SIMILAR PATTERNS OF AMINO ACIDS FOR 3G88_A_SAMA303_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
 1.03A 3g88A-1b3nA:
0.0		 3g88A-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.
1e1c METHYLMALONYL-COA
MUTASE ALPHA CHAIN

(Propionibacterium
freudenreichii) 		PF01642
(MM_CoA_mutase)
PF02310
(B12-binding) 		5 GLY A 137
GLY A 140
ASP A 118
THR A 121
ALA A 133
 None
B12  A 800 ( 4.3A)
None
None
None
 1.00A 3g88A-1e1cA:
0.0		 3g88A-1e1cA:
17.03
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.
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
 1.15A 3g88A-1gz0A:
2.2		 3g88A-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.
1j33 COBT

(Thermus
thermophilus) 		PF02277
(DBI_PRT) 		5 GLY A 303
GLY A 251
PHE A 252
ASP A 250
ALA A 301
 None
 1.08A 3g88A-1j33A:
1.7		 3g88A-1j33A:
27.22
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.
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
 1.09A 3g88A-1ko6A:
0.9		 3g88A-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.
1lua METHYLENE
TETRAHYDROMETHANOPTE
RIN DEHYDROGENASE

(Methylobacterium
extorquens) 		PF09176
(Mpt_N) 		5 GLY A 228
ASP A 220
ALA A 249
ARG A 183
ALA A 127
 None
None
None
NAP  A 456 ( 4.7A)
NAP  A 456 (-3.6A)
 1.09A 3g88A-1luaA:
6.8		 3g88A-1luaA:
22.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.10A 3g88A-1m5sA:
0.0		 3g88A-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.
1n3p LECTIN PAL

(Pterocarpus
angolensis) 		PF00139
(Lectin_legB) 		5 GLY A 105
PHE A 111
ASP A  86
ALA A  85
ALA A  44
 GLC  A 253 ( 3.8A)
None
GLC  A 253 (-2.7A)
GLC  A 253 ( 3.7A)
None
 1.11A 3g88A-1n3pA:
0.0		 3g88A-1n3pA:
16.73
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.
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
 0.99A 3g88A-1pznA:
undetectable		 3g88A-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.
1t70 PHOSPHATASE

(Deinococcus
radiodurans) 		PF13277
(YmdB) 		5 GLY A  11
GLY A  41
ALA A 230
GLU A 254
ALA A  49
 None
 1.06A 3g88A-1t70A:
undetectable		 3g88A-1t70A:
24.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1whs SERINE
CARBOXYPEPTIDASE II

(Triticum
aestivum) 		PF00450
(Peptidase_S10) 		5 GLY A  27
GLY A  25
ASP A  23
ARG A 114
ALA A  97
 NAG  A1133 (-3.3A)
None
None
None
None
 1.10A 3g88A-1whsA:
undetectable		 3g88A-1whsA:
21.30
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
 0.83A 3g88A-1xdzA:
31.6		 3g88A-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) 		6 GLY A  79
PHE A  82
ARG A 127
ALA A 128
GLU A 129
ARG A 147
 None
 0.83A 3g88A-1xdzA:
31.6		 3g88A-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) 		6 GLY A  79
PHE A  82
ASP A 100
ALA A 128
GLU A 129
ARG A 147
 None
 0.66A 3g88A-1xdzA:
31.6		 3g88A-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)
 0.72A 3g88A-1xxlA:
16.2		 3g88A-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
 1.01A 3g88A-1y56B:
undetectable		 3g88A-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 3g88A-1yloA:
undetectable		 3g88A-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)
 0.91A 3g88A-1yoaA:
undetectable		 3g88A-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
 1.10A 3g88A-1z0kA:
2.1		 3g88A-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)
 0.36A 3g88A-2avnA:
11.6		 3g88A-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.
2dwu GLUTAMATE RACEMASE

