SIMILAR PATTERNS OF AMINO ACIDS FOR 3G89_A_SAMA303

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 3g89A-1b3nA:
0.0		 3g89A-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.
1cbf COBALT-PRECORRIN-4
TRANSMETHYLASE

(Bacillus
megaterium) 		PF00590
(TP_methylase) 		5 GLY A 102
GLY A  27
THR A  37
ALA A 135
ALA A 105
 SAH  A 300 (-3.5A)
None
None
None
None
 1.07A 3g89A-1cbfA:
undetectable		 3g89A-1cbfA:
25.41
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.
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
 0.99A 3g89A-1dabA:
0.0		 3g89A-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
 1.07A 3g89A-1dgjA:
0.0		 3g89A-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.
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
 1.19A 3g89A-1gz0A:
2.1		 3g89A-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.
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
 1.04A 3g89A-1ko6A:
1.0		 3g89A-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 3g89A-1luaA:
7.2		 3g89A-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
 1.04A 3g89A-1m5sA:
0.0		 3g89A-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.
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
 1.08A 3g89A-1ofuA:
3.9		 3g89A-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.
1ogy PERIPLASMIC NITRATE
REDUCTASE

(Rhodobacter
sphaeroides) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		6 PHE A 119
ASP A 483
ALA A 484
ARG A  69
ALA A 500
GLU A 504
 None
MGD  A1803 (-2.9A)
MGD  A1803 ( 4.2A)
None
None
None
 1.49A 3g89A-1ogyA:
3.2		 3g89A-1ogyA:
16.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 3g89A-1pznA:
undetectable		 3g89A-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
 1.05A 3g89A-1w07A:
undetectable		 3g89A-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
 0.82A 3g89A-1xdzA:
31.5		 3g89A-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
 0.93A 3g89A-1xdzA:
31.5		 3g89A-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
 0.71A 3g89A-1xdzA:
31.5		 3g89A-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)
 0.67A 3g89A-1xxlA:
16.2		 3g89A-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
 0.99A 3g89A-1y56B:
undetectable		 3g89A-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) 		5 GLY A  43
GLY A  41
ASP A  40
ALA A 208
ALA A 194
 None
 0.95A 3g89A-1yloA:
undetectable		 3g89A-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)
 0.89A 3g89A-1yoaA:
undetectable		 3g89A-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.
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)
 0.38A 3g89A-2avnA:
11.6		 3g89A-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.
2cbf COBALT-PRECORRIN-4
TRANSMETHYLASE

(Bacillus
megaterium) 		PF00590
(TP_methylase) 		5 GLY A 102
GLY A  27
THR A  37
ALA A 135
ALA A 105
 SAH  A 300 (-3.4A)
None
None
None
None
 1.07A 3g89A-2cbfA:
undetectable		 3g89A-2cbfA:
23.41
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.
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)
 1.08A 3g89A-2dwuA:
undetectable		 3g89A-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.
2fgq OUTER MEMBRANE PORIN
PROTEIN 32

(Delftia
acidovorans) 		PF13609
(Porin_4) 		5 GLY X 151
GLY X 174
ARG X  89
GLU X  87
ALA X 177
 None
 1.06A 3g89A-2fgqX:
undetectable		 3g89A-2fgqX:
23.80
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.
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
 1.05A 3g89A-2fjaA:
undetectable		 3g89A-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
 0.97A 3g89A-2gqdA:
undetectable		 3g89A-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.
2gqd 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Staphylococcus
aureus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 191
GLY A 168
ALA A 160
THR A 161
ALA A 144
 None
 1.08A 3g89A-2gqdA:
undetectable		 3g89A-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)
 1.04A 3g89A-2hqmA:
undetectable		 3g89A-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
 1.07A 3g89A-2iwzA:
undetectable		 3g89A-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
 1.02A 3g89A-2j4dA:
undetectable		 3g89A-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 3g89A-2wzsA:
undetectable		 3g89A-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
 1.02A 3g89A-2xijA:
undetectable		 3g89A-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.
2y93 CIS-2,3-DIHYDROBIPHE
NYL-2,3-DIOL
DEHYDROGENASE

