		5 GLY A 203
ASP A 228
ALA A 229
ALA A 231
ALA A 182
 None
 1.03A 3g8bB-1dabA:
0.0		 3g8bB-1dabA:
19.81
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.
1dgj ALDEHYDE
OXIDOREDUCTASE

(Desulfovibrio
desulfuricans) 		PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2) 		5 GLY A 656
GLY A 658
ASP A 654
GLU A 370
ALA A  98
 MCN  A 914 (-4.4A)
MCN  A 914 (-3.7A)
None
None
None
 1.08A 3g8bB-1dgjA:
undetectable		 3g8bB-1dgjA:
15.59
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.
1g0i INOSITOL
MONOPHOSPHATASE

(Methanocaldococcus
jannaschii) 		PF00459
(Inositol_P) 		5 GLY A 111
PHE A 100
ALA A 130
ALA A 183
ALA A 203
 None
 1.08A 3g8bB-1g0iA:
0.0		 3g8bB-1g0iA:
20.43
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.
1gz0 HYPOTHETICAL
TRNA/RRNA
METHYLTRANSFERASE
YJFH

(Escherichia
coli) 		PF00588
(SpoU_methylase)
PF08032
(SpoU_sub_bind) 		6 GLY A 196
GLY A 102
ASP A 101
ARG A 207
ALA A 175
GLU A 177
 None
 1.11A 3g8bB-1gz0A:
1.6		 3g8bB-1gz0A:
24.74
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.
1jal YCHF PROTEIN

(Haemophilus
influenzae) 		PF01926
(MMR_HSR1)
PF06071
(YchF-GTPase_C) 		5 GLY A 101
GLY A   6
PHE A  19
ARG A 179
GLU A 229
 None
 1.04A 3g8bB-1jalA:
0.0		 3g8bB-1jalA:
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.
1ko6 NUCLEAR PORE COMPLEX
PROTEIN NUP98

(Homo sapiens) 		PF04096
(Nucleoporin2) 		5 GLY A 756
GLY A 754
ASP A 807
THR A 853
GLU A 803
 None
 1.06A 3g8bB-1ko6A:
0.0		 3g8bB-1ko6A:
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.
1l2q MONOMETHYLAMINE
METHYLTRANSFERASE

(Methanosarcina
barkeri) 		PF05369
(MtmB) 		5 GLY A 119
ALA A 394
THR A 393
ALA A 122
ALA A 320
 None
 1.07A 3g8bB-1l2qA:
0.2		 3g8bB-1l2qA:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m5s FORMYLMETHANOFURAN--
TETRAHYDROMETHANOPTE
RIN
FORMYLTRANSFERASE

(Methanosarcina
barkeri) 		PF01913
(FTR)
PF02741
(FTR_C) 		5 GLY A 273
GLY A 170
PHE A 169
ASP A 171
ALA A 179
 None
 1.08A 3g8bB-1m5sA:
0.0		 3g8bB-1m5sA:
23.30
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.
1mlz 7,8-DIAMINO-PELARGON
IC ACID
AMINOTRANSFERASE

(Escherichia
coli) 		PF00202
(Aminotran_3) 		5 GLY A 273
GLY A 112
ALA A 285
THR A 286
ALA A 248
 None
PLP  A 430 (-3.3A)
None
None
PLP  A 430 ( 3.7A)
 1.09A 3g8bB-1mlzA:
undetectable		 3g8bB-1mlzA:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ofu CELL DIVISION
PROTEIN FTSZ

(Pseudomonas
aeruginosa) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 GLY A  20
GLY A  22
THR A 102
ALA A 113
ALA A  49
 GDP  A1318 (-3.5A)
GDP  A1318 (-3.4A)
None
None
None
 1.06A 3g8bB-1ofuA:
3.3		 3g8bB-1ofuA:
24.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pzn DNA REPAIR AND
RECOMBINATION
PROTEIN RAD51

(Pyrococcus
furiosus) 		PF08423
(Rad51)
PF14520
(HHH_5) 		5 GLY A  42
ALA A  81
THR A  80
ALA A  65
ALA A  48
 None
 1.02A 3g8bB-1pznA:
undetectable		 3g8bB-1pznA:
21.23
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.
1w07 ACYL-COA OXIDASE

(Arabidopsis
thaliana) 		PF01756
(ACOX)
PF02770
(Acyl-CoA_dh_M)
PF14749
(Acyl-CoA_ox_N) 		5 GLY A 177
GLY A 180
PHE A 241
ASP A 238
ALA A 136
 FAD  A1660 (-4.1A)
None
None
None
None
 1.08A 3g8bB-1w07A:
undetectable		 3g8bB-1w07A:
18.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xdz METHYLTRANSFERASE
GIDB

(Bacillus
subtilis) 		PF02527
(GidB) 		6 GLY A  77
GLY A  79
ASP A 100
ALA A 128
GLU A 129
ARG A 147
 None
 0.81A 3g8bB-1xdzA:
32.5		 3g8bB-1xdzA:
36.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xdz METHYLTRANSFERASE
GIDB

