SIMILAR PATTERNS OF AMINO ACIDS FOR 2GLU_A_SAMA301_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.
1bnl COLLAGEN XVIII

(Homo sapiens) 		PF06482
(Endostatin) 		5 GLY A  22
ALA A 145
THR A 146
ALA A 163
HIS A 166
 None
 1.06A 2gluA-1bnlA:
undetectable		 2gluA-1bnlA:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dp2 RHODANESE

(Bos taurus) 		PF00581
(Rhodanese) 		6 GLY A 273
GLY A 250
ASP A 272
THR A 163
GLU A 165
ARG A 248
 None
 1.47A 2gluA-1dp2A:
undetectable		 2gluA-1dp2A:
24.36
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.
1iw8 ACID PHOSPHATASE

(Shimwellia
blattae) 		PF01569
(PAP2) 		5 GLY A 176
ALA A 156
THR A 157
ALA A 197
HIS A 150
 None
 1.07A 2gluA-1iw8A:
undetectable		 2gluA-1iw8A:
22.31
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.
1kph CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE 1

(Mycobacterium
tuberculosis) 		PF02353
(CMAS) 		5 GLY A  72
GLY A  74
THR A  78
GLU A 124
HIS A 141
 SAH  A1900 (-3.1A)
SAH  A1900 (-3.2A)
None
SAH  A1900 (-2.9A)
SAH  A1900 (-4.4A)
 0.81A 2gluA-1kphA:
18.0		 2gluA-1kphA:
21.00
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.
1kpi CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE 2

(Mycobacterium
tuberculosis) 		PF02353
(CMAS) 		5 GLY A  80
GLY A  82
THR A  86
GLU A 132
HIS A 149
 SAH  A 900 (-3.3A)
SAH  A 900 (-3.1A)
None
SAH  A 900 (-3.1A)
SAH  A 900 (-4.3A)
 0.88A 2gluA-1kpiA:
17.2		 2gluA-1kpiA:
21.52
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.
1l1e MYCOLIC ACID
SYNTHASE

(Mycobacterium
tuberculosis) 		PF02353
(CMAS) 		5 GLY A  72
GLY A  74
THR A  78
GLU A 124
HIS A 141
 SAH  A 900 (-3.1A)
SAH  A 900 (-3.4A)
None
SAH  A 900 (-3.7A)
SAH  A 900 ( 4.8A)
 0.93A 2gluA-1l1eA:
18.1		 2gluA-1l1eA:
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.
1lcy HTRA2 SERINE
PROTEASE

(Homo sapiens) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 GLY A 128
THR A  24
ALA A 173
THR A 189
ALA A 199
 None
 1.05A 2gluA-1lcyA:
undetectable		 2gluA-1lcyA:
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.
1ldn L-LACTATE
DEHYDROGENASE

(Geobacillus
stearothermophilus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A  32
GLY A  27
ALA A 136
THR A 137
ALA A 252
 None
NAD  A 352 (-3.6A)
NAD  A 352 (-4.3A)
NAD  A 352 (-3.7A)
None
 1.08A 2gluA-1ldnA:
4.8		 2gluA-1ldnA:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lrk UDP-GLUCOSE
4-EPIMERASE

(Escherichia
coli) 		PF16363
(GDP_Man_Dehyd) 		5 GLY A   7
GLY A  10
HIS A  15
THR A  16
ASP A  31
 NAD  A 340 (-3.5A)
NAD  A 340 (-3.3A)
None
None
NAD  A 340 (-2.7A)
 0.92A 2gluA-1lrkA:
undetectable		 2gluA-1lrkA:
21.27
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.
1o94 TRIMETHYLAMINE
DEHYDROGENASE

(Methylophilus
methylotrophus) 		PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2) 		5 GLY A 401
GLY A 688
HIS A 689
THR A 487
ARG A 406
 None
None
None
ADP  A1731 (-4.2A)
None
 1.00A 2gluA-1o94A:
4.7		 2gluA-1o94A:
16.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ta9 GLYCEROL
DEHYDROGENASE

(Schizosaccharomyces
pombe) 		PF00465
(Fe-ADH) 		5 GLY A 285
THR A 288
ALA A 221
THR A 178
ALA A 179
 None
 1.05A 2gluA-1ta9A:
undetectable		 2gluA-1ta9A:
19.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tpy METHOXY MYCOLIC ACID
SYNTHASE 2

