SIMILAR PATTERNS OF AMINO ACIDS FOR 3SGL_A_SAMA692

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.
1dl5 PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Thermotoga
maritima) 		PF01135
(PCMT) 		5 GLU A  81
GLY A  83
GLY A  85
ASN A  89
ASP A 134
 SAH  A 699 (-3.4A)
SAH  A 699 (-3.2A)
SAH  A 699 (-3.5A)
SAH  A 699 (-4.9A)
SAH  A 699 (-3.5A)
 0.78A 3sglA-1dl5A:
6.7		 3sglA-1dl5A:
17.49
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.
1dl5 PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Thermotoga
maritima) 		PF01135
(PCMT) 		5 GLU A  81
GLY A  83
GLY A  85
THR A  86
ASP A 134
 SAH  A 699 (-3.4A)
SAH  A 699 (-3.2A)
SAH  A 699 (-3.5A)
None
SAH  A 699 (-3.5A)
 0.63A 3sglA-1dl5A:
6.7		 3sglA-1dl5A:
17.49
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.
1fzt PHOSPHOGLYCERATE
MUTASE

(Schizosaccharomyces
pombe) 		PF00300
(His_Phos_1) 		5 GLY A 190
THR A 189
LEU A 187
LYS A  43
VAL A  78
 None
 0.93A 3sglA-1fztA:
undetectable		 3sglA-1fztA:
14.91
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.
1g8k ARSENITE OXIDASE

(Alcaligenes
faecalis) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 GLY A 390
GLY A 304
THR A 305
LEU A 309
GLY A 386
 MGD  A5002 ( 4.9A)
MGD  A5002 (-3.6A)
None
None
MGD  A5002 (-3.1A)
 1.03A 3sglA-1g8kA:
2.2		 3sglA-1g8kA:
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.
1hp1 5'-NUCLEOTIDASE

(Escherichia
coli) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		5 GLY A 365
ASN A 422
ASP A 537
VAL A 538
GLY A 416
 None
 0.92A 3sglA-1hp1A:
undetectable		 3sglA-1hp1A:
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.
1jg3 PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Pyrococcus
furiosus) 		PF01135
(PCMT) 		5 GLU A  97
GLY A  99
GLY A 101
ASN A 105
ASP A 148
 None
ADN  A 500 (-3.2A)
ADN  A 500 (-3.4A)
None
ADN  A 500 (-3.7A)
 0.82A 3sglA-1jg3A:
6.4		 3sglA-1jg3A:
15.27
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.
1kp2 ARGININOSUCCINATE
SYNTHETASE

(Escherichia
coli) 		PF00764
(Arginosuc_synth) 		5 GLY A 267
GLY A 271
TYR A 369
VAL A 236
GLY A 295
 None
 1.04A 3sglA-1kp2A:
3.8		 3sglA-1kp2A:
21.21
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.
1l3i PRECORRIN-6Y
METHYLTRANSFERASE/PU
TATIVE DECARBOXYLASE

(Methanothermobacter
thermautotrophicus) 		PF13847
(Methyltransf_31) 		5 GLY A  41
GLY A  43
THR A  44
ASP A  90
GLY A 107
 SAH  A 801 (-3.4A)
SAH  A 801 (-3.2A)
SAH  A 801 (-4.1A)
SAH  A 801 (-3.8A)
SAH  A 801 (-4.6A)
 0.99A 3sglA-1l3iA:
5.1		 3sglA-1l3iA:
13.35
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.
1l3i PRECORRIN-6Y
METHYLTRANSFERASE/PU
TATIVE DECARBOXYLASE

(Methanothermobacter
thermautotrophicus) 		PF13847
(Methyltransf_31) 		5 GLY A  41
GLY A  43
THR A  44
ASP A  90
GLY A 108
 SAH  A 801 (-3.4A)
SAH  A 801 (-3.2A)
SAH  A 801 (-4.1A)
SAH  A 801 (-3.8A)
SAH  A 801 (-3.4A)
 0.76A 3sglA-1l3iA:
5.1		 3sglA-1l3iA:
13.35
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.
1mu2 HIV-2 RT
HIV-2 RT

(Human
immunodeficiency
virus 2;
Human
immunodeficiency
virus 2) 		PF00075
(RNase_H)
PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb)
PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		5 GLY A 542
GLY B 285
LEU B 282
VAL A 547
GLY A 540
 None
None
None
None
SO4  A1303 (-4.3A)
 1.01A 3sglA-1mu2A:
undetectable		 3sglA-1mu2A:
21.33
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.
1nvm 4-HYDROXY-2-OXOVALER
ATE ALDOLASE

(Pseudomonas sp.
CF600) 		PF00682
(HMGL-like)
PF07836
(DmpG_comm) 		5 GLY A 208
LEU A 205
ASP A  13
VAL A  14
GLY A 235
 None
 0.99A 3sglA-1nvmA:
undetectable		 3sglA-1nvmA:
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.
1vrq SARCOSINE OXIDASE
ALPHA SUBUNIT