(Bacillus
subtilis) 		PF02527
(GidB) 		7 GLY A  79
PHE A  82
ASP A 100
ARG A 127
ALA A 128
GLU A 129
ARG A 147
 None
 0.83A 3g8bB-1xdzA:
32.5		 3g8bB-1xdzA:
36.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xxl YCGJ PROTEIN

(Bacillus
subtilis) 		PF08241
(Methyltransf_11) 		8 GLY A  20
GLY A  22
ASP A  41
ALA A  42
THR A  43
ALA A  69
GLU A  70
ARG A  85
 None
None
None
None
None
None
None
SO4  A 402 (-3.3A)
 0.68A 3g8bB-1xxlA:
15.3		 3g8bB-1xxlA:
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.
1y56 SARCOSINE OXIDASE

(Pyrococcus
horikoshii) 		PF01266
(DAO) 		5 GLY B  13
GLY B  40
ALA B 156
THR B 153
ALA B  21
 None
 1.04A 3g8bB-1y56B:
undetectable		 3g8bB-1y56B:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ylo HYPOTHETICAL PROTEIN
SF2450

(Shigella
flexneri) 		PF05343
(Peptidase_M42) 		6 GLY A  43
GLY A  41
ASP A  40
ALA A 208
THR A 207
ALA A 194
 None
 1.13A 3g8bB-1yloA:
undetectable		 3g8bB-1yloA:
23.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yoa PUTATIVE
FLAVOPROTEIN

(Thermus
thermophilus) 		PF01613
(Flavin_Reduct) 		5 GLY A  31
PHE A  83
ALA A  22
THR A  21
ALA A  58
 FAD  A 401 (-3.5A)
FAD  A 401 (-3.6A)
None
None
FAD  A 401 ( 3.7A)
 0.94A 3g8bB-1yoaA:
undetectable		 3g8bB-1yoaA:
24.50
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.
1z0k GTP-BINDING PROTEIN

(Homo sapiens) 		PF00071
(Ras) 		5 GLY A  15
GLY A  66
THR A  74
ALA A  84
ALA A  98
 None
GTP  A1200 (-3.5A)
None
None
None
 1.08A 3g8bB-1z0kA:
undetectable		 3g8bB-1z0kA:
24.89
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.
2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN

(Thermotoga
maritima) 		PF08241
(Methyltransf_11) 		5 GLY A  50
GLY A  52
ASP A  71
ALA A  93
GLU A  94
 SAI  A1300 (-3.5A)
SAI  A1300 (-3.5A)
SAI  A1300 (-2.9A)
SAI  A1300 (-3.5A)
SAI  A1300 (-3.0A)
 0.41A 3g8bB-2avnA:
9.8		 3g8bB-2avnA:
25.09
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.
2c3o PYRUVATE-FERREDOXIN
OXIDOREDUCTASE

(Desulfovibrio
africanus) 		PF01558
(POR)
PF01855
(POR_N)
PF02775
(TPP_enzyme_C)
PF10371
(EKR)
PF13484
(Fer4_16)
PF17147
(PFOR_II) 		5 GLY A1094
ALA A1090
THR A1089
GLU A 992
ALA A1153
 None
 1.09A 3g8bB-2c3oA:
undetectable		 3g8bB-2c3oA:
12.41
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.
2fja ADENYLYLSULFATE
REDUCTASE, SUBUNIT A

(Archaeoglobus
fulgidus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 GLY A 456
GLY A  36
PHE A  32
ALA A 462
ALA A 213
 None
 1.03A 3g8bB-2fjaA:
undetectable		 3g8bB-2fjaA:
19.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gqd 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Staphylococcus
aureus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 190
GLY A 168
ALA A 236
ALA A  83
ALA A 160
 None
 0.95A 3g8bB-2gqdA:
undetectable		 3g8bB-2gqdA:
22.84
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.
2hqm GLUTATHIONE
REDUCTASE

(Saccharomyces
cerevisiae) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  31
GLY A  58
THR A  60
ARG A  40
ALA A  37
 FAD  A1001 ( 4.8A)
None
FAD  A1001 (-3.5A)
PO4  A5001 (-3.6A)
PO4  A5001 (-3.3A)
 1.08A 3g8bB-2hqmA:
undetectable		 3g8bB-2hqmA:
19.83
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.
2ijd PICORNAIN 3C,
RNA-DIRECTED RNA
POLYMERASE

(Enterovirus C) 		PF00548
(Peptidase_C3)
PF00680
(RdRP_1) 		5 GLY 1 354
THR 1 349
ARG 1 346
ALA 1 224
GLU 1 344
 None
None
SO4  1 647 ( 3.8A)
None
None
 1.03A 3g8bB-2ijd1:
undetectable		 3g8bB-2ijd1:
17.12
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.
2iwz 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE

(Homo sapiens) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 234
GLY A 212
ALA A 280
ALA A 126
ALA A 204
 None
 1.05A 3g8bB-2iwzA:
undetectable		 3g8bB-2iwzA:
22.99
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.
2j4d CRYPTOCHROME DASH