(Mycobacterium
tuberculosis) 		PF02353
(CMAS) 		5 GLY A  72
GLY A  74
THR A  78
GLU A 124
HIS A 141
 SAH  A1900 (-3.2A)
SAH  A1900 (-3.3A)
None
SAH  A1900 (-3.1A)
16A  A1901 ( 4.2A)
 0.89A 2gluA-1tpyA:
18.2		 2gluA-1tpyA:
21.04
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.
1uag UDP-N-ACETYLMURAMOYL
-L-ALANINE/:D-GLUTAM
ATE LIGASE

(Escherichia
coli) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 GLY A 345
GLY A 347
THR A 321
ASP A 372
GLU A 388
 None
 1.03A 2gluA-1uagA:
2.3		 2gluA-1uagA:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1un9 DIHYDROXYACETONE
KINASE

(Citrobacter
freundii) 		PF02733
(Dak1)
PF02734
(Dak2) 		5 GLY A 163
GLY A  72
THR A  75
ALA A 317
THR A 320
 None
 0.92A 2gluA-1un9A:
2.2		 2gluA-1un9A:
19.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vl5 UNKNOWN CONSERVED
PROTEIN BH2331

(Bacillus
halodurans) 		PF08241
(Methyltransf_11) 		6 GLY A  52
HIS A  55
ASP A  71
ALA A  99
ARG A 115
HIS A 120
 None
 0.76A 2gluA-1vl5A:
31.7		 2gluA-1vl5A:
34.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vlm SAM-DEPENDENT
METHYLTRANSFERASE

(Thermotoga
maritima) 		PF08241
(Methyltransf_11) 		5 GLY A  43
GLY A  45
THR A  80
ALA A  81
GLU A  82
 NA  A 300 (-4.1A)
None
None
None
None
 0.45A 2gluA-1vlmA:
19.1		 2gluA-1vlmA:
26.52
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.
1vpd TARTRONATE
SEMIALDEHYDE
REDUCTASE

(Salmonella
enterica) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		5 GLY A 168
GLY A 166
ASP A 119
ALA A 120
HIS A 161
 None
 0.97A 2gluA-1vpdA:
5.0		 2gluA-1vpdA:
21.26
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.
1x2b PROLINE
IMINOPEPTIDASE

(Serratia
marcescens) 		PF00561
(Abhydrolase_1) 		5 GLY A 295
GLY A 265
ASP A 268
ALA A 270
THR A 207
 None
None
None
STX  A 401 ( 4.7A)
None
 1.07A 2gluA-1x2bA:
2.4		 2gluA-1x2bA:
23.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xdz METHYLTRANSFERASE
GIDB

(Bacillus
subtilis) 		PF02527
(GidB) 		5 GLY A  79
ASP A 100
ALA A 128
GLU A 129
ARG A 147
 None
 0.64A 2gluA-1xdzA:
14.9		 2gluA-1xdzA:
19.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xxl YCGJ PROTEIN

(Bacillus
subtilis) 		PF08241
(Methyltransf_11) 		12 GLY A  20
GLY A  22
HIS A  25
THR A  26
ASP A  41
ALA A  42
THR A  43
THR A  68
ALA A  69
GLU A  70
ARG A  85
HIS A  90
 None
None
SO4  A 402 (-4.2A)
None
None
None
None
None
None
None
SO4  A 402 (-3.3A)
None
 0.40A 2gluA-1xxlA:
39.0		 2gluA-1xxlA:
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.
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)
 0.30A 2gluA-2avnA:
17.6		 2gluA-2avnA:
27.68
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.
2cvz 3-HYDROXYISOBUTYRATE
DEHYDROGENASE

(Thermus
thermophilus) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		5 GLY A 161
GLY A 159
ASP A 113
ALA A 114
HIS A 154
 None
 0.88A 2gluA-2cvzA:
5.6		 2gluA-2cvzA:
19.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ek8 AMINOPEPTIDASE

(Aneurinibacillus
sp. AM-1) 		PF02225
(PA)
PF04389
(Peptidase_M28) 		5 GLY A 103
GLY A 101
ASP A 107
ALA A 106
THR A 105
 None
 1.05A 2gluA-2ek8A:
2.2		 2gluA-2ek8A:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f9i ACETYL-COENZYME A
CARBOXYLASE CARBOXYL
TRANSFERASE SUBUNIT
BETA

(Staphylococcus
aureus) 		PF01039
(Carboxyl_trans) 		5 ASP B 129
ALA B  63
THR B  62
GLU B  78
ARG B 133
 None
 0.98A 2gluA-2f9iB:
undetectable		 2gluA-2f9iB:
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.
2ipc PREPROTEIN
TRANSLOCASE SECA
SUBUNIT