(Corynebacterium
sp. U-96) 		PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF12831
(FAD_oxidored)
PF13510
(Fer2_4) 		5 GLY A 431
GLY A 139
LEU A 246
VAL A 450
GLY A 435
 None
 1.04A 3sglA-1vrqA:
6.3		 3sglA-1vrqA:
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.
1wy7 HYPOTHETICAL PROTEIN
PH1948

(Pyrococcus
horikoshii) 		PF05175
(MTS) 		5 GLY A  57
GLY A  59
THR A  60
ASP A 105
VAL A 106
 SAH  A1001 (-3.4A)
SAH  A1001 (-3.3A)
SAH  A1001 (-3.6A)
SAH  A1001 (-3.2A)
SAH  A1001 (-3.9A)
 0.44A 3sglA-1wy7A:
3.2		 3sglA-1wy7A:
13.93
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.
1xfi UNKNOWN PROTEIN

(Arabidopsis
thaliana) 		PF01937
(DUF89) 		5 GLY A 319
ASN A 221
LYS A 338
VAL A 359
GLY A 321
 None
MG  A 400 (-2.8A)
None
None
None
 1.10A 3sglA-1xfiA:
2.8		 3sglA-1xfiA:
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.
1zq9 PROBABLE
DIMETHYLADENOSINE
TRANSFERASE

(Homo sapiens) 		PF00398
(RrnaAD) 		6 GLU A  62
GLY A  64
GLY A  66
THR A  67
ASP A 113
VAL A 114
 None
SAM  A4000 (-3.1A)
SAM  A4000 (-3.2A)
None
SAM  A4000 (-3.8A)
SAM  A4000 (-3.9A)
 0.64A 3sglA-1zq9A:
5.3		 3sglA-1zq9A:
17.31
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.
2bu2 PYRUVATE
DEHYDROGENSAE KINASE
ISOENZYME 2

(Homo sapiens) 		PF02518
(HATPase_c)
PF10436
(BCDHK_Adom3) 		5 GLY A 319
GLY A 317
LEU A 315
VAL A 119
GLY A 321
 ATP  A1386 (-2.9A)
ATP  A1386 (-3.8A)
None
None
ATP  A1386 (-3.7A)
 0.78A 3sglA-2bu2A:
undetectable		 3sglA-2bu2A:
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.
2d0v METHANOL
DEHYDROGENASE LARGE
SUBUNIT

(Hyphomicrobium
denitrificans) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		5 GLY A 518
GLY A 478
THR A 479
LEU A 480
GLY A  56
 None
 1.10A 3sglA-2d0vA:
undetectable		 3sglA-2d0vA:
22.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2exr CYTOKININ
DEHYDROGENASE 7

(Arabidopsis
thaliana) 		PF01565
(FAD_binding_4)
PF09265
(Cytokin-bind) 		5 GLY A  93
GLY A 170
THR A 171
VAL A 109
GLY A  95
 FAD  A 525 (-3.5A)
FAD  A 525 (-3.4A)
FAD  A 525 ( 4.7A)
None
FAD  A 525 (-3.8A)
 1.05A 3sglA-2exrA:
undetectable		 3sglA-2exrA:
22.32
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.
2f7l 455AA LONG
HYPOTHETICAL
PHOSPHO-SUGAR MUTASE

(Sulfurisphaera
tokodaii) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 GLY A 105
THR A  95
ASN A  99
GLY A   6
PHE A   5
 None
 0.98A 3sglA-2f7lA:
2.5		 3sglA-2f7lA:
19.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oy0 METHYLTRANSFERASE

(West Nile virus) 		PF01728
(FtsJ) 		5 GLY A  81
GLY A  83
LYS A 105
ASP A 131
VAL A 132
 SAH  A 301 (-3.0A)
SAH  A 301 (-3.2A)
None
SAH  A 301 (-3.2A)
SAH  A 301 (-3.8A)
 0.78A 3sglA-2oy0A:
6.3		 3sglA-2oy0A:
15.24
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.
2p7k GLYOXALASE FAMILY
PROTEIN

(Listeria
monocytogenes) 		PF00903
(Glyoxalase) 		5 GLY A 104
GLY A 122
THR A 123
LEU A 124
GLY A 102
 None
 1.04A 3sglA-2p7kA:
undetectable		 3sglA-2p7kA:
11.52
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.
2qs8 XAA-PRO DIPEPTIDASE

(Alteromonas
macleodii) 		PF01979
(Amidohydro_1) 		5 GLY A 148
THR A 147
LYS A 206
VAL A 298
GLY A 156
 None
 0.90A 3sglA-2qs8A:
undetectable		 3sglA-2qs8A:
17.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qy6 UPF0209 PROTEIN YFCK

(Escherichia
coli) 		PF05430
(Methyltransf_30) 		9 GLU A  84
GLY A  86
GLY A  88
THR A  89
LEU A  91
ASN A  92
LYS A 122
ASP A 176
GLY A 199
 None
 0.68A 3sglA-2qy6A:
33.3		 3sglA-2qy6A:
33.59
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.
2r09 CYTOHESIN-3