(Comamonas
testosteroni) 		PF00106
(adh_short) 		5 GLY A  55
ARG A  68
ALA A  69
ARG A  19
ALA A  14
 None
 1.09A 3g89A-2y93A:
6.2		 3g89A-2y93A:
26.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 3g89A-2yr0A:
14.7		 3g89A-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
 1.02A 3g89A-3afgA:
undetectable		 3g89A-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)
 0.59A 3g89A-3ccfA:
14.2		 3g89A-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
 1.04A 3g89A-3cghA:
undetectable		 3g89A-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
 0.83A 3g89A-3cr8A:
undetectable		 3g89A-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
 1.00A 3g89A-3ctyA:
undetectable		 3g89A-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
 1.08A 3g89A-3cwuA:
undetectable		 3g89A-3cwuA:
25.64
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.
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
 1.07A 3g89A-3g25A:
undetectable		 3g89A-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) 		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)
 0.38A 3g89A-3g8aA:
36.6		 3g89A-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) 		5 GLY A  90
PHE A  93
THR A 113
LYS A 116
GLU A 244
 SAH  A 303 (-3.5A)
None
SAH  A 303 (-4.2A)
SAH  A 303 (-3.6A)
None
 0.94A 3g89A-3g8aA:
36.6		 3g89A-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
 1.04A 3g89A-3gg4A:
undetectable		 3g89A-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)
 0.66A 3g89A-3gu3A:
14.8		 3g89A-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.
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
 1.05A 3g89A-3holA:
undetectable		 3g89A-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 3g89A-3imlA:
undetectable		 3g89A-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
 1.09A 3g89A-3iruA:
undetectable		 3g89A-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
 1.09A 3g89A-3kfuE:
undetectable		 3g89A-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.
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)
 0.50A 3g89A-3mq2A:
12.7		 3g89A-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)
 1.04A 3g89A-3o4vA:
undetectable		 3g89A-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.
3pfd ACYL-COA
DEHYDROGENASE

(Mycolicibacterium
thermoresistibile) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 GLY A 323
PHE A 324
ASP A 249
ALA A 246
ARG A 110
 None
IOD  A 418 ( 4.9A)
None
None
None
 0.98A 3g89A-3pfdA:
undetectable		 3g89A-3pfdA:
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.
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)
 0.42A 3g89A-3r0qC:
8.2		 3g89A-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
 0.58A 3g89A-3sm3A:
15.7		 3g89A-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.
3tox SHORT CHAIN
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		5 GLY A  94
THR A 143
ALA A 124
ARG A  40
ALA A  39
 NAP  A 601 (-3.2A)
NAP  A 601 (-3.9A)
None
NAP  A 601 (-3.7A)
NAP  A 601 (-3.6A)
 1.07A 3g89A-3toxA:
6.4		 3g89A-3toxA:
26.71
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.
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 3g89A-3u02A:
undetectable		 3g89A-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
 1.09A 3g89A-3u1tA:
undetectable		 3g89A-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.
3u41 TWIN-ARGININE
LEADER-BINDING
PROTEIN DMSD

(Escherichia
coli) 		PF02613
(Nitrate_red_del) 		5 GLY A 179
ARG A  74
ALA A  71
GLU A  66
ALA A  59
 None
 1.05A 3g89A-3u41A:
undetectable		 3g89A-3u41A:
24.35
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.
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 3g89A-3w4rA:
undetectable		 3g89A-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 3g89A-3wl1A:
undetectable		 3g89A-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
 1.09A 3g89A-4bevA:
undetectable		 3g89A-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.
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 3g89A-4dcmA:
14.2		 3g89A-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)
 1.03A 3g89A-4e2zA:
10.0		 3g89A-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
 1.04A 3g89A-4eayA:
undetectable		 3g89A-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
ALA A  87
GLU A  88
 None
 0.81A 3g89A-4hg2A:
10.7		 3g89A-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.
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
 1.00A 3g89A-4hg2A:
10.7		 3g89A-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)
 0.68A 3g89A-4htfB:
13.5		 3g89A-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
 0.98A 3g89A-4jhpC:
undetectable		 3g89A-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
 1.08A 3g89A-4m46A:
2.9		 3g89A-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)
 0.70A 3g89A-4ox9Y:
13.2		 3g89A-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
 1.09A 3g89A-4p8rA:
undetectable		 3g89A-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.
4q0s L-RIBOSE ISOMERASE