(Thermus
thermophilus) 		PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD) 		5 HIS A 201
ALA A 114
THR A 110
ALA A 109
HIS A  92
 None
 0.98A 2gluA-2ipcA:
2.1		 2gluA-2ipcA:
12.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iwz 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE

(Homo sapiens) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 234
GLY A 212
HIS A 214
ALA A 280
ALA A 126
 None
 0.98A 2gluA-2iwzA:
undetectable		 2gluA-2iwzA:
21.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j9d HYPOTHETICAL
NITROGEN REGULATORY
PII-LIKE PROTEIN
MJ0059

(Methanocaldococcus
jannaschii) 		PF00543
(P-II) 		6 GLY E  89
GLY E  87
ASP E  88
ALA E  81
ALA E   6
ARG E  36
 None
 1.48A 2gluA-2j9dE:
undetectable		 2gluA-2j9dE:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p4t DIHYDROFOLATE
REDUCTASE TYPE 2

(Escherichia
coli) 		PF06442
(DHFR_2) 		6 GLY A  25
GLY A  27
ASP A  28
THR A  23
ALA A  22
GLU A  53
 None
 1.36A 2gluA-2p4tA:
undetectable		 2gluA-2p4tA:
12.09
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.
2vqa SLL1358 PROTEIN

(Synechocystis
sp. PCC 6803) 		PF00190
(Cupin_1) 		5 HIS A 235
THR A 236
THR A 228
THR A 223
ALA A 222
 None
 0.91A 2gluA-2vqaA:
undetectable		 2gluA-2vqaA:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w37 ORNITHINE
CARBAMOYLTRANSFERASE
, CATABOLIC

(Lactobacillus
hilgardii) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 ASP A  75
ALA A  72
THR A  71
ALA A 332
HIS A 325
 None
 1.07A 2gluA-2w37A:
5.3		 2gluA-2w37A:
22.76
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.
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 2gluA-2xijA:
3.4		 2gluA-2xijA:
14.90
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.
2yr0 HYPOTHETICAL PROTEIN
TTHA0223

(Thermus
thermophilus) 		PF08241
(Methyltransf_11) 		5 GLY A  47
GLY A  49
ASP A  68
ALA A  69
ALA A  95
 None
 0.45A 2gluA-2yr0A:
18.1		 2gluA-2yr0A:
24.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3afg SUBTILISIN-LIKE
SERINE PROTEASE

(Thermococcus
kodakarensis) 		PF00082
(Peptidase_S8)
PF04151
(PPC) 		6 GLY A 190
GLY A 192
ASP A 156
ALA A 337
THR A 182
ALA A 185
 None
 1.28A 2gluA-3afgA:
undetectable		 2gluA-3afgA:
17.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3anx SPERMIDINE SYNTHASE

(Thermus
thermophilus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A  85
GLY A  87
THR A  91
ASP A 108
ALA A 141
 MTA  A 315 (-3.2A)
MTA  A 315 (-4.0A)
None
MTA  A 315 (-3.3A)
MTA  A 315 (-3.5A)
 0.79A 2gluA-3anxA:
12.3		 2gluA-3anxA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cky 2-HYDROXYMETHYL
GLUTARATE
DEHYDROGENASE

(Eubacterium
barkeri) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		5 GLY A 170
GLY A 168
ASP A 121
ALA A 122
HIS A 163
 None
 0.87A 2gluA-3ckyA:
7.4		 2gluA-3ckyA:
22.26
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.
3cr8 SULFATE
ADENYLYLTRANSFERASE,
ADENYLYLSULFATE
KINASE

(Thiobacillus
denitrificans) 		PF01583
(APS_kinase)
PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		5 GLY A 443
GLY A 369
ALA A 445
THR A 371
THR A 402
 None
 1.01A 2gluA-3cr8A:
undetectable		 2gluA-3cr8A:
19.30
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.
3dli METHYLTRANSFERASE

(Archaeoglobus
fulgidus) 		PF13489
(Methyltransf_23) 		5 GLY A 290
GLY A 292
ASP A 311
ALA A 331
HIS A 354
 None
 0.51A 2gluA-3dliA:
18.4		 2gluA-3dliA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ege PUTATIVE
METHYLTRANSFERASE
FROM ANTIBIOTIC
BIOSYNTHESIS PATHWAY

