SIMILAR PATTERNS OF AMINO ACIDS FOR 2OXT_B_SAMB300_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.
1dj2 ADENYLOSUCCINATE
SYNTHETASE

(Arabidopsis
thaliana) 		PF00709
(Adenylsucc_synt) 		5 GLY A 264
GLY A 271
GLY A 269
ILE A 230
VAL A 276
 None
 0.75A 2oxtB-1dj2A:
undetectable		 2oxtB-1dj2A:
20.09
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.
1dj3 ADENYLOSUCCINATE
SYNTHETASE

(Triticum
aestivum) 		PF00709
(Adenylsucc_synt) 		6 GLY A  52
GLY A  87
GLY A  89
THR A 221
LEU A 116
ILE A 218
 None
 1.36A 2oxtB-1dj3A:
undetectable		 2oxtB-1dj3A:
20.49
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.
1dj3 ADENYLOSUCCINATE
SYNTHETASE

(Triticum
aestivum) 		PF00709
(Adenylsucc_synt) 		6 GLY A  53
GLY A  87
GLY A  89
THR A 221
LEU A 116
ILE A 218
 None
 1.41A 2oxtB-1dj3A:
undetectable		 2oxtB-1dj3A:
20.49
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.
1eiz FTSJ

(Escherichia
coli) 		PF01728
(FtsJ) 		5 GLY A  59
GLY A  63
TRP A  65
LEU A  84
LYS A 164
 SAM  A 301 (-3.6A)
SAM  A 301 (-3.9A)
SAM  A 301 (-3.6A)
SAM  A 301 (-4.2A)
SAM  A 301 ( 3.9A)
 0.47A 2oxtB-1eizA:
15.3		 2oxtB-1eizA:
24.24
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.
1fpq ISOLIQUIRITIGENIN
2'-O-METHYLTRANSFERA
SE

(Medicago sativa) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		5 GLY A 217
GLY A 219
GLY A 221
LEU A 241
VAL A 276
 SAM  A1699 (-3.6A)
None
None
SAM  A1699 (-4.2A)
SAM  A1699 ( 4.7A)
 0.86A 2oxtB-1fpqA:
8.5		 2oxtB-1fpqA:
20.95
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.
1j33 COBT

(Thermus
thermophilus) 		PF02277
(DBI_PRT) 		5 GLY A 257
GLY A 305
GLY A 251
LEU A 302
ILE A  85
 None
 0.82A 2oxtB-1j33A:
undetectable		 2oxtB-1j33A:
21.90
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.
1jct GLUCARATE
DEHYDRATASE

(Escherichia
coli) 		PF13378
(MR_MLE_C) 		6 GLY A 418
GLY A  58
GLY A 420
LEU A  65
GLU A  59
ILE A  40
 None
 1.41A 2oxtB-1jctA:
undetectable		 2oxtB-1jctA:
20.83
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.
1o94 TRIMETHYLAMINE
DEHYDROGENASE

(Methylophilus
methylotrophus) 		PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2) 		5 GLY A 488
GLY A 688
GLY A 401
GLY A 398
LEU A 408
 ADP  A1731 (-3.1A)
None
None
ADP  A1731 (-3.4A)
None
 0.84A 2oxtB-1o94A:
4.2		 2oxtB-1o94A:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q5a EP-CADHERIN

(Mus musculus) 		PF00028
(Cadherin) 		5 GLY A 200
GLY A 198
THR A 194
LEU A 146
GLU A 197
 None
 0.00A 2oxtB-1q5aA:
undetectable		 2oxtB-1q5aA:
14.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1r6a GENOME POLYPROTEIN

(Dengue virus) 		PF01728
(FtsJ) 		7 GLY A  58
GLY A  81
GLY A  83
GLY A  85
TRP A  87
THR A 104
GLU A 111
 SAH  A 887 (-3.0A)
SAH  A 887 (-3.6A)
SAH  A 887 (-3.6A)
SAH  A 887 ( 4.3A)
SAH  A 887 (-3.5A)
SAH  A 887 (-4.5A)
None
 0.62A 2oxtB-1r6aA:
39.4		 2oxtB-1r6aA:
48.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1r6a GENOME POLYPROTEIN

(Dengue virus) 		PF01728
(FtsJ) 		7 GLY A  58
GLY A  81
GLY A  83
GLY A  85
TRP A  87
THR A 104
LYS A 181
 SAH  A 887 (-3.0A)
SAH  A 887 (-3.6A)
SAH  A 887 (-3.6A)
SAH  A 887 ( 4.3A)
SAH  A 887 (-3.5A)
SAH  A 887 (-4.5A)
None
 0.55A 2oxtB-1r6aA:
39.4		 2oxtB-1r6aA:
48.70
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.
1urh 3-MERCAPTOPYRUVATE
SULFURTRANSFERASE

(Escherichia
coli) 		PF00581
(Rhodanese) 		6 GLY A 120
GLY A 124
GLU A 211
ILE A  90
HIS A  88
VAL A   6
 None
 1.19A 2oxtB-1urhA:
undetectable		 2oxtB-1urhA:
24.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x1b CRTF-RELATED PROTEIN

(Chlorobaculum
tepidum) 		PF00891
(Methyltransf_2) 		5 GLY A 177
GLY A 179
GLY A 181
LEU A 201
ILE A 228
 SAH  A4261 (-3.8A)
SAH  A4261 (-3.3A)
None
SAH  A4261 (-4.0A)
SAH  A4261 (-3.9A)
 0.78A 2oxtB-1x1bA:
8.2		 2oxtB-1x1bA:
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.
1y56 HYPOTHETICAL PROTEIN
PH1363

(Pyrococcus
horikoshii) 		PF07992
(Pyr_redox_2)
PF13510
(Fer2_4) 		5 GLY A 214
GLY A 363
GLY A 118
GLY A 115
LEU A 125
 ATP  A 801 (-3.5A)
None
None
ATP  A 801 (-3.2A)
None
 0.86A 2oxtB-1y56A:
undetectable		 2oxtB-1y56A:
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.
1yb5 QUINONE
OXIDOREDUCTASE