(Arabidopsis
thaliana) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		5 GLY A 461
PHE A 466
ASP A 458
ALA A 454
ARG A 472
 None
 1.03A 3g8bB-2j4dA:
undetectable		 3g8bB-2j4dA:
19.96
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.
2wzs PUTATIVE
ALPHA-1,2-MANNOSIDAS
E

(Bacteroides
thetaiotaomicron) 		PF07971
(Glyco_hydro_92) 		5 GLY A 534
PHE A 574
ALA A 462
GLU A 466
ALA A 598
 None
 0.96A 3g8bB-2wzsA:
undetectable		 3g8bB-2wzsA:
14.56
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.
2xij METHYLMALONYL-COA
MUTASE,
MITOCHONDRIAL

(Homo sapiens) 		PF01642
(MM_CoA_mutase)
PF02310
(B12-binding) 		5 GLY A 158
GLY A 161
ASP A 139
ALA A 141
THR A 142
 None
 1.01A 3g8bB-2xijA:
undetectable		 3g8bB-2xijA:
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.
2yms OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMB
OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMB

(Escherichia
coli;
Escherichia
coli) 		PF13360
(PQQ_2)
PF13360
(PQQ_2) 		5 GLY A  89
ASP A  88
ARG D 295
ALA D 307
ALA A  83
 None
 1.09A 3g8bB-2ymsA:
undetectable		 3g8bB-2ymsA:
21.03
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.
2yr0 HYPOTHETICAL PROTEIN
TTHA0223

(Thermus
thermophilus) 		PF08241
(Methyltransf_11) 		6 GLY A  47
GLY A  49
ASP A  68
ALA A  69
ALA A  95
ARG A  52
 None
 1.37A 3g8bB-2yr0A:
13.3		 3g8bB-2yr0A:
25.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3afg SUBTILISIN-LIKE
SERINE PROTEASE

(Thermococcus
kodakarensis) 		PF00082
(Peptidase_S8)
PF04151
(PPC) 		5 GLY A 181
GLY A 149
LYS A 212
ALA A 359
ALA A 339
 None
 0.91A 3g8bB-3afgA:
undetectable		 3g8bB-3afgA:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ccf CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE

(Trichormus
variabilis) 		PF08241
(Methyltransf_11) 		5 GLY A  46
GLY A  48
ASP A  67
ALA A  90
ALA A 106
 None
None
None
None
BEZ  A 261 ( 4.7A)
 0.58A 3g8bB-3ccfA:
12.9		 3g8bB-3ccfA:
24.84
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.
3cgh SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF12741
(SusD-like) 		5 ASP A 420
ALA A 422
THR A 424
ARG A 332
ALA A  79
 None
 1.07A 3g8bB-3cghA:
undetectable		 3g8bB-3cghA:
18.43
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.
3cr8 SULFATE
ADENYLYLTRANSFERASE,
ADENYLYLSULFATE
KINASE

(Thiobacillus
denitrificans) 		PF01583
(APS_kinase)
PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		5 GLY A 376
GLY A 379
ALA A 476
THR A 477
ALA A 448
 None
 0.82A 3g8bB-3cr8A:
undetectable		 3g8bB-3cr8A:
21.01
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.
3cty THIOREDOXIN
REDUCTASE

(Thermoplasma
acidophilum) 		PF07992
(Pyr_redox_2) 		5 GLY A  25
GLY A  23
ALA A  50
ALA A  75
ALA A  31
 FAD  A1000 (-3.6A)
FAD  A1000 (-2.9A)
None
None
None
 1.01A 3g8bB-3ctyA:
undetectable		 3g8bB-3ctyA:
19.81
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.
3cwu DNA-3-METHYLADENINE
GLYCOSYLASE 2

(Escherichia
coli) 		PF00730
(HhH-GPD)
PF06029
(AlkA_N) 		5 GLY A 117
ALA A 220
THR A 219
ALA A 205
ALA A 189
 None
 1.05A 3g8bB-3cwuA:
undetectable		 3g8bB-3cwuA:
25.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3g8a RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G

(Thermus
thermophilus) 		PF02527
(GidB) 		12 GLY A  88
GLY A  90
PHE A  93
ASP A 111
ALA A 112
THR A 113
LYS A 116
ARG A 138
ALA A 139
GLU A 140
ARG A 158
ALA A 159
 SAH  A 303 (-3.0A)
SAH  A 303 (-3.5A)
None
SAH  A 303 (-2.9A)
SAH  A 303 (-3.6A)
SAH  A 303 (-4.2A)
SAH  A 303 (-3.6A)
SAH  A 303 (-3.7A)
SAH  A 303 (-3.8A)
SAH  A 303 (-3.4A)
SAH  A 303 (-3.9A)
SAH  A 303 (-3.9A)
 0.44A 3g8bB-3g8aA:
40.3		 3g8bB-3g8aA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3g8a RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G