(Trichormus
variabilis) 		PF08241
(Methyltransf_11) 		5 GLY A  41
GLY A  43
ALA A  84
GLU A  85
HIS A 105
 EDO  A 261 (-3.2A)
EDO  A 261 ( 3.9A)
None
None
EDO  A 261 ( 4.6A)
 0.92A 2gluA-3egeA:
17.3		 2gluA-3egeA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3enk UDP-GLUCOSE
4-EPIMERASE

(Burkholderia
pseudomallei) 		PF16363
(GDP_Man_Dehyd) 		6 GLY A  11
GLY A  14
HIS A  19
THR A  20
ASP A  35
THR A  61
 NAD  A 341 (-3.4A)
NAD  A 341 (-3.3A)
None
None
NAD  A 341 (-2.7A)
None
 1.44A 2gluA-3enkA:
6.9		 2gluA-3enkA:
22.25
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.
3g8a RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G

(Thermus
thermophilus) 		PF02527
(GidB) 		8 GLY A  88
GLY A  90
ASP A 111
ALA A 112
THR A 113
ALA A 139
GLU A 140
ARG A 158
 SAH  A 303 (-3.0A)
SAH  A 303 (-3.5A)
SAH  A 303 (-2.9A)
SAH  A 303 (-3.6A)
SAH  A 303 (-4.2A)
SAH  A 303 (-3.8A)
SAH  A 303 (-3.4A)
SAH  A 303 (-3.9A)
 0.66A 2gluA-3g8aA:
16.6		 2gluA-3g8aA:
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.
3ipc ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN (AMINO ACID)

(Agrobacterium
fabrum) 		PF13458
(Peripla_BP_6) 		5 GLY A 225
GLY A 227
HIS A 203
ASP A 226
ALA A 128
 None
LEU  A 500 (-3.3A)
None
LEU  A 500 (-3.0A)
None
 0.76A 2gluA-3ipcA:
undetectable		 2gluA-3ipcA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ipc ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN (AMINO ACID)

(Agrobacterium
fabrum) 		PF13458
(Peripla_BP_6) 		5 GLY A 225
GLY A 227
HIS A 203
ASP A 226
THR A 102
 None
LEU  A 500 (-3.3A)
None
LEU  A 500 (-3.0A)
LEU  A 500 (-3.0A)
 0.90A 2gluA-3ipcA:
undetectable		 2gluA-3ipcA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mq2 16S RRNA
METHYLTRANSFERASE

(Streptoalloteichus
tenebrarius) 		PF02390
(Methyltransf_4) 		7 GLY A  32
GLY A  34
ASP A  55
ALA A  56
THR A  86
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 (-4.4A)
SAH  A 216 (-3.5A)
SAH  A 216 (-2.9A)
 0.46A 2gluA-3mq2A:
13.4		 2gluA-3mq2A:
24.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mq2 16S RRNA
METHYLTRANSFERASE

(Streptoalloteichus
tenebrarius) 		PF02390
(Methyltransf_4) 		6 GLY A  32
GLY A  34
THR A 191
ASP A  55
ALA A  56
THR A  86
 SAH  A 216 (-3.5A)
SAH  A 216 (-3.4A)
SAH  A 216 (-2.7A)
SAH  A 216 (-2.9A)
SAH  A 216 (-3.8A)
SAH  A 216 (-4.4A)
 1.34A 2gluA-3mq2A:
13.4		 2gluA-3mq2A:
24.00
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.
3q3c PROBABLE
3-HYDROXYISOBUTYRATE
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		5 GLY A 167
GLY A 165
ASP A 118
ALA A 119
HIS A 160
 None
 0.90A 2gluA-3q3cA:
5.8		 2gluA-3q3cA:
20.51
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.
3qha PUTATIVE
OXIDOREDUCTASE

(Mycobacterium
avium) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		5 GLY A 173
GLY A 171
ASP A 124
ALA A 125
HIS A 166
 None
 0.91A 2gluA-3qhaA:
6.7		 2gluA-3qhaA:
23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.48A 2gluA-3r0qC:
10.4		 2gluA-3r0qC:
18.80
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.
3r7t ADENYLOSUCCINATE
SYNTHETASE

(Campylobacter
jejuni) 		PF00709
(Adenylsucc_synt) 		5 GLY A 260
GLY A   9
ALA A 315
THR A 314
ALA A 322
 None
 0.96A 2gluA-3r7tA:
undetectable		 2gluA-3r7tA:
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.
3s5w L-ORNITHINE
5-MONOOXYGENASE