(Bacillus
anthracis) 		PF01177
(Asp_Glu_race) 		5 GLY A  18
GLY A  16
ASP A  14
ALA A  76
ALA A 152
 None
None
DGL  A 278 (-3.6A)
None
DGL  A 278 ( 4.4A)
 1.10A 3g88A-2dwuA:
undetectable		 3g88A-2dwuA:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.02A 3g88A-2fjaA:
undetectable		 3g88A-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
 0.94A 3g88A-2gqdA:
undetectable		 3g88A-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)
 1.05A 3g88A-2hqmA:
3.5		 3g88A-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.
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 3g88A-2iwzA:
undetectable		 3g88A-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
 0.97A 3g88A-2j4dA:
undetectable		 3g88A-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.
2m9p SERINE PROTEASE
SUBUNIT NS2B, SERINE
PROTEASE NS3

(Dengue virus) 		PF00949
(Peptidase_S7)
PF01002
(Flavi_NS2B) 		5 GLY A  24
ARG A 168
ALA A 160
GLU A 162
ALA A 221
 None
 1.08A 3g88A-2m9pA:
undetectable		 3g88A-2m9pA:
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.
2p5u UDP-GLUCOSE
4-EPIMERASE

(Thermus
thermophilus) 		PF01370
(Epimerase) 		5 GLY A 171
GLY A 241
ARG A 215
ALA A 184
GLU A 183
 None
None
None
NAD  A1118 (-3.2A)
None
 1.09A 3g88A-2p5uA:
4.0		 3g88A-2p5uA:
26.28
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.
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
 0.98A 3g88A-2wzsA:
undetectable		 3g88A-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
 1.03A 3g88A-2xijA:
undetectable		 3g88A-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.
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 3g88A-2yr0A:
14.7		 3g88A-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.
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)
 0.63A 3g88A-3ccfA:
14.3		 3g88A-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
 1.08A 3g88A-3cghA:
undetectable		 3g88A-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
 0.87A 3g88A-3cr8A:
undetectable		 3g88A-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
 0.99A 3g88A-3ctyA:
3.6		 3g88A-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.
3g25 GLYCEROL KINASE

(Staphylococcus
aureus) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 GLY A 240
GLY A  77
ALA A 242
THR A  79
ALA A 218
 None
 1.03A 3g88A-3g25A:
undetectable		 3g88A-3g25A:
18.89
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) 		11 GLY A  88
GLY A  90
PHE A  93
ASP A 111
ALA A 112
THR A 113
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 (-3.7A)
SAH  A 303 (-3.8A)
SAH  A 303 (-3.4A)
SAH  A 303 (-3.9A)
SAH  A 303 (-3.9A)
 0.31A 3g88A-3g8aA:
36.8		 3g88A-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
 1.35A 3g88A-3g8aA:
36.8		 3g88A-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 3g88A-3gg4A:
undetectable		 3g88A-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.
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
 1.05A 3g88A-3gyrA:
undetectable		 3g88A-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
 1.02A 3g88A-3holA:
undetectable		 3g88A-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
 1.03A 3g88A-3imlA:
undetectable		 3g88A-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
 1.06A 3g88A-3iruA:
undetectable		 3g88A-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.
3kfu GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Thermus
thermophilus) 		PF01425
(Amidase) 		5 GLY E 115
GLY E 117
ASP E 112
THR E 120
ALA E  78
 None
 1.10A 3g88A-3kfuE:
undetectable		 3g88A-3kfuE:
24.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3loy COPPER AMINE OXIDASE

(Ogataea angusta) 		PF01179
(Cu_amine_oxid) 		5 GLY A 573
GLY A 571
ASP A 569
ALA A 539
ARG A 578
 None
 1.11A 3g88A-3loyA:
undetectable		 3g88A-3loyA:
17.52
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.
3lrv PRE-MRNA-SPLICING
FACTOR 19

(Saccharomyces
cerevisiae) 		no annotation 5 GLY A 485
ASP A 227
THR A 230
ALA A 500
GLU A 181
 None
 1.08A 3g88A-3lrvA:
undetectable		 3g88A-3lrvA:
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.
3lxd FAD-DEPENDENT
PYRIDINE
NUCLEOTIDE-DISULPHID
E OXIDOREDUCTASE