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  46
GLY A 323
GLY A 160
ILE A 188
VAL A 298
 None
None
NAP  A 801 ( 3.9A)
None
None
 0.73A 2oxtB-1yb5A:
5.0		 2oxtB-1yb5A:
22.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b8e CATION-TRANSPORTING
ATPASE

(Archaeoglobus
fulgidus) 		PF00702
(Hydrolase) 		6 GLY A 646
GLY A 617
GLY A 619
THR A 428
LEU A 429
VAL A 658
 None
 1.00A 2oxtB-2b8eA:
undetectable		 2oxtB-2b8eA:
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.
2cul GLUCOSE-INHIBITED
DIVISION PROTEIN
A-RELATED PROTEIN,
PROBABLE
OXIDOREDUCTASE

(Thermus
thermophilus) 		PF01134
(GIDA) 		6 GLY A 122
GLY A 220
GLY A  15
GLY A  12
THR A  18
LEU A  22
 FAD  A 301 (-3.2A)
None
None
FAD  A 301 (-3.1A)
None
None
 1.30A 2oxtB-2culA:
undetectable		 2oxtB-2culA:
23.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nyu PUTATIVE RIBOSOMAL
RNA
METHYLTRANSFERASE 2

(Homo sapiens) 		PF01728
(FtsJ) 		5 GLY A  30
GLY A  34
TRP A  36
LEU A  63
LYS A 144
 SAM  A 201 (-3.5A)
SAM  A 201 (-3.7A)
SAM  A 201 (-3.9A)
SAM  A 201 (-4.2A)
SAM  A 201 (-3.5A)
 0.65A 2oxtB-2nyuA:
14.7		 2oxtB-2nyuA:
21.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oxt NUCLEOSIDE-2'-O-METH
YLTRANSFERASE

(Meaban virus) 		PF01728
(FtsJ) 		12 GLY A  59
GLY A  82
GLY A  84
GLY A  86
TRP A  88
THR A 105
LEU A 106
GLU A 112
ILE A 133
HIS A 134
VAL A 148
LYS A 184
 SAM  A 300 (-3.1A)
SAM  A 300 (-3.3A)
SAM  A 300 (-3.5A)
SAM  A 300 ( 4.6A)
SAM  A 300 (-3.8A)
SAM  A 300 (-4.6A)
SAM  A 300 (-4.2A)
None
SAM  A 300 (-3.8A)
SAM  A 300 (-4.3A)
SAM  A 300 (-4.2A)
SAM  A 300 ( 4.3A)
 0.48A 2oxtB-2oxtA:
46.1		 2oxtB-2oxtA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oy0 METHYLTRANSFERASE

(West Nile virus) 		PF01728
(FtsJ) 		8 GLY A  58
GLY A  81
GLY A  83
GLY A  85
TRP A  87
THR A 104
GLU A 111
LYS A 182
 SAH  A 301 (-3.4A)
SAH  A 301 (-3.0A)
SAH  A 301 (-3.2A)
SAH  A 301 (-4.3A)
SAH  A 301 (-3.7A)
SAH  A 301 (-4.4A)
SAH  A 301 (-3.5A)
SAH  A 301 ( 4.9A)
 0.69A 2oxtB-2oy0A:
38.6		 2oxtB-2oy0A:
51.69
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.
2ppg PUTATIVE ISOMERASE

(Sinorhizobium
meliloti) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 135
GLY A 375
GLY A 371
LEU A 355
GLU A 377
 None
 0.86A 2oxtB-2ppgA:
undetectable		 2oxtB-2ppgA:
22.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2px5 GENOME POLYPROTEIN
[CONTAINS: CAPSID
PROTEIN C (CORE
PROTEIN)
ENVELOPE PROTEIN M
(MATRIX PROTEIN)
MAJOR ENVELOPE
PROTEIN E
NON-STRUCTURAL
PROTEIN 1 (NS1)
NON-STRUCTURAL
PROTEIN 2A (NS2A)
FLAVIVIRIN PROTEASE
NS2B REGULATORY
SUBUNIT
FLAVIVIRIN PROTEASE
NS3 CATALYTIC
SUBUNIT
NON-STRUCTURAL
PROTEIN 4A (NS4A)
NON-STRUCTURAL
PROTEIN 4B (NS4B)
RNA-DIRECTED RNA
POLYMERASE (EC
2.7.7.48) (NS5)]

(Murray Valley
encephalitis
virus) 		PF01728
(FtsJ) 		8 GLY A  58
GLY A  81
GLY A  83
GLY A  85
TRP A  87
THR A 104
GLU A 111
LYS A 182
 SAH  A 500 (-3.3A)
SAH  A 500 (-3.4A)
SAH  A 500 ( 3.7A)
SAH  A 500 ( 4.6A)
SAH  A 500 (-3.4A)
SAH  A 500 ( 4.6A)
SAH  A 500 ( 3.2A)
None
 0.79A 2oxtB-2px5A:
39.5		 2oxtB-2px5A:
51.31
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.
2uv8 FATTY ACID SYNTHASE
SUBUNIT BETA (FAS1)

(Saccharomyces
cerevisiae) 		PF00698
(Acyl_transf_1)
PF01575
(MaoC_dehydratas)
PF08354
(DUF1729)
PF13452
(MaoC_dehydrat_N)
PF16073
(SAT) 		6 GLY G 161
GLY G 531
GLY G 508
GLY G 511
THR G 532
HIS G 102
 None
 1.46A 2oxtB-2uv8G:
undetectable		 2oxtB-2uv8G:
8.96
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.
2voy CATION-TRANSPORTING
ATPASE

(Archaeoglobus
fulgidus) 		PF00702
(Hydrolase) 		6 GLY I 646
GLY I 617
GLY I 619
THR I 428
LEU I 429
VAL I 658
 None
 1.00A 2oxtB-2voyI:
undetectable		 2oxtB-2voyI:
21.22
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.
2w1q HYALURONOGLUCOSAMINI
DASE