(Pseudomonas
aeruginosa) 		PF13434
(K_oxygenase) 		5 GLY A 185
ASP A 184
ALA A 324
THR A 323
ALA A 322
 None
 1.04A 2gluA-3s5wA:
3.4		 2gluA-3s5wA:
21.48
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.
3s6j HYDROLASE, HALOACID
DEHALOGENASE-LIKE
FAMILY

(Pseudomonas
syringae group
genomosp. 3) 		PF13419
(HAD_2) 		5 GLY A 294
GLY A 116
ASP A 273
ALA A 274
GLU A 300
 None
CA  A   4 ( 4.5A)
CA  A   4 (-2.5A)
CA  A   4 ( 4.5A)
None
 0.91A 2gluA-3s6jA:
2.6		 2gluA-3s6jA:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u4j NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00171
(Aldedh) 		5 GLY A 120
GLY A 123
ALA A 104
ALA A 116
GLU A 337
 None
 0.96A 2gluA-3u4jA:
5.6		 2gluA-3u4jA:
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.
3up4 OTEMO

(Pseudomonas
putida) 		PF00743
(FMO-like) 		5 GLY A 436
HIS A 438
ALA A 142
THR A 143
ALA A 454
 None
None
None
FAD  A 551 ( 4.3A)
None
 1.06A 2gluA-3up4A:
2.5		 2gluA-3up4A:
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.
3v4b STARVATION SENSING
PROTEIN RSPA

(Cellvibrio
japonicus) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A  32
HIS A 353
ASP A  33
ALA A  34
THR A  35
 None
 1.04A 2gluA-3v4bA:
undetectable		 2gluA-3v4bA:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vcn MANNONATE
DEHYDRATASE

(Caulobacter
vibrioides) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A  33
HIS A 354
ASP A  34
ALA A  35
THR A  36
 None
GOL  A 506 (-3.7A)
None
None
None
 0.98A 2gluA-3vcnA:
undetectable		 2gluA-3vcnA:
21.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wrt BETA-LACTAMASE

(Chromohalobacter
sp. 560) 		PF00144
(Beta-lactamase) 		5 GLY A 107
HIS A 113
THR A 114
THR A 163
ALA A  88
 None
 0.97A 2gluA-3wrtA:
undetectable		 2gluA-3wrtA:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.07A 2gluA-4cxkA:
undetectable		 2gluA-4cxkA:
18.35
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.
4f32 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Burkholderia
vietnamiensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 282
HIS A 278
ALA A 327
ALA A 292
HIS A 313
 N32  A 501 (-4.3A)
N32  A 501 (-4.2A)
None
None
N32  A 501 (-4.0A)
 1.03A 2gluA-4f32A:
undetectable		 2gluA-4f32A:
22.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fi4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Caulobacter sp.
K31) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A  33
HIS A 354
ASP A  34
ALA A  35
THR A  36
 None
GOL  A 507 (-3.9A)
None
None
None
 0.96A 2gluA-4fi4A:
undetectable		 2gluA-4fi4A:
20.37
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.
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
 0.69A 2gluA-4hg2A:
15.8		 2gluA-4hg2A:
26.04
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.
4htf S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		5 GLY B  52
GLY B  54
THR B  58
ASP B  73
ALA B 102
 SAM  B 301 (-3.5A)
SAM  B 301 (-3.4A)
None
SAM  B 301 (-3.1A)
SAM  B 301 (-3.7A)
 0.75A 2gluA-4htfB:
18.5		 2gluA-4htfB:
24.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ine PROTEIN PMT-2

(Caenorhabditis
elegans) 		PF08241
(Methyltransf_11) 		5 GLY A 232
ASP A 254
ALA A 282
ARG A 298
HIS A 303
 SAH  A 501 (-3.6A)
SAH  A 501 (-2.6A)
SAH  A 501 (-3.6A)
None
SAH  A 501 (-4.0A)
 0.66A 2gluA-4ineA:
19.1		 2gluA-4ineA:
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.
4ine PROTEIN PMT-2