(Thermus
thermophilus) 		PF02527
(GidB) 		6 GLY A  90
ASP A 111
ALA A 112
THR A 113
ARG A 138
ALA A 157
 SAH  A 303 (-3.5A)
SAH  A 303 (-2.9A)
SAH  A 303 (-3.6A)
SAH  A 303 (-4.2A)
SAH  A 303 (-3.7A)
None
 1.32A 3g8bB-3g8aA:
40.3		 3g8bB-3g8aA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3g8a RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G

(Thermus
thermophilus) 		PF02527
(GidB) 		6 GLY A  90
PHE A  93
ASP A 111
THR A 113
LYS A 116
GLU A 244
 SAH  A 303 (-3.5A)
None
SAH  A 303 (-2.9A)
SAH  A 303 (-4.2A)
SAH  A 303 (-3.6A)
None
 1.22A 3g8bB-3g8aA:
40.3		 3g8bB-3g8aA:
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.
3gg4 GLYCEROL KINASE

(Yersinia
pseudotuberculosis) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 GLY A  77
ALA A 173
THR A 170
ALA A 238
ALA A 489
 None
 1.05A 3g8bB-3gg4A:
undetectable		 3g8bB-3gg4A:
17.35
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.
3gu3 METHYLTRANSFERASE

(Bacillus cereus) 		PF13847
(Methyltransf_31) 		5 GLY A  47
GLY A  49
ASP A  71
ALA A  98
ALA A 114
 SAH  A 401 (-3.8A)
SAH  A 401 (-3.3A)
SAH  A 401 (-2.7A)
SAH  A 401 (-3.3A)
SAH  A 401 (-4.4A)
 0.67A 3g8bB-3gu3A:
13.3		 3g8bB-3gu3A:
23.84
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.
3gyr PHENOXAZINONE
SYNTHASE

(Streptomyces
antibioticus) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 GLY A 386
GLY A 398
ASP A 395
ALA A 389
ALA A 391
 None
 1.07A 3g8bB-3gyrA:
undetectable		 3g8bB-3gyrA:
17.92
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.
3hol TBPB

(Actinobacillus
pleuropneumoniae) 		PF01298
(TbpB_B_D)
PF17483
(TbpB_C)
PF17484
(TbpB_A) 		5 GLY A 361
ASP A 402
ALA A 415
THR A 414
ALA A 348
 None
 1.07A 3g8bB-3holA:
undetectable		 3g8bB-3holA:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iml S-ADENOSYLMETHIONINE
SYNTHETASE

(Burkholderia
pseudomallei) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		5 GLY A  15
GLY A 238
ASP A 167
ALA A 168
ALA A 153
 None
 1.05A 3g8bB-3imlA:
undetectable		 3g8bB-3imlA:
19.35
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.
3iru PHOSHONOACETALDEHYDE
HYDROLASE LIKE
PROTEIN

(Oleispira
antarctica) 		PF13419
(HAD_2) 		5 GLY A 214
GLY A  21
ASP A 192
THR A 193
ALA A 239
 None
 1.03A 3g8bB-3iruA:
undetectable		 3g8bB-3iruA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mq2 16S RRNA
METHYLTRANSFERASE

(Streptoalloteichus
tenebrarius) 		PF02390
(Methyltransf_4) 		6 GLY A  32
GLY A  34
ASP A  55
ALA A  56
ALA A  87
GLU A  88
 SAH  A 216 (-3.5A)
SAH  A 216 (-3.4A)
SAH  A 216 (-2.9A)
SAH  A 216 (-3.8A)
SAH  A 216 (-3.5A)
SAH  A 216 (-2.9A)
 0.54A 3g8bB-3mq2A:
11.2		 3g8bB-3mq2A:
25.36
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.
3o4v MTA/SAH NUCLEOSIDASE

(Escherichia
coli) 		PF01048
(PNP_UDP_1) 		5 GLY A  51
THR A 176
ALA A   8
GLU A  12
ALA A 150
 None
None
4CT  A 233 ( 3.7A)
4CT  A 233 ( 4.0A)
GOL  A 235 (-4.0A)
 1.07A 3g8bB-3o4vA:
undetectable		 3g8bB-3o4vA:
24.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o8o 6-PHOSPHOFRUCTOKINAS
E SUBUNIT BETA

(Saccharomyces
cerevisiae) 		PF00365
(PFK) 		5 GLY B 205
GLY B 300
ALA B 269
GLU B 234
ALA B 208
 None
 1.07A 3g8bB-3o8oB:
undetectable		 3g8bB-3o8oB:
16.34
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.
3oit OS07G0271500 PROTEIN

(Oryza sativa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 GLY A 352
GLY A 173
ALA A 201
ALA A 230
ALA A 179
 None
 1.08A 3g8bB-3oitA:
undetectable		 3g8bB-3oitA:
23.54
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.
3q6t 43.2 KDA SALIVARY
PROTEIN