(Clostridium
perfringens) 		PF00754
(F5_F8_type_C) 		6 GLY A 869
GLY A 874
GLY A 872
THR A 937
LEU A 936
ILE A 868
 None
 0.98A 2oxtB-2w1qA:
undetectable		 2oxtB-2w1qA:
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.
2w1q HYALURONOGLUCOSAMINI
DASE

(Clostridium
perfringens) 		PF00754
(F5_F8_type_C) 		6 GLY A 869
GLY A 874
GLY A 873
THR A 937
LEU A 936
ILE A 868
 None
 1.20A 2oxtB-2w1qA:
undetectable		 2oxtB-2w1qA:
23.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2wa2 NON-STRUCTURAL
PROTEIN 5

(Modoc virus) 		PF01728
(FtsJ) 		8 GLY A  59
GLY A  82
GLY A  84
GLY A  86
TRP A  88
THR A 105
LEU A 106
GLU A 112
 SAM  A1248 ( 3.7A)
SAM  A1248 (-3.3A)
SAM  A1248 (-3.4A)
SAM  A1248 (-4.4A)
SAM  A1248 (-3.7A)
SAM  A1248 (-4.5A)
SAM  A1248 (-4.1A)
None
 0.63A 2oxtB-2wa2A:
34.8		 2oxtB-2wa2A:
53.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2wa2 NON-STRUCTURAL
PROTEIN 5

(Modoc virus) 		PF01728
(FtsJ) 		8 GLY A  59
GLY A  82
GLY A  84
GLY A  86
TRP A  88
THR A 105
LEU A 106
LYS A 184
 SAM  A1248 ( 3.7A)
SAM  A1248 (-3.3A)
SAM  A1248 (-3.4A)
SAM  A1248 (-4.4A)
SAM  A1248 (-3.7A)
SAM  A1248 (-4.5A)
SAM  A1248 (-4.1A)
None
 0.60A 2oxtB-2wa2A:
34.8		 2oxtB-2wa2A:
53.21
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.
2x0i MALATE DEHYDROGENASE

(Archaeoglobus
fulgidus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A 162
GLY A 164
THR A 146
ILE A 120
VAL A  96
 None
NAI  A1000 ( 4.1A)
None
None
None
 0.74A 2oxtB-2x0iA:
4.9		 2oxtB-2x0iA:
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.
3dm9 SIGNAL RECOGNITION
PARTICLE RECEPTOR

(Pyrococcus
furiosus) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		5 GLY B 215
GLY B 243
GLY B 135
GLY B 133
THR B 270
 None
None
PO4  B 323 (-3.0A)
PO4  B 323 (-3.9A)
None
 0.71A 2oxtB-3dm9B:
2.0		 2oxtB-3dm9B:
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.
3dou RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J

(Thermoplasma
volcanium) 		PF01728
(FtsJ) 		5 GLY A  46
GLY A  50
TRP A  52
LEU A  68
LYS A 151
 SAM  A   1 (-3.5A)
SAM  A   1 (-3.8A)
SAM  A   1 (-4.0A)
SAM  A   1 (-4.2A)
SAM  A   1 (-3.5A)
 0.57A 2oxtB-3douA:
14.6		 2oxtB-3douA:
18.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3elu METHYLTRANSFERASE

(Wesselsbron
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		8 GLY A  58
GLY A  81
GLY A  83
GLY A  85
TRP A  87
THR A 104
LEU A 105
GLU A 111
 SAM  A4633 ( 3.7A)
SAM  A4633 (-3.2A)
SAM  A4633 (-3.4A)
SAM  A4633 ( 4.3A)
SAM  A4633 (-3.5A)
SAM  A4633 (-4.5A)
SAM  A4633 (-4.1A)
None
 0.83A 2oxtB-3eluA:
38.7		 2oxtB-3eluA:
49.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3elu METHYLTRANSFERASE

(Wesselsbron
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		8 GLY A  58
GLY A  81
GLY A  83
GLY A  85
TRP A  87
THR A 104
LEU A 105
LYS A 182
 SAM  A4633 ( 3.7A)
SAM  A4633 (-3.2A)
SAM  A4633 (-3.4A)
SAM  A4633 ( 4.3A)
SAM  A4633 (-3.5A)
SAM  A4633 (-4.5A)
SAM  A4633 (-4.1A)
None
 0.63A 2oxtB-3eluA:
38.7		 2oxtB-3eluA:
49.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3elu METHYLTRANSFERASE

(Wesselsbron
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		7 GLY A  81
GLY A  83
GLY A  85
THR A 104
LEU A 105
GLU A 111
ILE A 147
 SAM  A4633 (-3.2A)
SAM  A4633 (-3.4A)
SAM  A4633 ( 4.3A)
SAM  A4633 (-4.5A)
SAM  A4633 (-4.1A)
None
SAM  A4633 ( 4.2A)
 1.35A 2oxtB-3eluA:
38.7		 2oxtB-3eluA:
49.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3evc RNA-DIRECTED RNA
POLYMERASE NS5

(Yellow fever
virus) 		PF01728
(FtsJ) 		10 GLY A  58
GLY A  81
GLY A  83
GLY A  85
TRP A  87
THR A 104
LEU A 105
ILE A 132
HIS A 133
LYS A 182
 SAH  A 901 (-3.2A)
SAH  A 901 (-3.4A)
SAH  A 901 (-3.3A)
SAH  A 901 ( 4.4A)
SAH  A 901 (-3.6A)
SAH  A 901 (-4.5A)
SAH  A 901 (-4.0A)
SAH  A 901 (-3.8A)
SAH  A 901 (-4.2A)
None
 0.64A 2oxtB-3evcA:
39.8		 2oxtB-3evcA:
48.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3evc RNA-DIRECTED RNA
POLYMERASE NS5