(Mus musculus) 		PF00169
(PH)
PF01369
(Sec7) 		5 GLU A 122
GLY A 121
VAL A 130
GLY A 117
PHE A 156
 None
 0.99A 3sglA-2r09A:
undetectable		 3sglA-2r09A:
17.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vlc TYPE 2
RIBOSOME-INACTIVATIN
G PROTEIN CINNAMOMIN
III

(Cinnamomum
camphora) 		PF00161
(RIP)
PF00652
(Ricin_B_lectin) 		5 GLY A 415
GLY A 300
VAL A 391
GLY A 381
PHE A 377
 None
 1.07A 3sglA-2vlcA:
undetectable		 3sglA-2vlcA:
21.31
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.
2x05 EXO-BETA-D-GLUCOSAMI
NIDASE

(Amycolatopsis
orientalis) 		PF00703
(Glyco_hydro_2)
PF02837
(Glyco_hydro_2_N) 		5 GLY A 214
THR A  89
LEU A 369
LYS A 187
ASP A 148
 None
CD  A1907 (-3.4A)
CD  A1907 (-4.9A)
None
None
 1.07A 3sglA-2x05A:
undetectable		 3sglA-2x05A:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xva TELLURITE RESISTANCE
PROTEIN TEHB

(Escherichia
coli) 		PF03848
(TehB) 		5 GLY A  38
GLY A  40
ASN A  44
LYS A  60
ASP A  86
 SFG  A1198 (-4.3A)
SFG  A1198 (-3.2A)
SFG  A1198 (-3.9A)
SFG  A1198 (-3.3A)
SFG  A1198 (-3.9A)
 0.78A 3sglA-2xvaA:
9.7		 3sglA-2xvaA:
14.72
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.
2yr0 HYPOTHETICAL PROTEIN
TTHA0223

(Thermus
thermophilus) 		PF08241
(Methyltransf_11) 		5 GLU A  45
GLY A  47
GLY A  49
THR A  50
ASP A  94
 None
 0.92A 3sglA-2yr0A:
11.4		 3sglA-2yr0A:
17.22
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.
3a8u OMEGA-AMINO
ACID--PYRUVATE
AMINOTRANSFERASE

(Pseudomonas
putida) 		PF00202
(Aminotran_3) 		5 GLY X 163
GLY X 151
ASN X 168
VAL X 179
GLY X 159
 None
 0.99A 3sglA-3a8uX:
undetectable		 3sglA-3a8uX:
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.
3dtn PUTATIVE
METHYLTRANSFERASE
MM_2633

(Methanosarcina
mazei) 		PF13649
(Methyltransf_25) 		5 GLY A  50
GLY A  52
THR A  53
LEU A  55
ASP A  98
 None
 0.45A 3sglA-3dtnA:
6.4		 3sglA-3dtnA:
14.72
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.
3h09 IMMUNOGLOBULIN A1
PROTEASE

(Haemophilus
influenzae) 		PF02395
(Peptidase_S6)
PF03212
(Pertactin) 		5 GLY A 679
GLY A 703
THR A 704
LEU A 705
GLY A 564
 None
 0.99A 3sglA-3h09A:
undetectable		 3sglA-3h09A:
19.71
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.
3jz4 SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE
[NADP+]

(Escherichia
coli) 		PF00171
(Aldedh) 		5 GLY A 328
GLY A  98
THR A  94
LEU A 101
GLY A 318
 None
 1.07A 3sglA-3jz4A:
undetectable		 3sglA-3jz4A:
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.
3lkz NON-STRUCTURAL
PROTEIN 5

(West Nile virus) 		PF01728
(FtsJ) 		5 GLY A  81
GLY A  83
LYS A 105
ASP A 131
VAL A 132
 SFG  A 301 (-3.5A)
SFG  A 301 (-3.3A)
None
SFG  A 301 (-3.1A)
SFG  A 301 (-4.1A)
 0.88A 3sglA-3lkzA:
2.5		 3sglA-3lkzA:
16.69
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.
3ngj DEOXYRIBOSE-PHOSPHAT
E ALDOLASE

(Entamoeba
histolytica) 		PF01791
(DeoC) 		5 GLY A 158
GLY A 160
THR A 161
ASP A  92
GLY A 186
 None
None
None
ZN  A 251 (-3.2A)
None
 1.01A 3sglA-3ngjA:
undetectable		 3sglA-3ngjA:
15.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ps9 TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC

(Escherichia
coli) 		PF01266
(DAO)
PF05430
(Methyltransf_30) 		5 GLU A  64
GLY A  66
GLY A  68
GLY A 179
PHE A 180
 SAM  A 670 (-4.0A)
SAM  A 670 (-3.5A)
SAM  A 670 (-3.2A)
SAM  A 670 (-3.5A)
SAM  A 670 (-3.6A)
 0.79A 3sglA-3ps9A:
58.3		 3sglA-3ps9A:
60.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ps9 TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC

(Escherichia
coli) 		PF01266
(DAO)
PF05430
(Methyltransf_30) 		9 GLU A  64
GLY A  66
GLY A  68
THR A  69
LEU A  71
ASN A  72
LYS A 102
ASP A 156
GLY A 179
 SAM  A 670 (-4.0A)
SAM  A 670 (-3.5A)
SAM  A 670 (-3.2A)
SAM  A 670 (-3.6A)
SAM  A 670 (-3.8A)
SAM  A 670 ( 3.7A)
SAM  A 670 (-4.9A)
SAM  A 670 (-3.5A)
SAM  A 670 (-3.5A)
 0.43A 3sglA-3ps9A:
58.3		 3sglA-3ps9A:
60.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ps9 TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC

(Escherichia
coli) 		PF01266
(DAO)
PF05430
(Methyltransf_30) 		5 GLY A  66
GLY A  68
LYS A 102
ASP A 156
PHE A  24
 SAM  A 670 (-3.5A)
SAM  A 670 (-3.2A)
SAM  A 670 (-4.9A)
SAM  A 670 (-3.5A)
SAM  A 670 ( 4.5A)
 1.06A 3sglA-3ps9A:
58.3		 3sglA-3ps9A:
60.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pvc TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC

(Yersinia pestis) 		PF01266
(DAO)
PF05430
(Methyltransf_30) 		12 GLU A  64
GLY A  66
GLY A  68
THR A  69
LEU A  71
ASN A  72
LYS A 102
TYR A 103
ASP A 156
VAL A 157
GLY A 179
PHE A 180
 None
 0.57A 3sglA-3pvcA:
68.8		 3sglA-3pvcA:
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.
3qqv GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE

(Corynebacterium
glutamicum) 		PF00348
(polyprenyl_synt) 		5 GLY A  73
LEU A 227
ASP A 352
VAL A 351
GLY A 234
 None
 1.06A 3sglA-3qqvA:
undetectable		 3sglA-3qqvA:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r13 DEOXYRIBOSE-PHOSPHAT
E ALDOLASE

(Thermotoga
maritima) 		PF01791
(DeoC) 		5 GLY A 183
GLY A 185
THR A 186
ASP A 117
GLY A 211
 UNL  A 300 ( 4.5A)
None
None
UNL  A 300 ( 4.9A)
UNL  A 300 ( 4.1A)
 1.05A 3sglA-3r13A:
undetectable		 3sglA-3r13A:
16.59
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.
3rio PTSGHI OPERON
ANTITERMINATOR

(Bacillus
subtilis) 		PF00874
(PRD)
PF03123
(CAT_RBD) 		5 GLY A  32
GLY A  34
LEU A  11
ASN A  12
GLY A  30
 None
 1.07A 3sglA-3rioA:
undetectable		 3sglA-3rioA:
12.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tvi ASPARTOKINASE

(Clostridium
acetobutylicum) 		PF00696
(AA_kinase)
PF01842
(ACT) 		5 GLY A 191
THR A 190
LYS A   3
ASP A 201
GLY A 197
 None
 1.01A 3sglA-3tviA:
undetectable		 3sglA-3tviA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uor ABC TRANSPORTER
SUGAR BINDING
PROTEIN

(Xanthomonas
citri) 		PF13416
(SBP_bac_8) 		5 GLY A 294
GLY A 296
LEU A 144
ASP A 203
GLY A 289
 None
 1.08A 3sglA-3uorA:
undetectable		 3sglA-3uorA:
21.97
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.
3vyw MNMC2

(Aquifex
aeolicus) 		PF05430
(Methyltransf_30) 		5 GLY A 104
GLY A 106
ASN A 110
LYS A 134
ASP A 174
 SAM  A 501 (-3.6A)
SAM  A 501 (-3.3A)
SAM  A 501 (-3.6A)
SAM  A 501 (-4.4A)
SAM  A 501 (-3.4A)
 0.67A 3sglA-3vywA:
20.2		 3sglA-3vywA:
17.72
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.
3w9a PUTATIVE
UNCHARACTERIZED
PROTEIN

(Coprinopsis
cinerea) 		no annotation 5 GLY A  79
LEU A  77
ASN A  28
VAL A 219
GLY A 237
 None
 0.92A 3sglA-3w9aA:
undetectable		 3sglA-3w9aA:
16.49
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.
3wmt PROBABLE FERULOYL
ESTERASE B-1

(Aspergillus
oryzae) 		PF07519
(Tannase) 		5 GLY A 182
THR A 145
LEU A 119
VAL A  50
GLY A 178
 None
 1.07A 3sglA-3wmtA:
undetectable		 3sglA-3wmtA:
21.81
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.
4a4p CYTOHESIN1

(Homo sapiens) 		PF01369
(Sec7) 		5 GLU A 122
GLY A 121
VAL A 130
GLY A 117
PHE A 156
 None
 1.06A 3sglA-4a4pA:
undetectable		 3sglA-4a4pA:
13.95
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.
4a9w MONOOXYGENASE