(Lutzomyia
longipalpis) 		PF03022
(MRJP) 		5 GLY A 155
PHE A 178
ALA A 158
ALA A 238
ALA A 182
 None
 1.07A 3g8bB-3q6tA:
undetectable		 3g8bB-3q6tA:
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.
3r0q PROBABLE PROTEIN
ARGININE
N-METHYLTRANSFERASE
4.2

(Arabidopsis
thaliana) 		no annotation 5 GLY C  78
GLY C  80
ALA C 101
THR C 102
GLU C 129
 SAH  C   1 (-3.0A)
SAH  C   1 ( 3.7A)
SAH  C   1 (-3.4A)
SAH  C   1 (-4.5A)
SAH  C   1 (-3.4A)
 0.47A 3g8bB-3r0qC:
8.3		 3g8bB-3r0qC:
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.
3sm3 SAM-DEPENDENT
METHYLTRANSFERASES

(Methanosarcina
mazei) 		PF08241
(Methyltransf_11) 		5 GLY A  38
GLY A  40
ASP A  59
ALA A  92
ALA A 109
 None
 0.54A 3g8bB-3sm3A:
13.8		 3g8bB-3sm3A:
23.21
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.
3txa CELL WALL SURFACE
ANCHOR FAMILY
PROTEIN

(Streptococcus
agalactiae) 		PF00092
(VWA) 		5 GLY A 385
ASP A 384
ALA A 245
GLU A 338
ALA A 353
 MG  A 801 ( 4.8A)
MG  A 801 (-2.7A)
None
None
None
 1.07A 3g8bB-3txaA:
undetectable		 3g8bB-3txaA:
16.76
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.
3u1t DMMA HALOALKANE
DEHALOGENASE

(unidentified) 		PF00561
(Abhydrolase_1) 		5 GLY A 108
ASP A 103
ALA A  62
ALA A 111
ALA A 234
 None
 1.06A 3g8bB-3u1tA:
undetectable		 3g8bB-3u1tA:
25.08
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.
3vwc SERINE PROTEASE
INHIBITOR 1

(Coprinopsis
cinerea) 		PF16850
(Inhibitor_I66) 		5 GLY A  78
ASP A  75
ALA A  74
ARG A  21
GLU A  25
 None
 0.91A 3g8bB-3vwcA:
undetectable		 3g8bB-3vwcA:
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.
3w4r CHITINASE

(Ostrinia
furnacalis) 		PF00704
(Glyco_hydro_18) 		5 GLY A 298
GLY A 296
ALA A 306
ALA A 301
GLU A 314
 None
 0.98A 3g8bB-3w4rA:
undetectable		 3g8bB-3w4rA:
19.13
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.
3wl1 CHITINASE

(Ostrinia
furnacalis) 		PF00704
(Glyco_hydro_18) 		5 GLY A 298
GLY A 296
ALA A 306
ALA A 301
GLU A 314
 None
None
NAG  A 503 ( 4.5A)
None
None
 0.96A 3g8bB-3wl1A:
undetectable		 3g8bB-3wl1A:
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.
4bev COPPER EFFLUX ATPASE

(Legionella
pneumophila) 		PF00122
(E1-E2_ATPase)
PF00702
(Hydrolase) 		5 GLY A 638
GLY A 653
THR A 655
ARG A 329
ALA A 633
 None
 1.08A 3g8bB-4bevA:
undetectable		 3g8bB-4bevA:
17.68
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.
4cxk ARYLSULFATASE

(Pseudomonas
aeruginosa) 		PF00884
(Sulfatase) 		5 GLY A 437
ASP A 409
ALA A 405
THR A 406
ALA A 450
 None
 1.09A 3g8bB-4cxkA:
undetectable		 3g8bB-4cxkA:
22.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dcm RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE G

(Escherichia
coli) 		PF05175
(MTS) 		5 GLY A 236
GLY A 238
ASP A 259
ALA A 290
GLU A 321
 SAM  A 401 (-3.5A)
SAM  A 401 ( 3.7A)
SAM  A 401 (-2.9A)
SAM  A 401 (-4.2A)
SAM  A 401 ( 4.9A)
 0.77A 3g8bB-4dcmA:
13.4		 3g8bB-4dcmA:
23.75
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.
4e2z TCAB9

(Micromonospora
chalcea) 		PF08421
(Methyltransf_13)
PF08484
(Methyltransf_14)
PF13489
(Methyltransf_23) 		5 GLY A 324
ASP A 348
THR A 350
LYS A 353
GLU A 389
 JHZ  A 504 (-3.6A)
JHZ  A 504 (-2.7A)
JHZ  A 504 (-4.2A)
JHZ  A 504 (-2.9A)
JHZ  A 504 (-3.6A)
 1.02A 3g8bB-4e2zA:
9.9		 3g8bB-4e2zA:
22.54
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.
4eay MANNONATE
DEHYDRATASE

(Escherichia
coli) 		PF03786
(UxuA) 		5 GLY A 353
GLY A 367
ALA A 125
ALA A 315
ALA A 370
 None
 1.06A 3g8bB-4eayA:
undetectable		 3g8bB-4eayA:
24.58
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.
4hg2 METHYLTRANSFERASE
TYPE 11