(Caenorhabditis
elegans) 		PF08241
(Methyltransf_11) 		5 GLY A 232
GLY A 234
ASP A 254
ALA A 282
HIS A 303
 SAH  A 501 (-3.6A)
SAH  A 501 (-3.6A)
SAH  A 501 (-2.6A)
SAH  A 501 (-3.6A)
SAH  A 501 (-4.0A)
 0.57A 2gluA-4ineA:
19.1		 2gluA-4ineA:
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.
4iv8 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
knowlesi) 		PF08241
(Methyltransf_11) 		5 GLY A  61
GLY A  63
ASP A  83
ARG A 125
HIS A 130
 SAM  A 301 (-3.5A)
SAM  A 301 ( 3.9A)
SAM  A 301 (-2.7A)
None
SAM  A 301 (-3.9A)
 0.89A 2gluA-4iv8A:
18.9		 2gluA-4iv8A:
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.
4jga 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Rickettsia
rickettsii) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 202
GLY A 180
HIS A 182
ALA A 250
ALA A  94
 None
 0.84A 2gluA-4jgaA:
undetectable		 2gluA-4jgaA:
20.68
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.
4jy4 PGT121 HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 GLY B  88
THR B 105
ALA B  85
THR B  83
ALA B  82
 None
 0.97A 2gluA-4jy4B:
undetectable		 2gluA-4jy4B:
19.85
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.
4k82 LV-RANASPUMIN
(LV-RSN-1)

(Leptodactylus
vastus) 		no annotation 5 GLY A  15
GLY A  13
ASP A  75
ALA A  74
ALA A  68
 None
 1.05A 2gluA-4k82A:
undetectable		 2gluA-4k82A:
20.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ka8 OLIGOPEPTIDASE A

(Arabidopsis
thaliana) 		PF01432
(Peptidase_M3) 		5 GLY A 756
GLY A 591
ALA A 754
THR A 751
GLU A 767
 None
 1.06A 2gluA-4ka8A:
undetectable		 2gluA-4ka8A:
16.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kdr 3-DEMETHYLUBIQUINONE
-9
3-METHYLTRANSFERASE

(Escherichia
coli) 		PF13489
(Methyltransf_23) 		5 GLY A  64
GLY A  66
ASP A  85
THR A 111
GLU A 113
 SAH  A 301 (-3.7A)
SAH  A 301 (-3.2A)
SAH  A 301 (-2.9A)
None
None
 0.88A 2gluA-4kdrA:
20.0		 2gluA-4kdrA:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus) 		PF08241
(Methyltransf_11) 		5 GLY A 228
ASP A 250
ALA A 278
ARG A 294
HIS A 299
 SAH  A 701 (-3.5A)
SAH  A 701 (-2.7A)
SAH  A 701 (-3.7A)
None
SAH  A 701 (-4.2A)
 0.69A 2gluA-4kriA:
19.5		 2gluA-4kriA:
19.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus) 		PF08241
(Methyltransf_11) 		5 GLY A 228
GLY A 230
ASP A 250
ALA A 278
HIS A 299
 SAH  A 701 (-3.5A)
SAH  A 701 (-3.5A)
SAH  A 701 (-2.7A)
SAH  A 701 (-3.7A)
SAH  A 701 (-4.2A)
 0.57A 2gluA-4kriA:
19.5		 2gluA-4kriA:
19.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lwo ARGININE
N-METHYLTRANSFERASE,
PUTATIVE

(Trypanosoma
brucei) 		no annotation 5 GLY B  62
GLY B  64
ALA B  85
THR B 111
GLU B 113
 None
 0.71A 2gluA-4lwoB:
9.0		 2gluA-4lwoB:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mk3 GLUTATHIONE
S-TRANSFERASE

(Cupriavidus
metallidurans) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		5 GLY A 150
HIS A 152
THR A 154
ALA A 143
THR A 140
 None
None
None
None
PG4  A 303 ( 4.1A)
 1.03A 2gluA-4mk3A:
undetectable		 2gluA-4mk3A:
26.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n6b SERINE
ACETYLTRANSFERASE
APOENZYME

(Glycine max) 		PF00132
(Hexapep)
PF06426
(SATase_N) 		5 GLY A 221
GLY A 194
THR A 178
THR A 218
ARG A 203
 None
 1.06A 2gluA-4n6bA:
undetectable		 2gluA-4n6bA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 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 2gluA-4ox9Y:
12.5		 2gluA-4ox9Y:
24.23
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.
4qav 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Neisseria
meningitidis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 190
GLY A 168
HIS A 170
ALA A 237
ALA A  82
 None
 0.91A 2gluA-4qavA:
undetectable		 2gluA-4qavA:
19.57
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.
4qnx TRNA
(MO5U34)-METHYLTRANS
FERASE