(Stenotrophomonas
maltophilia) 		PF13738
(Pyr_redox_3) 		5 GLY A  15
GLY A  11
LEU A  32
VAL A 336
GLY A  19
 None
FAD  A1353 ( 4.7A)
None
None
None
 1.04A 3sglA-4a9wA:
5.5		 3sglA-4a9wA:
20.52
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.
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima) 		PF03030
(H_PPase) 		5 GLY A 178
GLY A  77
LEU A  67
VAL A 253
GLY A 182
 None
 1.06A 3sglA-4av6A:
undetectable		 3sglA-4av6A:
22.44
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.
4b3i FATTY ACID
BETA-OXIDATION
COMPLEX BETA-CHAIN
FADA

(Mycobacterium
tuberculosis) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 GLY C 263
THR C 364
LEU C 361
VAL C 194
GLY C  16
 None
 0.95A 3sglA-4b3iC:
undetectable		 3sglA-4b3iC:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b46 CELL DIVISION
PROTEIN FTSZ

(Haloferax
volcanii) 		PF00091
(Tubulin) 		5 GLY A 112
GLY A 106
ASP A  71
VAL A  68
GLY A 115
 GDP  A1368 (-3.5A)
GDP  A1368 (-3.6A)
None
None
None
 1.06A 3sglA-4b46A:
2.4		 3sglA-4b46A:
19.86
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.
4b61 ALGINATE PRODUCTION
PROTEIN ALGE

(Pseudomonas
aeruginosa) 		PF13372
(Alginate_exp) 		5 GLY A 333
GLY A 311
THR A 279
LEU A 281
PHE A 366
 None
 1.08A 3sglA-4b61A:
undetectable		 3sglA-4b61A:
19.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b98 BETA-ALANINE--PYRUVA
TE TRANSAMINASE

(Pseudomonas
aeruginosa) 		PF00202
(Aminotran_3) 		5 GLY A 164
GLY A 152
ASN A 169
VAL A 179
GLY A 160
 None
 0.99A 3sglA-4b98A:
undetectable		 3sglA-4b98A:
22.01
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.
4emi TODA

(Pseudomonas
putida) 		PF07992
(Pyr_redox_2)
PF14759
(Reductase_C) 		6 GLY A   9
GLY A  34
THR A  76
LEU A  75
ASP A 275
GLY A  14
 FAD  A 501 (-3.1A)
FAD  A 501 ( 3.4A)
None
None
FAD  A 501 (-2.8A)
None
 1.42A 3sglA-4emiA:
7.9		 3sglA-4emiA:
23.85
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.
4fr2 1,3-PROPANEDIOL
DEHYDROGENASE

(Oenococcus oeni) 		PF00465
(Fe-ADH) 		5 GLU A 149
GLY A 147
GLY A 145
ASN A 179
GLY A 255
 None
 1.06A 3sglA-4fr2A:
undetectable		 3sglA-4fr2A:
20.98
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.
4g4w PEPTIDOGLYCAN-ASSOCI
ATED LIPOPROTEIN

(Acinetobacter
baumannii) 		PF00691
(OmpA) 		5 GLU A 133
GLY A 132
GLY A 117
THR A 116
ASP A  86
 None
 1.04A 3sglA-4g4wA:
undetectable		 3sglA-4g4wA:
10.15
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.
4gc5 DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL

(Mus musculus) 		PF00398
(RrnaAD) 		6 GLU A  61
GLY A  63
GLY A  65
LYS A  86
ASP A 111
VAL A 112
 None
ACT  A 402 (-3.4A)
None
None
None
None
 0.82A 3sglA-4gc5A:
8.6		 3sglA-4gc5A:
17.95
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.
4j6f PUTATIVE ALCOHOL
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 132
GLY A 137
LEU A 145
VAL A  57
GLY A 134
 None
 1.04A 3sglA-4j6fA:
3.8		 3sglA-4j6fA:
19.44
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.
4lec PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21A

(Homo sapiens) 		PF10294
(Methyltransf_16) 		5 GLU A  71
GLY A  73
GLY A  75
THR A  76
LEU A  78
 SAH  A 301 ( 4.7A)
SAH  A 301 (-3.8A)
SAH  A 301 (-3.3A)
None
None
 0.62A 3sglA-4lecA:
9.4		 3sglA-4lecA:
14.99
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.
4lg1 PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21D

(Homo sapiens) 		PF10294
(Methyltransf_16) 		5 GLY A  82
GLY A  79
THR A  78
ASN A 111
VAL A  71
 None
 1.08A 3sglA-4lg1A:
8.4		 3sglA-4lg1A:
15.33
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.
4mla CYTOKININ OXIDASE 2

(Zea mays) 		PF01565
(FAD_binding_4)
PF09265
(Cytokin-bind) 		5 GLY A  97
GLY A 166
THR A 167
VAL A 113
GLY A  99
 FAD  A 601 (-3.4A)
FAD  A 601 (-3.6A)
FAD  A 601 (-4.6A)
None
FAD  A 601 ( 3.5A)
 1.09A 3sglA-4mlaA:
undetectable		 3sglA-4mlaA:
23.44
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.
4mn8 LRR RECEPTOR-LIKE
SERINE/THREONINE-PRO
TEIN KINASE FLS2