(Anaeromyxobacter
dehalogenans) 		PF08241
(Methyltransf_11) 		5 GLY A  44
GLY A  46
ASP A  65
GLU A  88
ALA A 103
 None
 1.01A 3g8bB-4hg2A:
9.6		 3g8bB-4hg2A:
25.81
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.
4htf S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		5 GLY B  52
GLY B  54
ASP B  73
ALA B 101
ALA B 120
 SAM  B 301 (-3.5A)
SAM  B 301 (-3.4A)
SAM  B 301 (-3.1A)
SAM  B 301 (-4.2A)
SAM  B 301 (-4.0A)
 0.93A 3g8bB-4htfB:
12.3		 3g8bB-4htfB:
23.15
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.
4htf S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		5 GLY B  52
GLY B  54
ASP B  73
ALA B 102
ALA B 120
 SAM  B 301 (-3.5A)
SAM  B 301 (-3.4A)
SAM  B 301 (-3.1A)
SAM  B 301 (-3.7A)
SAM  B 301 (-4.0A)
 0.69A 3g8bB-4htfB:
12.3		 3g8bB-4htfB:
23.15
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.
4jhp X-LINKED RETINITIS
PIGMENTOSA GTPASE
REGULATOR

(Homo sapiens) 		PF00415
(RCC1) 		5 GLY C  43
GLY C 358
ALA C 355
ALA C  48
ARG C  96
 None
 1.01A 3g8bB-4jhpC:
undetectable		 3g8bB-4jhpC:
23.04
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.
4m46 LUCIFERASE

(Lampyris
turkestanicus) 		PF00501
(AMP-binding) 		5 GLY A 316
GLY A 341
ARG A 337
ALA A 313
GLU A 311
 None
 0.88A 3g8bB-4m46A:
undetectable		 3g8bB-4m46A:
19.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ox9 16S RRNA
(ADENINE(1408)-N(1))
-METHYLTRANSFERASE

(Escherichia
coli) 		PF02390
(Methyltransf_4) 		5 GLY Y  32
GLY Y  34
ASP Y  55
ALA Y  87
GLU Y  88
 SFG  Y 301 (-3.9A)
SFG  Y 301 (-3.1A)
SFG  Y 301 (-2.8A)
SFG  Y 301 (-4.0A)
SFG  Y 301 (-3.6A)
 0.73A 3g8bB-4ox9Y:
11.6		 3g8bB-4ox9Y:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q65 DIPEPTIDE PERMEASE D

(Escherichia
coli) 		PF00854
(PTR2) 		5 GLY A 288
PHE A 313
ALA A 284
ALA A 430
ALA A  30
 None
 0.86A 3g8bB-4q65A:
undetectable		 3g8bB-4q65A:
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.
4qnx TRNA
(MO5U34)-METHYLTRANS
FERASE

(Escherichia
coli) 		PF08003
(Methyltransf_9) 		5 GLY A 130
GLY A 132
ASP A 152
THR A 154
GLU A 182
 None
None
None
None
SO4  A 404 (-4.7A)
 0.84A 3g8bB-4qnxA:
11.6		 3g8bB-4qnxA:
23.49
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.
4u90 GEPHYRIN

(Rattus
norvegicus) 		PF00994
(MoCF_biosynth)
PF03453
(MoeA_N)
PF03454
(MoeA_C) 		5 GLY A 406
PHE A 388
ASP A 382
ALA A 381
ALA A 423
 None
None
BU1  A 801 ( 4.6A)
None
None
 1.08A 3g8bB-4u90A:
undetectable		 3g8bB-4u90A:
23.04
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.
4u90 GEPHYRIN

(Rattus
norvegicus) 		PF00994
(MoCF_biosynth)
PF03453
(MoeA_N)
PF03454
(MoeA_C) 		5 GLY A 406
PHE A 388
ASP A 382
ALA A 381
ALA A 451
 None
None
BU1  A 801 ( 4.6A)
None
BU1  A 801 ( 3.2A)
 0.88A 3g8bB-4u90A:
undetectable		 3g8bB-4u90A:
23.04
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.
4umv ZINC-TRANSPORTING
ATPASE

(Shigella sonnei) 		PF00122
(E1-E2_ATPase)
PF00702
(Hydrolase) 		5 GLY A 627
GLY A 629
ASP A 628
THR A 438
ALA A 635
 None
MG  A1731 (-4.1A)
MG  A1731 ( 1.1A)
BEF  A1732 ( 3.7A)
None
 1.00A 3g8bB-4umvA:
undetectable		 3g8bB-4umvA:
20.96
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.
4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE

(Mycobacterium
tuberculosis) 		PF00202
(Aminotran_3) 		5 GLY A 282
GLY A 124
ALA A 294
THR A 295
ALA A 257
 None
PLP  A 501 (-3.2A)
None
None
PLP  A 501 (-3.2A)
 1.06A 3g8bB-4w1wA:
undetectable		 3g8bB-4w1wA:
22.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wbt PROBABLE
HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE

(Sinorhizobium
meliloti) 		PF00155
(Aminotran_1_2) 		5 GLY A  93
GLY A  91
ALA A 221
THR A 238
ALA A 196
 PLP  A 401 (-3.2A)
None
None
None
PLP  A 401 (-3.6A)
 1.03A 3g8bB-4wbtA:
undetectable		 3g8bB-4wbtA:
23.87
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.
4wh3 N-ACETYLHEXOSAMINE
1-KINASE

(Bifidobacterium
longum) 		PF01636
(APH) 		5 GLY A 124
GLY A 128
PHE A 130
ALA A 271
ALA A 223
 None
None
None
None
GOL  A 407 (-3.2A)
 0.92A 3g8bB-4wh3A:
undetectable		 3g8bB-4wh3A:
21.56
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.
5dly PLANTAZOLICIN
METHYLTRANSFERASE
BAML

(Bacillus
velezensis) 		PF13847
(Methyltransf_31) 		5 GLY A  68
GLY A  70
ASP A  91
ALA A 114
ARG A  42
 SAH  A 301 (-3.6A)
SAH  A 301 ( 3.7A)
SAH  A 301 (-2.8A)
SAH  A 301 (-3.5A)
None
 1.09A 3g8bB-5dlyA:
11.0		 3g8bB-5dlyA:
19.80
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.
5e4y HOMOSERINE
O-ACETYLTRANSFERASE

(Pseudomonas
veronii) 		PF00561
(Abhydrolase_1) 		5 PHE A 155
ALA A 142
ALA A 166
GLU A 304
ALA A 283
 None
 1.04A 3g8bB-5e4yA:
undetectable		 3g8bB-5e4yA:
21.76
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.
5evj ARSENITE
METHYLTRANSFERASE

(Chlamydomonas
reinhardtii) 		PF13847
(Methyltransf_31) 		5 GLY A  91
GLY A  93
ASP A 115
THR A 117
GLU A 151
 None
 0.45A 3g8bB-5evjA:
10.9		 3g8bB-5evjA:
22.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5exe OXALATE
OXIDOREDUCTASE
SUBUNIT DELTA

(Moorella
thermoacetica) 		PF00037
(Fer4)
PF01558
(POR) 		5 GLY B 172
ALA B 177
THR B 178
ALA B 203
ALA B 167
 None
 0.99A 3g8bB-5exeB:
undetectable		 3g8bB-5exeB:
22.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fub PROTEIN ARGININE
METHYLTRANSFERASE 2

(Danio rerio) 		PF13649
(Methyltransf_25) 		6 GLY A 123
GLY A 125
ALA A 147
ALA A 174
GLU A 175
ARG A  99
 SAH  A 409 (-3.0A)
SAH  A 409 ( 3.7A)
SAH  A 409 (-3.5A)
SAH  A 409 (-3.9A)
SAH  A 409 (-3.1A)
SAH  A 409 (-2.7A)
 0.86A 3g8bB-5fubA:
9.0		 3g8bB-5fubA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ful PROTEIN ARGININE
N-METHYLTRANSFERASE
2

(Mus musculus) 		PF05175
(MTS) 		5 GLY A 157
GLY A 159
ALA A 181
GLU A 209
ARG A 133
 SAH  A1446 (-3.1A)
SAH  A1446 ( 3.9A)
SAH  A1446 (-3.7A)
SAH  A1446 (-3.1A)
SAH  A1446 (-2.7A)
 0.98A 3g8bB-5fulA:
7.2		 3g8bB-5fulA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h05 AMYP

(marine
metagenome) 		PF00128
(Alpha-amylase) 		6 GLY A 308
GLY A 264
ALA A 259
ARG A 321
ALA A 311
GLU A 317
 None
 1.27A 3g8bB-5h05A:
undetectable		 3g8bB-5h05A:
16.74
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.
5h0i ASPARAGINYL
ENDOPEPTIDASE

(Oldenlandia
affinis) 		PF01650
(Peptidase_C13) 		6 GLY A 182
GLY A  64
ASP A 174
ALA A 216
ALA A 177
ALA A 138
 None
 1.35A 3g8bB-5h0iA:
undetectable		 3g8bB-5h0iA:
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.
5h8k N-CARBAMOYLPUTRESCIN
E AMIDOHYDROLASE

(Medicago
truncatula) 		PF00795
(CN_hydrolase) 		6 GLY A 238
ALA A 183
THR A 182
ARG A 219
GLU A 223
ALA A 259
 None
 1.44A 3g8bB-5h8kA:
undetectable		 3g8bB-5h8kA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jen ANTI-SIGMA-V FACTOR
RSIV
LYSOZYME C

(Bacillus
subtilis;
Gallus gallus) 		PF11738
(DUF3298)
PF13739
(DUF4163)
PF00062
(Lys) 		5 GLY A 260
GLY A 263
THR A 171
ALA B 110
ALA B  42
 NA  A 401 ( 4.7A)
None
None
None
None
 1.09A 3g8bB-5jenA:
undetectable		 3g8bB-5jenA:
18.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k3w CPUTA1