(Yellow fever
virus) 		PF01728
(FtsJ) 		7 GLY A  58
GLY A  83
GLY A  85
TRP A  87
THR A 104
GLU A 111
LYS A 182
 SAH  A 901 (-3.2A)
SAH  A 901 (-3.3A)
SAH  A 901 ( 4.4A)
SAH  A 901 (-3.6A)
SAH  A 901 (-4.5A)
SAH  A 901 (-3.1A)
None
 0.93A 2oxtB-3evcA:
39.8		 2oxtB-3evcA:
48.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3evc RNA-DIRECTED RNA
POLYMERASE NS5

(Yellow fever
virus) 		PF01728
(FtsJ) 		6 GLY A  81
GLY A  83
GLY A  85
THR A 104
LEU A 105
ILE A 147
 SAH  A 901 (-3.4A)
SAH  A 901 (-3.3A)
SAH  A 901 ( 4.4A)
SAH  A 901 (-4.5A)
SAH  A 901 (-4.0A)
SAH  A 901 ( 4.2A)
 1.39A 2oxtB-3evcA:
39.8		 2oxtB-3evcA:
48.89
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.
3g5l PUTATIVE
S-ADENOSYLMETHIONINE
DEPENDENT
METHYLTRANSFERASE

(Listeria
monocytogenes) 		PF13649
(Methyltransf_25) 		5 GLY A  50
GLY A  52
GLY A  54
LEU A  73
ILE A  97
 None
 0.67A 2oxtB-3g5lA:
9.3		 2oxtB-3g5lA:
23.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gcz POLYPROTEIN

(Yokose virus) 		PF01728
(FtsJ) 		8 GLY A  58
GLY A  81
GLY A  83
GLY A  85
TRP A  87
THR A 104
LEU A 105
GLU A 111
 SAM  A4633 (-3.5A)
SAM  A4633 (-3.4A)
SAM  A4633 (-3.4A)
SAM  A4633 ( 4.3A)
SAM  A4633 (-3.6A)
SAM  A4633 (-4.5A)
SAM  A4633 (-4.0A)
None
 0.78A 2oxtB-3gczA:
40.6		 2oxtB-3gczA:
49.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gcz POLYPROTEIN

(Yokose virus) 		PF01728
(FtsJ) 		8 GLY A  58
GLY A  81
GLY A  83
GLY A  85
TRP A  87
THR A 104
LEU A 105
LYS A 183
 SAM  A4633 (-3.5A)
SAM  A4633 (-3.4A)
SAM  A4633 (-3.4A)
SAM  A4633 ( 4.3A)
SAM  A4633 (-3.6A)
SAM  A4633 (-4.5A)
SAM  A4633 (-4.0A)
SAM  A4633 ( 4.8A)
 0.62A 2oxtB-3gczA:
40.6		 2oxtB-3gczA:
49.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gcz POLYPROTEIN

(Yokose virus) 		PF01728
(FtsJ) 		7 GLY A  81
GLY A  83
GLY A  85
THR A 104
LEU A 105
GLU A 111
ILE A 147
 SAM  A4633 (-3.4A)
SAM  A4633 (-3.4A)
SAM  A4633 ( 4.3A)
SAM  A4633 (-4.5A)
SAM  A4633 (-4.0A)
None
SAM  A4633 ( 4.2A)
 1.33A 2oxtB-3gczA:
40.6		 2oxtB-3gczA:
49.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hg7 D-ISOMER SPECIFIC
2-HYDROXYACID
DEHYDROGENASE FAMILY
PROTEIN

(Aeromonas
salmonicida) 		PF02826
(2-Hacid_dh_C) 		5 GLY A 137
GLY A 159
GLY A 163
GLY A 140
HIS A 154
 None
 0.83A 2oxtB-3hg7A:
5.3		 2oxtB-3hg7A:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hm2 PRECORRIN-6Y
C5,15-METHYLTRANSFER
ASE

(Corynebacterium
diphtheriae) 		no annotation 5 GLY A  80
GLY A  34
GLY A  32
GLY A  30
ILE A  38
 None
 0.87A 2oxtB-3hm2A:
8.5		 2oxtB-3hm2A:
20.47
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.
3htx HEN1

(Arabidopsis
thaliana) 		PF13847
(Methyltransf_31) 		5 GLY A 721
GLY A 723
GLY A 725
ILE A 779
VAL A 797
 SAH  A 951 (-4.3A)
SAH  A 951 (-3.7A)
None
SAH  A 951 (-3.9A)
SAH  A 951 (-3.9A)
 0.63A 2oxtB-3htxA:
8.5		 2oxtB-3htxA:
14.53
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.
3i58 O-METHYLTRANSFERASE

(Streptomyces
carzinostaticus) 		PF00891
(Methyltransf_2) 		5 GLY A 177
GLY A 179
GLY A 181
LEU A 201
VAL A 244
 SAH  A 401 (-3.9A)
SAH  A 401 (-3.6A)
None
SAH  A 401 (-4.4A)
SAH  A 401 ( 4.5A)
 0.78A 2oxtB-3i58A:
7.1		 2oxtB-3i58A:
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.
3js6 UNCHARACTERIZED PARM
PROTEIN

(Staphylococcus
aureus) 		no annotation 5 GLY A  12
GLY A 298
THR A 297
LEU A 189
HIS A 304
 None
 0.87A 2oxtB-3js6A:
undetectable		 2oxtB-3js6A:
21.89
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.
3k9b LIVER
CARBOXYLESTERASE 1

(Homo sapiens) 		PF00135
(COesterase) 		5 GLY A1190
GLY A1143
GLY A1173
LEU A1097
HIS A1468
 None
WW2  A 193 (-3.4A)
None
WW2  A 193 ( 4.9A)
None
 0.81A 2oxtB-3k9bA:
undetectable		 2oxtB-3k9bA:
19.93
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.
3l6r SERINE RACEMASE