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 GLY A 663
GLY A 639
THR A 638
LEU A 660
ASN A 684
 None
 1.06A 3sglA-4mn8A:
undetectable		 3sglA-4mn8A:
21.75
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.
4oal CYTOKININ
DEHYDROGENASE 4

(Zea mays) 		PF01565
(FAD_binding_4)
PF09265
(Cytokin-bind) 		5 GLY A  97
GLY A 178
THR A 179
VAL A 113
GLY A  99
 FAD  A 601 (-3.6A)
FAD  A 601 (-3.7A)
FAD  A 601 (-4.6A)
None
FAD  A 601 (-3.6A)
 1.09A 3sglA-4oalA:
undetectable		 3sglA-4oalA:
22.00
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.
4pue ENDO-1,4-BETA-XYLANA
SE

(Geobacillus
stearothermophilus) 		PF00331
(Glyco_hydro_10) 		5 GLU A 265
THR A  96
TYR A 153
VAL A 313
GLY A 232
 XYP  A 403 (-3.1A)
None
None
None
None
 1.06A 3sglA-4pueA:
undetectable		 3sglA-4pueA:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qyj ALDEHYDE
DEHYDROGENASE

(Pseudomonas
putida) 		PF00171
(Aldedh) 		5 GLY A 341
GLY A 105
THR A 101
LEU A 108
GLY A 331
 None
 0.98A 3sglA-4qyjA:
undetectable		 3sglA-4qyjA:
22.68
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.
4ro5 SAT DOMAIN FROM CAZM

(Chaetomium
globosum) 		PF16073
(SAT) 		5 LEU A 107
TYR A 116
VAL A 162
GLY A 177
PHE A 173
 None
 1.10A 3sglA-4ro5A:
undetectable		 3sglA-4ro5A:
22.05
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.
4tqo METHANOL
DEHYDROGENASE
PROTEIN, LARGE
SUBUNIT

(Methylococcus
capsulatus) 		no annotation 5 GLY B 539
GLY B 499
THR B 500
LEU B 501
GLY B  84
 None
 1.02A 3sglA-4tqoB:
undetectable		 3sglA-4tqoB:
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.
4u0t ADC-7 BETA-LACTAMASE

(Acinetobacter
baumannii) 		PF00144
(Beta-lactamase) 		5 GLY A 318
GLY A 320
THR A 321
LEU A  62
GLY A 202
 None
 1.09A 3sglA-4u0tA:
undetectable		 3sglA-4u0tA:
19.47
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.
4uhm OMEGA AMINO
ACID-PYRUVATE
AMINOTRANSFERASE

(Pseudomonas sp.) 		PF00202
(Aminotran_3) 		5 GLY A 164
GLY A 152
ASN A 169
VAL A 179
GLY A 160
 None
None
CL  A1459 (-3.2A)
None
None
 0.98A 3sglA-4uhmA:
undetectable		 3sglA-4uhmA:
22.16
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.
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacterium
smegmatis) 		PF10017
(Methyltransf_33) 		5 GLU A  84
GLY A  86
GLY A  88
THR A  89
ASP A 141
 SAH  A 801 ( 4.6A)
SAH  A 801 (-3.0A)
SAH  A 801 (-3.2A)
None
SAH  A 801 (-3.7A)
 0.63A 3sglA-4uy6A:
7.7		 3sglA-4uy6A:
20.58
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.
4y7d ALPHA/BETA HYDROLASE
FOLD PROTEIN

(Nakamurella
multipartita) 		PF00561
(Abhydrolase_1) 		5 GLY A 148
THR A 149
LEU A 151
ASP A 137
GLY A 141
 None
 1.06A 3sglA-4y7dA:
undetectable		 3sglA-4y7dA:
19.71
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.
4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E

(Rattus
norvegicus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 GLY A1089
GLY A1131
THR A1130
LEU A1020
GLY A1017
 None
 1.06A 3sglA-4yswA:
undetectable		 3sglA-4yswA:
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.
4yt2 H(2)-FORMING
METHYLENETETRAHYDROM
ETHANOPTERIN
DEHYDROGENASE-RELATE
D PROTEIN MJ1338

(Methanocaldococcus
jannaschii) 		PF03201
(HMD) 		5 GLU A  49
GLY A 161
THR A 162
VAL A  75
GLY A  43
 None
 1.01A 3sglA-4yt2A:
4.4		 3sglA-4yt2A:
18.01
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.
4zas CALS13

(Micromonospora
echinospora) 		PF01041
(DegT_DnrJ_EryC1) 		5 GLY A 209
GLY A  62
THR A  63
TYR A 196
GLY A 199
 None
LLP  A 202 ( 3.5A)
LLP  A 202 ( 3.6A)
None
LLP  A 202 ( 4.3A)
 1.06A 3sglA-4zasA:
undetectable		 3sglA-4zasA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zwl BETAINE-ALDEHYDE
DEHYDROGENASE