(Novosphingobium
aromaticivorans) 		PF07992
(Pyr_redox_2)
PF14759
(Reductase_C) 		5 GLY A 284
ALA A 114
THR A 115
ALA A 311
ALA A 288
 FAD  A 416 (-3.2A)
FAD  A 416 (-4.4A)
FAD  A 416 (-4.2A)
None
None
 1.08A 3g88A-3lxdA:
undetectable		 3g88A-3lxdA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.46A 3g88A-3mq2A:
12.8		 3g88A-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.
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
 1.10A 3g88A-3o8oB:
undetectable		 3g88A-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
 1.11A 3g88A-3oitA:
undetectable		 3g88A-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
 1.09A 3g88A-3q6tA:
undetectable		 3g88A-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)
 0.46A 3g88A-3r0qC:
8.6		 3g88A-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
 0.62A 3g88A-3sm3A:
15.7		 3g88A-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.
3u02 PUTATIVE
TRANSCRIPTION-ASSOCI
ATED PROTEIN TFIIS

(Pyrococcus
furiosus) 		PF08489
(DUF1743) 		5 GLY A 142
ASP A   8
ALA A  57
ALA A  59
ALA A 123
 None
 0.98A 3g88A-3u02A:
undetectable		 3g88A-3u02A:
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.
3u02 PUTATIVE
TRANSCRIPTION-ASSOCI
ATED PROTEIN TFIIS

(Pyrococcus
furiosus) 		PF08489
(DUF1743) 		5 GLY A 146
GLY A 142
ASP A   8
ALA A  59
ALA A 123
 None
 1.09A 3g88A-3u02A:
undetectable		 3g88A-3u02A:
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.
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
 1.04A 3g88A-3u1tA:
undetectable		 3g88A-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.
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
 0.99A 3g88A-3w4rA:
undetectable		 3g88A-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
 0.97A 3g88A-3wl1A:
undetectable		 3g88A-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.
4amm DYNE8

(Micromonospora
chersina) 		PF00698
(Acyl_transf_1) 		5 GLY A 864
PHE A 861
ARG A 573
ALA A 817
ALA A 642
 None
 1.10A 3g88A-4ammA:
undetectable		 3g88A-4ammA:
26.49
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.
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
 1.09A 3g88A-4bevA:
undetectable		 3g88A-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
 1.10A 3g88A-4cxkA:
undetectable		 3g88A-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)
 0.82A 3g88A-4dcmA:
14.2		 3g88A-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.
4eay MANNONATE
DEHYDRATASE

(Escherichia
coli) 		PF03786
(UxuA) 		5 GLY A 353
GLY A 367
ALA A 125
ALA A 315
ALA A 370
 None
 1.04A 3g88A-4eayA:
undetectable		 3g88A-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.
4eqy ACYL-[ACYL-CARRIER-P
ROTEIN]--UDP-N-ACETY
LGLUCOSAMINE
O-ACYLTRANSFERASE

(Burkholderia
thailandensis) 		PF00132
(Hexapep)
PF13720
(Acetyltransf_11) 		5 GLY A 243
GLY A 241
ASP A 244
ALA A 237
ALA A 249
 None
 1.11A 3g88A-4eqyA:
undetectable		 3g88A-4eqyA:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 3g88A-4hg2A:
10.6		 3g88A-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 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)
 0.75A 3g88A-4htfB:
13.4		 3g88A-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
 0.99A 3g88A-4jhpC:
undetectable		 3g88A-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
 0.95A 3g88A-4m46A:
3.2		 3g88A-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.
4o4x TBPB

(Glaesserella
parasuis) 		PF01298
(TbpB_B_D)
PF17483
(TbpB_C)
PF17484
(TbpB_A) 		5 GLY A 366
ASP A 408
ALA A 422
THR A 421
ALA A 353
 None
 1.03A 3g88A-4o4xA:
undetectable		 3g88A-4o4xA:
18.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.63A 3g88A-4ox9Y:
13.2		 3g88A-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.
4p8r GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE,
CYTOSOLIC