(Homo sapiens) 		PF00291
(PALP) 		6 GLY A 164
GLY A 162
GLY A  59
THR A 165
LEU A 168
ILE A 193
 None
None
LLP  A  56 ( 3.9A)
None
None
None
 1.46A 2oxtB-3l6rA:
undetectable		 2oxtB-3l6rA:
23.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lkz NON-STRUCTURAL
PROTEIN 5

(West Nile virus) 		PF01728
(FtsJ) 		8 GLY A  58
GLY A  81
GLY A  83
GLY A  85
TRP A  87
THR A 104
GLU A 111
LYS A 182
 SFG  A 301 (-2.9A)
SFG  A 301 (-3.5A)
SFG  A 301 (-3.3A)
SFG  A 301 ( 4.4A)
SFG  A 301 (-3.7A)
SFG  A 301 ( 4.7A)
SFG  A 301 (-3.7A)
SFG  A 301 ( 4.1A)
 0.66A 2oxtB-3lkzA:
39.7		 2oxtB-3lkzA:
50.00
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.
3meq ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING

(Brucella suis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		6 GLY A 117
GLY A  88
GLY A  67
GLY A 123
GLU A  66
HIS A 137
 None
 1.41A 2oxtB-3meqA:
2.9		 2oxtB-3meqA:
19.19
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.
3mtw L-ARGININE
CARBOXYPEPTIDASE
CC2672

(Caulobacter
vibrioides) 		PF01979
(Amidohydro_1) 		5 GLY A 280
GLY A 258
LEU A 230
GLU A 261
VAL A 267
 None
 0.85A 2oxtB-3mtwA:
undetectable		 2oxtB-3mtwA:
19.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nrn UNCHARACTERIZED
PROTEIN PF1083

(Pyrococcus
furiosus) 		PF01593
(Amino_oxidase) 		5 GLY A  60
GLY A  63
LEU A 183
GLU A  61
ILE A 286
 None
 0.81A 2oxtB-3nrnA:
3.6		 2oxtB-3nrnA:
22.48
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.
3p4s FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT

(Escherichia
coli) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 GLY A 456
GLY A 464
GLY A 462
GLU A 461
ILE A 465
 None
 0.83A 2oxtB-3p4sA:
undetectable		 2oxtB-3p4sA:
16.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q1y LIN2199 PROTEIN

(Listeria
innocua) 		PF00294
(PfkB) 		5 GLY A 248
GLY A  40
GLY A  38
THR A   6
LEU A   7
 None
 0.87A 2oxtB-3q1yA:
undetectable		 2oxtB-3q1yA:
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.
3sti PROTEASE DEGQ

(Escherichia
coli) 		PF13365
(Trypsin_2) 		5 GLY A 149
GLY A 189
GLY A 145
ILE A 201
VAL A  68
 None
 0.87A 2oxtB-3stiA:
undetectable		 2oxtB-3stiA:
18.60
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.
3vc1 GERANYL DIPHOSPHATE
2-C-METHYLTRANSFERAS
E

(Streptomyces
coelicolor) 		PF08241
(Methyltransf_11) 		5 GLY A 105
GLY A 107
GLY A 109
THR A 127
LEU A 128
 SAH  A 302 (-3.4A)
SAH  A 302 (-3.3A)
None
SAH  A 302 (-4.0A)
SAH  A 302 (-4.1A)
 0.83A 2oxtB-3vc1A:
8.1		 2oxtB-3vc1A:
21.58
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.
4dpk MALONYL-COA/SUCCINYL
-COA REDUCTASE

(Sulfurisphaera
tokodaii) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		6 GLY A 311
GLY A 344
GLY A 339
THR A 150
LEU A 122
ILE A 107
 None
 1.28A 2oxtB-4dpkA:
3.0		 2oxtB-4dpkA:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4evi CONIFERYL ALCOHOL
9-O-METHYLTRANSFERAS
E

(Linum
nodiflorum) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		5 GLY A 208
GLY A 210
GLY A 212
LEU A 232
VAL A 269
 SAH  A 401 (-3.6A)
SAH  A 401 ( 3.8A)
None
SAH  A 401 ( 4.4A)
SAH  A 401 ( 4.5A)
 0.78A 2oxtB-4eviA:
8.6		 2oxtB-4eviA:
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.
4f85 GERANYL DIPHOSPHATE
2-C-METHYLTRANSFERAS
E

(Streptomyces
lasaliensis) 		PF02353
(CMAS) 		5 GLY A 113
GLY A 115
GLY A 117
THR A 135
LEU A 136
 None
 0.82A 2oxtB-4f85A:
8.6		 2oxtB-4f85A:
23.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fk1 PUTATIVE THIOREDOXIN
REDUCTASE

(Bacillus
anthracis) 		PF07992
(Pyr_redox_2) 		5 GLY C 111
GLY C 285
GLY C  15
GLY C  12
LEU C  22
 FAD  C 500 (-3.5A)
None
None
FAD  C 500 (-3.2A)
None
 0.82A 2oxtB-4fk1C:
undetectable		 2oxtB-4fk1C:
23.45
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.
4h0a UNCHARACTERIZED
PROTEIN

(Staphylococcus
aureus) 		PF00188
(CAP)
PF14504
(CAP_assoc_N) 		5 GLY A  64
GLY A  62
THR A  65
GLU A  61
ILE A 175
 None
 0.87A 2oxtB-4h0aA:
undetectable		 2oxtB-4h0aA:
20.99
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.
4h7o SERINE
ACETYLTRANSFERASE

(Vibrio cholerae) 		PF00132
(Hexapep)
PF06426
(SATase_N) 		5 GLY A 199
GLY A 217
GLU A 198
ILE A 176
VAL A 170
 None
 0.76A 2oxtB-4h7oA:
undetectable		 2oxtB-4h7oA:
22.36
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.
4htf S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		5 GLY B  52
GLY B  54
GLY B  56
LEU B  74
VAL B 121
 SAM  B 301 (-3.5A)
SAM  B 301 (-3.4A)
None
SAM  B 301 (-4.2A)
SAM  B 301 ( 4.3A)
 0.76A 2oxtB-4htfB:
8.5		 2oxtB-4htfB:
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.
4hxy PLM1