(Staphylococcus
aureus) 		PF00171
(Aldedh) 		5 GLY A 329
GLY A  99
THR A  95
LEU A 102
GLY A 319
 None
 1.08A 3sglA-4zwlA:
2.1		 3sglA-4zwlA:
20.77
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.
5aid MEP2

(Candida
albicans) 		PF00909
(Ammonium_transp) 		5 GLY A 372
GLY A 354
THR A 353
LYS A 379
TYR A 383
 None
 0.98A 3sglA-5aidA:
undetectable		 3sglA-5aidA:
20.06
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.
5ccx TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRMT61A

(Homo sapiens) 		PF08704
(GCD14) 		5 GLU A 109
GLY A 111
GLY A 113
ASP A 163
VAL A 164
 None
SAH  A 301 (-3.2A)
SAH  A 301 (-2.9A)
SAH  A 301 (-2.7A)
SAH  A 301 (-4.0A)
 0.56A 3sglA-5ccxA:
12.7		 3sglA-5ccxA:
17.70
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.
5d86 PROBABLE SIDEROPHORE
BIOSYNTHESIS PROTEIN
SBNA

(Staphylococcus
aureus) 		PF00291
(PALP) 		5 GLY A 274
GLY A 270
ASP A 250
VAL A 249
GLY A 257
 None
 0.96A 3sglA-5d86A:
undetectable		 3sglA-5d86A:
18.26
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.
5dz8 BSPA (BSPA_V)

(Streptococcus
agalactiae) 		no annotation 5 GLY A 337
THR A 336
ASP A 356
VAL A 355
GLY A 315
 None
 1.07A 3sglA-5dz8A:
undetectable		 3sglA-5dz8A:
13.04
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.
5ees 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
REDUCTASE

(Corynebacterium
glutamicum) 		PF01113
(DapB_N)
PF05173
(DapB_C) 		5 GLY A   9
THR A  56
ASN A  63
VAL A  19
GLY A  35
 NAP  A 302 (-3.5A)
NAP  A 302 ( 4.2A)
NAP  A 302 ( 3.7A)
None
NAP  A 302 (-3.8A)
 0.87A 3sglA-5eesA:
3.0		 3sglA-5eesA:
17.53
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.
5erg TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRM61

(Saccharomyces
cerevisiae) 		PF08704
(GCD14) 		5 GLU B 116
GLY B 118
GLY B 120
ASP B 168
VAL B 169
 None
SAM  B 401 (-3.4A)
SAM  B 401 (-3.3A)
SAM  B 401 (-3.5A)
SAM  B 401 (-3.7A)
 0.63A 3sglA-5ergB:
undetectable		 3sglA-5ergB:
18.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fkr ENDO-1,4-BETA-GLUCAN
ASE/XYLOGLUCANASE,
PUTATIVE, GLY74A

(Cellvibrio
japonicus) 		no annotation 5 GLU A 416
GLY A 159
GLY A 157
LEU A 274
GLY A 161
 None
 1.07A 3sglA-5fkrA:
undetectable		 3sglA-5fkrA:
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.
5g4i PHOSPHOLYASE

(Paenarthrobacter
aurescens) 		PF00202
(Aminotran_3) 		5 GLY A 261
GLY A 366
LYS A 337
ASP A 333
GLY A 258
 None
None
None
B3P  A1445 (-3.1A)
None
 1.05A 3sglA-5g4iA:
undetectable		 3sglA-5g4iA:
23.08
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.
5mg5 2,4-DIACETYLPHLOROGL
UCINOL BIOSYNTHESIS
PROTEIN PHLC

(Pseudomonas
protegens) 		no annotation 6 GLY C 340
GLY C 344
LEU C 209
ASN C 342
TYR C 189
ASP C 369
 None
 1.41A 3sglA-5mg5C:
undetectable		 3sglA-5mg5C:
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.
5msw THIOESTER REDUCTASE
DOMAIN-CONTAINING
PROTEIN

(Segniliparus
rugosus) 		PF00501
(AMP-binding)
PF00550
(PP-binding) 		5 GLY A 148
GLY A 124
LEU A 259
VAL A 246
GLY A 144
 None
 1.04A 3sglA-5mswA:
undetectable		 3sglA-5mswA:
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.
5nz7 CELLODEXTRIN
PHOSPHORYLASE

(Ruminiclostridium
thermocellum) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		5 GLY A 361
GLY A 363
THR A 364
LEU A 365
GLY A 370
 None
 1.10A 3sglA-5nz7A:
undetectable		 3sglA-5nz7A:
21.42
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.
5thz CURJ

(Moorea
producens) 		no annotation 5 GLU B 203
GLY B 205
GLY B 207
THR B 208
ASP B 255
 None
SAH  B 501 (-3.5A)
SAH  B 501 (-3.3A)
None
SAH  B 501 (-3.9A)
 0.78A 3sglA-5thzB:
11.2		 3sglA-5thzB:
19.91
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.
5uam ULVAN LYASE-PL25