(Acinetobacter
sp. DL-28) 		no annotation 5 GLY A 242
ALA A 238
ARG A 160
GLU A  61
ALA A 247
 None
 1.06A 3g89A-4q0sA:
undetectable		 3g89A-4q0sA:
24.49
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.
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
 0.87A 3g89A-4q65A:
undetectable		 3g89A-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)
 0.80A 3g89A-4qnxA:
11.3		 3g89A-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
 1.02A 3g89A-4u90A:
undetectable		 3g89A-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)
 0.79A 3g89A-4u90A:
undetectable		 3g89A-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
 1.02A 3g89A-4umvA:
undetectable		 3g89A-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 3g89A-4w1wA:
undetectable		 3g89A-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.
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)
 0.89A 3g89A-4wh3A:
undetectable		 3g89A-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.
5avp L-RIBOSE ISOMERASE

(Geodermatophilus
obscurus) 		no annotation 5 GLY A 246
ALA A 242
ARG A 164
GLU A  65
ALA A 251
 None
 1.04A 3g89A-5avpA:
undetectable		 3g89A-5avpA:
23.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.07A 3g89A-5dlyA:
11.6		 3g89A-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
 1.03A 3g89A-5e4yA:
undetectable		 3g89A-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
 0.38A 3g89A-5evjA:
11.2		 3g89A-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
 1.00A 3g89A-5exeB:
undetectable		 3g89A-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 3g89A-5fubA:
9.4		 3g89A-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)
 0.95A 3g89A-5fulA:
7.0		 3g89A-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.
5gj3 PERIPLASMIC BINDING
PROTEIN

(Roseiflexus sp.
RS-1) 		PF01497
(Peripla_BP_2) 		5 GLY A 337
GLY A 335
ALA A 190
GLU A 216
ALA A 343
 None
HEM  A 401 ( 4.2A)
None
None
None
 1.08A 3g89A-5gj3A:
undetectable		 3g89A-5gj3A:
27.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 3g89A-5h0iA:
undetectable		 3g89A-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.
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
 1.21A 3g89A-5n4cA:
undetectable		 3g89A-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.
5ods CLATHRIN HEAVY CHAIN
1

(Mus musculus) 		no annotation 5 GLY A 179
THR A 168
ARG A 144
ALA A 149
ALA A 172
 None
 1.09A 3g89A-5odsA:
undetectable		 3g89A-5odsA:
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.
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)
 0.91A 3g89A-5t67A:
9.8		 3g89A-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.
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
 1.08A 3g89A-5ur0A:
4.6		 3g89A-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
 1.02A 3g89A-5uuoB:
undetectable		 3g89A-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.
5v4q GAMMA-GLUTAMYLTRANSP
EPTIDASE 1 LIGHT
CHAIN

(Homo sapiens) 		PF01019
(G_glu_transpept) 		6 GLY B 473
ALA B 480
THR B 481
ARG B 503
GLU B 516
ALA B 382
 8WY  B1102 (-3.7A)
None
None
None
None
CL  B1103 (-3.8A)
 1.47A 3g89A-5v4qB:
undetectable		 3g89A-5v4qB:
23.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.28A 3g89A-5w15A:
undetectable		 3g89A-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.
5x6a ENDOGLUCANASE,
PUTATIVE

(Aspergillus
fumigatus) 		no annotation 5 GLY A 193
GLY A 191
ALA A  95
ALA A 195
ALA A 225
 None
 1.01A 3g89A-5x6aA:
undetectable		 3g89A-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 3g89A-5xqoA:
undetectable		 3g89A-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 3g89A-6b0tA:
undetectable		 3g89A-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.
6bld CYTOCHROME P450
268A2 CYP268A2

(Mycobacterium
marinum) 		no annotation 5 PHE A  33
ASP A  12
THR A  13
ARG A  37
ALA A  38
 None
 1.01A 3g89A-6bldA:
undetectable		 3g89A-6bldA:
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)
 0.95A 3g89A-6cu5A:
9.9		 3g89A-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)
 0.82A 3g89A-6d2lA:
9.8		 3g89A-6d2lA:
undetectable