(Streptomyces
sp. HK803) 		PF08659
(KR) 		5 GLY A 363
GLY A 197
GLY A 365
ILE A 189
VAL A 200
 None
None
NDP  A 501 (-3.4A)
None
None
 0.79A 2oxtB-4hxyA:
2.1		 2oxtB-4hxyA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k6m POLYPROTEIN

(Japanese
encephalitis
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		6 GLY A  58
GLY A  81
GLY A  83
GLY A  85
THR A 104
GLU A 111
 SAH  A1001 (-3.1A)
SAH  A1001 (-3.3A)
SAH  A1001 ( 3.7A)
SAH  A1001 (-4.3A)
SAH  A1001 (-4.7A)
SO4  A1011 (-4.9A)
 0.75A 2oxtB-4k6mA:
39.4		 2oxtB-4k6mA:
16.36
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.
4k6m POLYPROTEIN

(Japanese
encephalitis
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		6 GLY A  58
GLY A  81
GLY A  83
GLY A  85
TRP A  87
THR A 104
 SAH  A1001 (-3.1A)
SAH  A1001 (-3.3A)
SAH  A1001 ( 3.7A)
SAH  A1001 (-4.3A)
SAH  A1001 (-3.9A)
SAH  A1001 (-4.7A)
 0.47A 2oxtB-4k6mA:
39.4		 2oxtB-4k6mA:
16.36
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.
4k6m POLYPROTEIN

(Japanese
encephalitis
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		6 GLY A  81
GLY A  83
GLY A  85
THR A 104
GLU A 111
ILE A 147
 SAH  A1001 (-3.3A)
SAH  A1001 ( 3.7A)
SAH  A1001 (-4.3A)
SAH  A1001 (-4.7A)
SO4  A1011 (-4.9A)
SAH  A1001 ( 4.3A)
 1.29A 2oxtB-4k6mA:
39.4		 2oxtB-4k6mA:
16.36
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.
4k6m POLYPROTEIN

(Japanese
encephalitis
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		5 GLY A  81
GLY A  83
GLY A  85
THR A 104
LYS A 182
 SAH  A1001 (-3.3A)
SAH  A1001 ( 3.7A)
SAH  A1001 (-4.3A)
SAH  A1001 (-4.7A)
None
 0.66A 2oxtB-4k6mA:
39.4		 2oxtB-4k6mA:
16.36
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.
4ml9 UNCHARACTERIZED
PROTEIN

(Sebaldella
termitidis) 		PF00977
(His_biosynth) 		6 GLY A 203
GLY A 237
THR A 202
LEU A 200
GLU A 236
HIS A 166
 None
GOL  A 307 ( 4.8A)
None
None
MG  A 301 (-1.9A)
EDO  A 308 (-3.8A)
 1.34A 2oxtB-4ml9A:
undetectable		 2oxtB-4ml9A:
22.96
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.
4mla CYTOKININ OXIDASE 2

(Zea mays) 		PF01565
(FAD_binding_4)
PF09265
(Cytokin-bind) 		6 GLY A 166
GLY A  97
GLY A  99
GLU A 117
ILE A 224
VAL A 164
 FAD  A 601 (-3.6A)
FAD  A 601 (-3.4A)
FAD  A 601 ( 3.5A)
None
FAD  A 601 (-3.9A)
None
 1.38A 2oxtB-4mlaA:
undetectable		 2oxtB-4mlaA:
20.36
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.
4n49 CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1

(Homo sapiens) 		PF01728
(FtsJ) 		6 GLY A 279
GLY A 281
THR A 301
LEU A 302
ILE A 336
LYS A 404
 SAM  A 601 (-3.5A)
SAM  A 601 (-3.6A)
SAM  A 601 (-4.1A)
SAM  A 601 (-4.1A)
SAM  A 601 (-4.1A)
SAM  A 601 ( 4.1A)
 0.66A 2oxtB-4n49A:
16.6		 2oxtB-4n49A:
21.89
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.
4opm LIPASE

(Acinetobacter
baumannii) 		PF12697
(Abhydrolase_6) 		5 GLY A 171
GLY A 146
LEU A  73
ILE A 301
VAL A 167
 15P  A 401 (-3.6A)
None
None
None
None
 0.87A 2oxtB-4opmA:
undetectable		 2oxtB-4opmA:
21.49
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.
4rg1 C9ORF114

(Homo sapiens) 		PF02598
(Methyltrn_RNA_3) 		5 GLY A 320
GLY A 313
GLY A 316
THR A 353
ILE A 357
 None
SAH  A 401 (-4.5A)
SAH  A 401 (-3.3A)
SAH  A 401 (-4.3A)
None
 0.80A 2oxtB-4rg1A:
undetectable		 2oxtB-4rg1A:
20.97
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.
5dx5 METHIONINE
GAMMA-LYASE

(Clostridium
sporogenes) 		PF01053
(Cys_Met_Meta_PP) 		5 GLY A 380
GLY A 218
GLY A 216
GLY A 343
LEU A 255
 None
 0.87A 2oxtB-5dx5A:
undetectable		 2oxtB-5dx5A:
21.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e9q GENOME POLYPROTEIN

(Dengue virus) 		PF01728
(FtsJ) 		6 GLY A  58
GLY A  81
GLY A  83
GLY A  85
TRP A  87
THR A 104
 SAM  A 301 (-3.2A)
SAM  A 301 (-3.3A)
SAM  A 301 (-3.1A)
SAM  A 301 ( 4.4A)
SAM  A 301 (-3.6A)
SAM  A 301 (-4.6A)
 0.31A 2oxtB-5e9qA:
39.3		 2oxtB-5e9qA:
50.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e9q GENOME POLYPROTEIN