(Pseudoalteromonas
sp. PLSV) 		PF15892
(BNR_4) 		5 GLY A  57
GLY A 462
ASP A  87
GLY A  59
PHE A 120
 None
 1.05A 3sglA-5uamA:
undetectable		 3sglA-5uamA:
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.
5us8 ARGININOSUCCINATE
SYNTHASE

(Bordetella
pertussis) 		PF00764
(Arginosuc_synth) 		5 GLY A 268
GLY A 272
TYR A 370
VAL A 237
GLY A 296
 None
 1.00A 3sglA-5us8A:
3.0		 3sglA-5us8A:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5va8 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Paraburkholderia
phymatum) 		PF13561
(adh_short_C2) 		5 GLU A  25
GLY A  22
VAL A  12
GLY A 229
PHE A 228
 None
 1.08A 3sglA-5va8A:
5.9		 3sglA-5va8A:
16.93
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.
5vbf NAD-DEPENDENT
SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE

(Burkholderia
vietnamiensis) 		PF00171
(Aldedh) 		5 GLY A 330
GLY A 100
THR A  96
LEU A 103
GLY A 320
 None
 1.09A 3sglA-5vbfA:
undetectable		 3sglA-5vbfA:
23.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Arabidopsis
thaliana) 		no annotation 5 GLU A  59
GLY A  61
GLY A  63
ASP A 107
VAL A 108
 None
SAH  A 701 (-3.4A)
SAH  A 701 (-3.5A)
SAH  A 701 (-3.2A)
SAH  A 701 (-3.6A)
 0.75A 3sglA-5wp4A:
6.5		 3sglA-5wp4A:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wp5 PHOSPHOMETHYLETHANOL
AMINE
N-METHYLTRANSFERASE
2

(Arabidopsis
thaliana) 		no annotation 5 GLU A  59
GLY A  61
GLY A  63
ASP A 107
VAL A 108
 None
SAH  A 502 (-3.4A)
SAH  A 502 (-3.5A)
SAH  A 502 (-3.2A)
SAH  A 502 (-3.6A)
 0.69A 3sglA-5wp5A:
6.7		 3sglA-5wp5A:
20.98
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.
5xap PROTEIN TRANSLOCASE
SUBUNIT SECD

(Deinococcus
radiodurans) 		PF02355
(SecD_SecF)
PF07549
(Sec_GG) 		5 GLY A  79
GLY A 131
LEU A  72
ASP A 138
GLY A 288
 None
 0.86A 3sglA-5xapA:
undetectable		 3sglA-5xapA:
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.
5ys3 SUCCINATE-ACETATE
PERMEASE

(Citrobacter
koseri) 		no annotation 5 GLY A 161
GLY A  18
THR A  20
LEU A  24
ASN A  25
 None
None
None
ACT  A 202 ( 4.5A)
ACT  A 202 (-3.9A)
 1.04A 3sglA-5ys3A:
undetectable		 3sglA-5ys3A:
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.
5zbk PUTATIVE CYTOKININ
RIBOSIDE
5'-MONOPHOSPHATE
PHOSPHORIBOHYDROLASE

(Pseudomonas
aeruginosa) 		no annotation 5 GLY A  43
GLY A  49
THR A  50
LEU A  47
LYS A  78
 None
 0.83A 3sglA-5zbkA:
undetectable		 3sglA-5zbkA:
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.
6bbp CYTOHESIN-3,ADP-RIBO
SYLATION FACTOR 6

(Homo sapiens;
Mus musculus) 		no annotation 5 GLU A 122
GLY A 121
VAL A 130
GLY A 117
PHE A 156
 None
 0.99A 3sglA-6bbpA:
undetectable		 3sglA-6bbpA:
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.
6c80 CYTOKININ OXIDASE
LUCKX1.1

(Linum
usitatissimum) 		no annotation 5 GLY A 101
GLY A 176
THR A 177
VAL A 117
GLY A 103
 FAD  A 601 (-3.5A)
FAD  A 601 (-3.5A)
FAD  A 601 ( 4.9A)
None
FAD  A 601 ( 3.9A)
 1.02A 3sglA-6c80A:
undetectable		 3sglA-6c80A:
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.
6co7 PREDICTED PROTEIN

(Nematostella
vectensis) 		no annotation 5 GLY A 328
LEU A 301
VAL A 367
GLY A 335
PHE A 336
 None
 1.09A 3sglA-6co7A:
2.1		 3sglA-6co7A:
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.
6d6y APRA
METHYLTRANSFERASE 2

(Moorea
bouillonii) 		no annotation 5 GLU A 835
GLY A 837
GLY A 839
THR A 840
ASP A 889
 None
SAH  A1102 (-3.5A)
SAH  A1102 (-3.4A)
SAH  A1102 (-4.1A)
SAH  A1102 (-3.5A)
 0.65A 3sglA-6d6yA:
6.5		 3sglA-6d6yA:
undetectable