(Trypanosoma
brucei) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 GLY A 216
GLY A 224
ALA A 212
THR A 227
ALA A 156
 None
 1.11A 3g88A-4p8rA:
undetectable		 3g88A-4p8rA:
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.
4pk1 CHIMERA PROTEIN OF
OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTORS BAMA AND
BAMB

(Escherichia
coli) 		PF07244
(POTRA)
PF13360
(PQQ_2) 		5 GLY A1179
ASP A1178
ALA A1177
ALA A1133
ALA A1173
 None
 1.11A 3g88A-4pk1A:
undetectable		 3g88A-4pk1A:
16.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pyt UDP-N-ACETYLENOLPYRU
VOYLGLUCOSAMINE
REDUCTASE

(unidentified) 		PF01565
(FAD_binding_4)
PF02873
(MurB_C) 		5 GLY A 250
ASP A 272
ALA A 268
THR A 269
ALA A 265
 None
 1.00A 3g88A-4pytA:
undetectable		 3g88A-4pytA:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.88A 3g88A-4q65A:
undetectable		 3g88A-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)
 0.75A 3g88A-4qnxA:
11.1		 3g88A-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
 1.07A 3g88A-4u90A:
undetectable		 3g88A-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 3g88A-4u90A:
undetectable		 3g88A-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
 1.04A 3g88A-4umvA:
undetectable		 3g88A-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)
 1.09A 3g88A-4w1wA:
undetectable		 3g88A-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 3g88A-4wbtA:
2.7		 3g88A-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)
 0.96A 3g88A-4wh3A:
undetectable		 3g88A-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 3g88A-5dlyA:
11.6		 3g88A-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.
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
 0.41A 3g88A-5evjA:
11.2		 3g88A-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.
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)
 0.87A 3g88A-5fubA:
9.3		 3g88A-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 3g88A-5fulA:
7.4		 3g88A-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.
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
 1.34A 3g88A-5h0iA:
undetectable		 3g88A-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 3g88A-5h8kA:
undetectable		 3g88A-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.
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
 1.23A 3g88A-5n4cA:
undetectable		 3g88A-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.
5opq 3,6-ANHYDRO-D-GALACT
OSIDASE

(Zobellia
galactanivorans) 		no annotation 6 GLY A 591
GLY A 589
PHE A 588
THR A 622
ALA A 336
ALA A 582
 None
None
CL  A 704 ( 4.8A)
None
None
None
 1.38A 3g88A-5opqA:
undetectable		 3g88A-5opqA:
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.
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)
 1.08A 3g88A-5thzB:
13.4		 3g88A-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.
5ur0 GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Naegleria
gruberi) 		no annotation 5 GLY A 215
GLY A 223
ALA A 211
THR A 226
ALA A 155
 None
 1.10A 3g88A-5ur0A:
undetectable		 3g88A-5ur0A:
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.
5uuo GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN

(Novosphingobium
aromaticivorans) 		no annotation 5 GLY B 166
GLY B 164
ALA B 184
ALA B 232
ALA B 172
 EDO  B 313 (-3.5A)
None
None
None
None
 1.05A 3g88A-5uuoB:
undetectable		 3g88A-5uuoB:
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.
5w15 ALPHA/BETA HYDROLASE
FOLD PROTEIN

(Burkholderia
ambifaria) 		PF12697
(Abhydrolase_6) 		5 GLY A  61
PHE A  34
ASP A  56
ALA A  16
ARG A   7
 None
 1.04A 3g88A-5w15A:
2.0		 3g88A-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
 1.02A 3g88A-5x09A:
2.7		 3g88A-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
 1.03A 3g88A-5x6aA:
undetectable		 3g88A-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
 1.00A 3g88A-5xqoA:
undetectable		 3g88A-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
 1.08A 3g88A-6b0tA:
undetectable		 3g88A-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)
 0.98A 3g88A-6cu5A:
9.7		 3g88A-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)
 0.78A 3g88A-6d2lA:
9.1		 3g88A-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
 1.32A 3g88A-6gupA:
undetectable		 3g88A-6gupA:
undetectable