(Dengue virus) 		PF01728
(FtsJ) 		6 GLY A  58
GLY A  83
GLY A  85
TRP A  87
THR A 104
GLU A 111
 SAM  A 301 (-3.2A)
SAM  A 301 (-3.1A)
SAM  A 301 ( 4.4A)
SAM  A 301 (-3.6A)
SAM  A 301 (-4.6A)
SAM  A 301 ( 3.4A)
 0.73A 2oxtB-5e9qA:
39.3		 2oxtB-5e9qA:
50.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e9q GENOME POLYPROTEIN

(Dengue virus) 		PF01728
(FtsJ) 		5 GLY A  81
GLY A  83
TRP A  87
THR A 104
LYS A 180
 SAM  A 301 (-3.3A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.6A)
SAM  A 301 (-4.6A)
SAM  A 301 ( 4.8A)
 0.72A 2oxtB-5e9qA:
39.3		 2oxtB-5e9qA:
50.19
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.
5evj ARSENITE
METHYLTRANSFERASE

(Chlamydomonas
reinhardtii) 		PF13847
(Methyltransf_31) 		5 GLY A  91
GLY A  93
GLY A  95
ILE A 150
VAL A 171
 None
 0.69A 2oxtB-5evjA:
6.3		 2oxtB-5evjA:
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.
5gkq ALYGC MUTANT - R241A

(Paraglaciecola
chathamensis) 		PF14592
(Chondroitinas_B) 		6 GLY A 257
GLY A 236
GLY A 262
GLY A 283
THR A 237
LEU A 238
 None
 1.32A 2oxtB-5gkqA:
undetectable		 2oxtB-5gkqA:
18.27
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.
5hxw L-AMINO ACID
DEAMINASE

(Proteus
vulgaris) 		PF01266
(DAO) 		5 GLY A  98
GLY A 437
GLY A 439
THR A 436
ILE A 413
 FAD  A 501 (-3.8A)
16A  A 504 ( 3.8A)
FAD  A 501 (-3.1A)
FAD  A 501 (-4.0A)
16A  A 504 ( 4.1A)
 0.79A 2oxtB-5hxwA:
2.4		 2oxtB-5hxwA:
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.
5i39 L-AMINO ACID
DEAMINASE

(Proteus
vulgaris) 		PF01266
(DAO) 		5 GLY A  98
GLY A 437
GLY A 439
THR A 436
ILE A 413
 FAD  A 501 (-3.7A)
EDO  A 507 ( 3.7A)
FAD  A 501 (-3.2A)
FAD  A 501 (-3.9A)
EDO  A 507 ( 4.3A)
 0.76A 2oxtB-5i39A:
2.9		 2oxtB-5i39A:
20.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ikm NS5 METHYL
TRANSFERASE

(Dengue virus) 		PF01728
(FtsJ) 		7 GLY A  58
GLY A  81
GLY A  83
GLY A  85
TRP A  87
THR A 104
GLU A 111
 SAM  A 311 (-3.3A)
SAM  A 311 (-3.2A)
SAM  A 311 (-3.3A)
SAM  A 311 ( 4.5A)
SAM  A 311 (-3.5A)
SAM  A 311 (-4.5A)
None
 0.51A 2oxtB-5ikmA:
39.0		 2oxtB-5ikmA:
49.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ikm NS5 METHYL
TRANSFERASE

(Dengue virus) 		PF01728
(FtsJ) 		7 GLY A  81
GLY A  83
GLY A  85
TRP A  87
THR A 104
GLU A 111
LYS A 180
 SAM  A 311 (-3.2A)
SAM  A 311 (-3.3A)
SAM  A 311 ( 4.5A)
SAM  A 311 (-3.5A)
SAM  A 311 (-4.5A)
None
None
 0.79A 2oxtB-5ikmA:
39.0		 2oxtB-5ikmA:
49.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jjr GENOME POLYPROTEIN

(Dengue virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		7 GLY A  58
GLY A  81
GLY A  83
GLY A  85
TRP A  87
THR A 104
GLU A 111
 SAH  A1003 (-3.2A)
SAH  A1003 (-3.4A)
SAH  A1003 (-3.5A)
SAH  A1003 ( 4.6A)
SAH  A1003 (-3.4A)
SAH  A1003 (-4.6A)
SAH  A1003 (-3.3A)
 0.67A 2oxtB-5jjrA:
39.1		 2oxtB-5jjrA:
18.09
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.
5jjr GENOME POLYPROTEIN

(Dengue virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		7 GLY A  81
GLY A  83
GLY A  85
TRP A  87
THR A 104
GLU A 111
LYS A 180
 SAH  A1003 (-3.4A)
SAH  A1003 (-3.5A)
SAH  A1003 ( 4.6A)
SAH  A1003 (-3.4A)
SAH  A1003 (-4.6A)
SAH  A1003 (-3.3A)
None
 0.81A 2oxtB-5jjrA:
39.1		 2oxtB-5jjrA:
18.09
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.
5l3q SIGNAL RECOGNITION
PARTICLE RECEPTOR
SUBUNIT ALPHA

(Homo sapiens) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		5 GLY B 523
GLY B 551
GLY B 430
GLY B 428
THR B 588
 GNP  B 705 (-3.7A)
None
GNP  B 705 (-3.1A)
GNP  B 705 (-3.4A)
GNP  B 705 ( 4.6A)
 0.81A 2oxtB-5l3qB:
undetectable		 2oxtB-5l3qB:
18.39
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.
5na4 NADH
DEHYDROGENASE-LIKE
PROTEIN
SAOUHSC_00878

(Staphylococcus
aureus) 		no annotation 6 GLY A 110
GLY A 326
GLY A  17
GLY A  14
THR A  20
LEU A  24
 FAD  A1001 (-3.1A)
None
None
FAD  A1001 (-3.3A)
None
None
 1.34A 2oxtB-5na4A:
2.9		 2oxtB-5na4A:
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.
5nju GENOME POLYPROTEIN