(Escherichia
coli) 		PF08003
(Methyltransf_9) 		5 GLY A 130
ASP A 152
THR A 154
GLU A 182
HIS A 201
 None
None
None
SO4  A 404 (-4.7A)
None
 0.83A 2gluA-4qnxA:
16.8		 2gluA-4qnxA:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 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)
 0.81A 2gluA-4qnxA:
16.8		 2gluA-4qnxA:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r3u 2-HYDROXYISOBUTYRYL-
COA MUTASE LARGE
SUBUNIT

(Aquincola
tertiaricarbonis) 		PF01642
(MM_CoA_mutase) 		5 GLY A 138
GLY A 141
ASP A 119
THR A 122
ALA A 491
 None
5AD  A 803 ( 4.1A)
None
None
None
 1.01A 2gluA-4r3uA:
undetectable		 2gluA-4r3uA:
18.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rsl FRUCTOSYL PEPTIDE
OXIDASE

(Penicillium
terrenum) 		PF01266
(DAO) 		5 GLY A  14
GLY A  16
THR A  23
ASP A  41
THR A 187
 FAD  A 502 (-3.6A)
FAD  A 502 (-4.2A)
None
FAD  A 502 (-3.0A)
FAD  A 502 (-4.3A)
 0.94A 2gluA-4rslA:
2.8		 2gluA-4rslA:
18.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4twr NAD BINDING
SITE:NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E:UDP-GLUCOSE
4-EPIMERASE

(Brucella
abortus) 		PF01370
(Epimerase) 		5 GLY A  10
GLY A  13
HIS A  18
THR A  19
THR A  38
 NAD  A 400 (-3.4A)
NAD  A 400 (-3.3A)
None
None
NAD  A 400 (-3.5A)
 1.09A 2gluA-4twrA:
6.1		 2gluA-4twrA:
22.71
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.
4x8f RIBOKINASE

(Vibrio cholerae) 		PF00294
(PfkB) 		5 GLY A  39
ALA A 249
THR A 248
THR A 253
ALA A  47
 None
 1.07A 2gluA-4x8fA:
3.8		 2gluA-4x8fA:
24.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ynu GLUCOSE OXIDASE,
PUTATIVE

(Aspergillus
flavus) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 GLY A  12
GLY A  14
ALA A  37
THR A 234
ALA A 235
 FAD  A 601 (-3.3A)
FAD  A 601 (-3.4A)
FAD  A 601 (-3.6A)
FAD  A 601 (-4.3A)
FAD  A 601 (-3.5A)
 0.89A 2gluA-4ynuA:
3.7		 2gluA-4ynuA:
16.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aj8 TUBULIN BINDING
COFACTOR C

(Leishmania
major) 		PF07986
(TBCC) 		5 GLY A 181
GLY A 162
ALA A 183
THR A 165
THR A 202
 None
 1.03A 2gluA-5aj8A:
undetectable		 2gluA-5aj8A:
18.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e1b N-TERMINAL
XAA-PRO-LYS
N-METHYLTRANSFERASE
1

(Homo sapiens) 		PF05891
(Methyltransf_PK) 		5 GLY A  69
GLY A  71
ASP A  91
THR A  93
HIS A 140
 SAH  A 301 (-3.9A)
SAH  A 301 (-3.1A)
SAH  A 301 (-2.7A)
SAH  A 301 (-3.6A)
SAH  A 301 (-3.8A)
 0.89A 2gluA-5e1bA:
17.7		 2gluA-5e1bA:
24.00
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.
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
 0.48A 2gluA-5evjA:
17.5		 2gluA-5evjA:
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.
5fub PROTEIN ARGININE
METHYLTRANSFERASE 2

(Danio rerio) 		PF13649
(Methyltransf_25) 		5 GLY A 123
GLY A 125
ALA A 147
ALA A 174
GLU A 175
 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)
 0.48A 2gluA-5fubA:
11.5		 2gluA-5fubA:
24.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gm2 O-METHYLRANSFERASE

(Streptomyces
blastmyceticus) 		PF08241
(Methyltransf_11) 		5 GLY A  85
GLY A  87
THR A  91
ALA A 136
HIS A 157
 SAH  A 301 (-3.2A)
SAH  A 301 (-3.1A)
SAH  A 301 (-4.2A)
SAH  A 301 (-3.4A)
SAH  A 301 ( 4.3A)
 0.86A 2gluA-5gm2A:
21.3		 2gluA-5gm2A:
24.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gxd AMP-DEPENDENT
SYNTHETASE AND
LIGASE