(Curtobacterium
pusillum) 		PF01063
(Aminotran_4) 		6 GLY A 172
GLY A 229
ALA A 232
THR A 226
ARG A  75
GLU A  57
 None
None
None
None
PLP  A 401 (-2.6A)
None
 1.39A 3g8bB-5k3wA:
undetectable		 3g8bB-5k3wA:
24.01
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.
5n4c PROLYL
OLIGOPEPTIDASE

(Galerina
marginata) 		no annotation 6 GLY A 529
GLY A 497
PHE A 553
ALA A 500
THR A 501
GLU A 535
 None
 1.24A 3g8bB-5n4cA:
undetectable		 3g8bB-5n4cA:
16.72
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.
5t67 SUGAR 3-C-METHYL
TRANSFERASE

(Actinomadura
kijaniata) 		PF08421
(Methyltransf_13)
PF08484
(Methyltransf_14)
PF13489
(Methyltransf_23) 		5 GLY A 324
ASP A 348
THR A 350
LYS A 353
GLU A 389
 JHZ  A 503 (-3.6A)
JHZ  A 503 (-2.6A)
JHZ  A 503 (-4.1A)
JHZ  A 503 (-2.9A)
JHZ  A 503 ( 3.8A)
 0.89A 3g8bB-5t67A:
9.4		 3g8bB-5t67A:
22.54
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.
5thz CURJ

(Moorea
producens) 		no annotation 5 GLY B 205
GLY B 207
ASP B 230
GLU B 257
ALA B 276
 SAH  B 501 (-3.5A)
SAH  B 501 (-3.3A)
SAH  B 501 (-2.7A)
SAH  B 501 ( 4.5A)
SAH  B 501 (-3.6A)
 1.09A 3g8bB-5thzB:
12.3		 3g8bB-5thzB:
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.
5w15 ALPHA/BETA HYDROLASE
FOLD PROTEIN

(Burkholderia
ambifaria) 		PF12697
(Abhydrolase_6) 		6 GLY A  61
PHE A  34
ASP A  56
ALA A  16
ARG A   7
ALA A 177
 None
 1.31A 3g8bB-5w15A:
undetectable		 3g8bB-5w15A:
28.81
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.
5x09 V-TYPE ATP SYNTHASE
ALPHA CHAIN,V-TYPE
ATP SYNTHASE ALPHA
CHAIN

(Pyrococcus
horikoshii) 		no annotation 5 GLY A 557
ASP A 501
ARG A 499
ALA A 495
GLU A 469
 None
 0.96A 3g8bB-5x09A:
undetectable		 3g8bB-5x09A:
19.89
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.
5x6a ENDOGLUCANASE,
PUTATIVE

(Aspergillus
fumigatus) 		no annotation 5 GLY A 193
GLY A 191
ALA A  95
ALA A 195
ALA A 225
 None
 1.04A 3g8bB-5x6aA:
undetectable		 3g8bB-5x6aA:
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.
5xqo PCRGLX PROTEIN

(Penicillium
chrysogenum) 		no annotation 5 GLY A 718
GLY A 714
ALA A 733
GLU A 732
ARG A 655
 None
 1.05A 3g8bB-5xqoA:
undetectable		 3g8bB-5xqoA:
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.
6b0t FASCIN

(Homo sapiens) 		no annotation 5 GLY A 228
ALA A 245
THR A 246
ALA A 232
ARG A 185
 None
 1.05A 3g8bB-6b0tA:
undetectable		 3g8bB-6b0tA:
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.
6cu5 PROTEIN ARGININE
N-METHYLTRANSFERASE

(Naegleria
fowleri) 		no annotation 5 GLY A  51
GLY A  53
ASP A  73
GLU A 102
ARG A  27
 SAH  A 401 (-3.1A)
SAH  A 401 ( 4.0A)
SAH  A 401 (-2.9A)
SAH  A 401 (-3.6A)
SAH  A 401 (-2.4A)
 0.93A 3g8bB-6cu5A:
8.0		 3g8bB-6cu5A:
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.
6d2l HISTONE-ARGININE
METHYLTRANSFERASE
CARM1

(Homo sapiens) 		no annotation 5 GLY A 192
GLY A 194
ALA A 215
GLU A 243
ARG A 168
 FTG  A 501 (-3.2A)
FTG  A 501 ( 3.9A)
FTG  A 501 (-3.4A)
FTG  A 501 (-3.2A)
FTG  A 501 (-3.3A)
 0.84A 3g8bB-6d2lA:
9.2		 3g8bB-6d2lA:
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.
6gup -

(-) 		no annotation 6 GLY A  45
GLY A  43
ASP A  46
ALA A  49
THR A  50
ARG A 232
 None
 1.27A 3g8bB-6gupA:
undetectable		 3g8bB-6gupA:
undetectable