(Zika virus) 		no annotation 7 GLY A  58
GLY A  81
GLY A  83
GLY A  85
TRP A  87
THR A 104
GLU A 111
 SAH  A1001 (-3.3A)
SAH  A1001 (-3.4A)
SAH  A1001 (-3.4A)
SAH  A1001 ( 4.3A)
SAH  A1001 (-3.5A)
SAH  A1001 (-4.4A)
None
 0.65A 2oxtB-5njuA:
38.8		 2oxtB-5njuA:
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.
5nju GENOME POLYPROTEIN

(Zika virus) 		no annotation 7 GLY A  58
GLY A  81
GLY A  83
GLY A  85
TRP A  87
THR A 104
LYS A 182
 SAH  A1001 (-3.3A)
SAH  A1001 (-3.4A)
SAH  A1001 (-3.4A)
SAH  A1001 ( 4.3A)
SAH  A1001 (-3.5A)
SAH  A1001 (-4.4A)
None
 0.54A 2oxtB-5njuA:
38.8		 2oxtB-5njuA:
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.
5nju GENOME POLYPROTEIN

(Zika virus) 		no annotation 6 GLY A  81
GLY A  83
GLY A  85
THR A 104
GLU A 111
ILE A 147
 SAH  A1001 (-3.4A)
SAH  A1001 (-3.4A)
SAH  A1001 ( 4.3A)
SAH  A1001 (-4.4A)
None
SAH  A1001 (-4.2A)
 1.39A 2oxtB-5njuA:
38.8		 2oxtB-5njuA:
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.
5odr HETERODISULFIDE
REDUCTASE, SUBUNIT A

(Methanothermococcus
thermolithotrophicus) 		PF07992
(Pyr_redox_2)
PF13187
(Fer4_9) 		6 GLY A 329
GLY A 554
GLY A 155
GLY A 152
THR A 158
LEU A 162
 FAD  A 701 (-3.1A)
None
None
FAD  A 701 (-3.4A)
None
None
 1.27A 2oxtB-5odrA:
3.6		 2oxtB-5odrA:
18.68
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.
5tmh POLYPROTEIN

(Zika virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		6 GLY A  58
GLY A  81
GLY A  83
GLY A  85
THR A 104
GLU A 111
 SAH  A1001 (-3.2A)
SAH  A1001 (-3.4A)
SAH  A1001 ( 3.8A)
SAH  A1001 ( 4.9A)
SAH  A1001 ( 4.9A)
None
 0.86A 2oxtB-5tmhA:
38.2		 2oxtB-5tmhA:
17.08
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.
5tmh POLYPROTEIN

(Zika virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		7 GLY A  58
GLY A  81
GLY A  83
GLY A  85
TRP A  87
THR A 104
LYS A 182
 SAH  A1001 (-3.2A)
SAH  A1001 (-3.4A)
SAH  A1001 ( 3.8A)
SAH  A1001 ( 4.9A)
SAH  A1001 (-3.5A)
SAH  A1001 ( 4.9A)
None
 0.66A 2oxtB-5tmhA:
38.2		 2oxtB-5tmhA:
17.08
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.
5tmh POLYPROTEIN

(Zika virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		6 GLY A  81
GLY A  83
GLY A  85
THR A 104
GLU A 111
ILE A 147
 SAH  A1001 (-3.4A)
SAH  A1001 ( 3.8A)
SAH  A1001 ( 4.9A)
SAH  A1001 ( 4.9A)
None
SAH  A1001 ( 4.8A)
 1.40A 2oxtB-5tmhA:
38.2		 2oxtB-5tmhA:
17.08
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.
5w3j TUBULIN BETA CHAIN

(Saccharomyces
cerevisiae) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		6 GLY B  98
GLY B 148
GLY B 146
GLY B 104
THR B 149
ILE B 135
 GDP  B 501 (-4.4A)
None
None
None
None
None
 1.22A 2oxtB-5w3jB:
undetectable		 2oxtB-5w3jB:
18.48
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.
5wx1 SERINE PROTEASE NS3

(Pestivirus C) 		PF00271
(Helicase_C)
PF05578
(Peptidase_S31)
PF07652
(Flavi_DEAD) 		5 GLY A 231
GLY A 229
GLU A 235
ILE A 254
VAL A 263
 None
 0.82A 2oxtB-5wx1A:
undetectable		 2oxtB-5wx1A:
18.97
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.
5xdy HEAT SHOCK PROTEIN
HTRA

(Mycobacterium
tuberculosis) 		no annotation 6 GLY A 343
GLY A 389
GLY A 339
GLY A 385
ILE A 401
VAL A 257
 GOL  A 601 (-3.4A)
None
GOL  A 601 ( 4.9A)
GOL  A 601 ( 3.7A)
None
None
 1.48A 2oxtB-5xdyA:
undetectable		 2oxtB-5xdyA:
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.
5yh1 -

(-) 		no annotation 5 GLY A 499
GLY A 525
GLY A 527
THR A 497
LEU A 496
 None
 0.86A 2oxtB-5yh1A:
undetectable		 2oxtB-5yh1A:
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.
6fea NITROGENASE PROTEIN
ALPHA CHAIN

(Azotobacter
vinelandii) 		no annotation 6 GLY A  59
GLY A 237
GLY A 239
THR A 217
LEU A 220
LYS A  83
 None
None
None
None
None
D6N  A 502 (-3.1A)
 1.41A 2oxtB-6feaA:
2.1		 2oxtB-6feaA:
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.
6gkv COCLAURINE
N-METHYLTRANSFERASE

(Coptis japonica) 		no annotation 5 GLY A 137
GLY A 139
GLY A 141
THR A 160
ILE A 188
 SAH  A 501 (-3.5A)
SAH  A 501 (-3.1A)
None
SAH  A 501 ( 4.8A)
SAH  A 501 (-3.9A)
 0.73A 2oxtB-6gkvA:
7.6		 2oxtB-6gkvA:
undetectable