(Dinoroseobacter
shibae) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		5 GLY A 287
THR A 391
ALA A 279
THR A 332
ALA A 333
 None
AMP  A 701 (-3.6A)
None
None
COA  A 703 ( 3.8A)
 1.09A 2gluA-5gxdA:
3.0		 2gluA-5gxdA:
17.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mqm GLYCOSYL HYDROLASES
FAMILY 2, SUGAR
BINDING DOMAIN

(Bacteroides
thetaiotaomicron) 		PF17132
(Glyco_hydro_106) 		5 GLY A 125
GLY A 413
ALA A 410
ALA A 127
GLU A 461
 None
None
None
None
RPQ  A1204 (-3.9A)
 1.05A 2gluA-5mqmA:
undetectable		 2gluA-5mqmA:
12.55
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.
5n4c PROLYL
OLIGOPEPTIDASE

(Galerina
marginata) 		no annotation 5 GLY A 529
GLY A 497
ALA A 500
THR A 501
GLU A 535
 None
 1.05A 2gluA-5n4cA:
undetectable		 2gluA-5n4cA:
15.72
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.
5u8s CELL DIVISION
CONTROL PROTEIN 45

(Saccharomyces
cerevisiae) 		PF02724
(CDC45) 		5 GLY E  85
GLY E  87
ASP E 124
ALA E 125
ALA E  38
 None
 0.96A 2gluA-5u8sE:
undetectable		 2gluA-5u8sE:
16.13
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.
5xao UNCHARACTERIZED
PROTEIN

(Parastagonospora
nodorum) 		PF01266
(DAO) 		5 GLY A  14
GLY A  16
THR A  23
ASP A  41
ALA A  42
 FAD  A 501 (-3.4A)
FAD  A 501 (-4.2A)
None
FAD  A 501 (-2.9A)
FAD  A 501 (-4.3A)
 0.77A 2gluA-5xaoA:
2.9		 2gluA-5xaoA:
19.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xao UNCHARACTERIZED
PROTEIN

(Parastagonospora
nodorum) 		PF01266
(DAO) 		5 GLY A  14
GLY A  17
THR A  23
ASP A  41
ALA A  42
 FAD  A 501 (-3.4A)
FAD  A 501 (-3.3A)
None
FAD  A 501 (-2.9A)
FAD  A 501 (-4.3A)
 0.87A 2gluA-5xaoA:
2.9		 2gluA-5xaoA:
19.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xgw ISOASPARTYL
DIPEPTIDASE

(Colwellia
psychrerythraea) 		no annotation 5 GLY A 163
GLY A 165
HIS A  71
ALA A 151
ALA A 192
 None
None
ZN  A 401 (-3.4A)
None
None
 1.08A 2gluA-5xgwA:
undetectable		 2gluA-5xgwA:
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.
5y8p PROBABLE
3-HYDROXYISOBUTYRATE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		no annotation 5 GLY A 164
GLY A 162
ASP A 115
ALA A 116
HIS A 157
 None
 0.87A 2gluA-5y8pA:
6.4		 2gluA-5y8pA:
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.
6ar7 UNCHARACTERIZED
PROTEIN

(Burkholderia
thailandensis) 		PF07007
(LprI) 		5 GLY A 152
GLY A 150
ALA A 147
THR A  81
ALA A  82
 None
 0.94A 2gluA-6ar7A:
undetectable		 2gluA-6ar7A:
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.
6bq6 THERMOSPERMINE
SYNTHASE

(Medicago
truncatula) 		no annotation 5 GLY A 106
GLY A 108
THR A 112
ASP A 129
ALA A 161
 TER  A 402 ( 4.1A)
CL  A 401 (-4.6A)
CL  A 401 (-4.3A)
TER  A 402 ( 4.4A)
None
 0.90A 2gluA-6bq6A:
11.9		 2gluA-6bq6A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6esq HYDROXYMETHYLGLUTARY
L-COA SYNTHASE

(Methanothermococcus
thermolithotrophicus) 		no annotation 5 GLY I  80
ALA I  53
THR I  52
THR I  94
ALA I  93
 None
 1.05A 2gluA-6esqI:
undetectable		 2gluA-6esqI:
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.
6evg MULTI-COPPER OXIDASE
CUEO

(Ochrobactrum) 		no annotation 5 GLY A  61
GLY A  65
ALA A  57
THR A  43
HIS A  46
 None
 1.00A 2gluA-6evgA:
undetectable		 2gluA-6evgA:
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 5 GLY A  45
GLY A  43
ASP A  46
ALA A  49
ARG A 232
 None
 1.03A 2gluA-6gupA:
undetectable		 2gluA-6gupA:
undetectable