SIMILAR PATTERNS OF AMINO ACIDS FOR 2OXT_B_SAMB300

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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1aqz RESTRICTOCIN

(Aspergillus
restrictus) 		no annotation 4 SER A  39
GLY A  41
HIS A  35
ASP A 108
 None
 1.11A 2oxtB-1aqzA:
undetectable		 2oxtB-1aqzA:
18.59
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.
1clw TAILSPIKE PROTEIN

(Salmonella
virus P22) 		PF09251
(PhageP22-tail) 		4 SER A 586
GLY A 582
ASP A 602
ASP A 556
 None
 0.99A 2oxtB-1clwA:
undetectable		 2oxtB-1clwA:
19.15
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.
1eiz FTSJ

(Escherichia
coli) 		PF01728
(FtsJ) 		4 SER A  33
GLY A  64
ASP A  99
ASP A 124
 SAM  A 301 ( 4.6A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.5A)
SAM  A 301 (-3.6A)
 0.78A 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.
1i6q LACTOFERRIN

(Camelus
dromedarius) 		PF00405
(Transferrin) 		4 SER A 316
GLY A  68
HIS A 253
ASP A  66
 None
 1.02A 2oxtB-1i6qA:
undetectable		 2oxtB-1i6qA:
16.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1naa CELLOBIOSE
DEHYDROGENASE

(Phanerochaete
chrysosporium) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 GLY A 310
HIS A 350
ASP A 382
ASP A 397
 6FA  A 801 (-3.4A)
None
None
None
 1.10A 2oxtB-1naaA:
2.3		 2oxtB-1naaA:
20.15
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.
1nhw ENOYL-ACYL CARRIER
REDUCTASE
ENOYL-ACYL CARRIER
REDUCTASE

(Plasmodium
falciparum;
Plasmodium
falciparum) 		PF13561
(adh_short_C2)
PF13561
(adh_short_C2) 		4 SER C 388
GLY A 114
ASP A 156
ASP A 150
 None
 1.13A 2oxtB-1nhwC:
undetectable		 2oxtB-1nhwC:
13.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nr9 PROTEIN YCGM

(Escherichia
coli) 		PF01557
(FAA_hydrolase) 		4 SER A 131
GLY A  97
HIS A  69
ASP A 194
 None
 0.95A 2oxtB-1nr9A:
undetectable		 2oxtB-1nr9A:
22.10
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.
1ofe FERREDOXIN-DEPENDENT
GLUTAMATE SYNTHASE 2

(Synechocystis
sp. PCC 6803) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		4 SER A 947
GLY A 976
ASP A 327
ASP A 508
 None
 1.11A 2oxtB-1ofeA:
undetectable		 2oxtB-1ofeA:
10.69
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.
1qgu PROTEIN (NITROGENASE
MOLYBDENUM IRON
PROTEIN)

(Klebsiella
pneumoniae) 		PF00148
(Oxidored_nitro) 		4 SER A 191
HIS A 360
ASP A 391
ASP A 383
 None
 1.04A 2oxtB-1qguA:
undetectable		 2oxtB-1qguA:
20.00
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) 		5 SER A  56
GLY A  86
HIS A 110
ASP A 131
ASP A 146
 SAH  A 887 ( 2.8A)
SAH  A 887 (-3.3A)
SO4  A 901 ( 3.9A)
SAH  A 887 ( 3.3A)
SAH  A 887 (-3.9A)
 0.46A 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.
1u1h 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Arabidopsis
thaliana) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		4 SER A 439
GLY A 734
ASP A 666
ASP A 605
 MET  A 772 (-2.8A)
MET  A 772 (-3.2A)
None
MET  A 772 (-3.8A)
 1.09A 2oxtB-1u1hA:
undetectable		 2oxtB-1u1hA:
16.85
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.
1ued P450 MONOOXYGENASE

(Amycolatopsis
orientalis) 		PF00067
(p450) 		4 SER A 290
GLY A 348
HIS A  59
ASP A 307
 None
 0.66A 2oxtB-1uedA:
undetectable		 2oxtB-1uedA:
19.23
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.
1uwy CARBOXYPEPTIDASE M

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF13620
(CarboxypepD_reg) 		4 SER A 197
GLY A 186
HIS A 322
ASP A 250
 None
 0.91A 2oxtB-1uwyA:
undetectable		 2oxtB-1uwyA:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wle SERYL-TRNA
SYNTHETASE

(Bos taurus) 		PF00587
(tRNA-synt_2b) 		4 SER A 347
GLY A 343
ASP A 293
ASP A 410
 None
 1.10A 2oxtB-1wleA:
undetectable		 2oxtB-1wleA:
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.
1xvx YFUA

(Yersinia
enterocolitica) 		PF13343
(SBP_bac_6) 		4 GLY A 212
HIS A 197
ASP A 144
ASP A 203
 None
None
FE  A 313 (-2.6A)
None
 1.03A 2oxtB-1xvxA:
undetectable		 2oxtB-1xvxA:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yga HYPOTHETICAL 37.9
KDA PROTEIN IN
BIO3-HXT17
INTERGENIC REGION

(Saccharomyces
cerevisiae) 		PF01263
(Aldose_epim) 		4 GLY A  64
HIS A  82
ASP A 167
ASP A 126
 None
 1.06A 2oxtB-1ygaA:
undetectable		 2oxtB-1ygaA:
23.58
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.
1ynb HYPOTHETICAL PROTEIN
AF1432

(Archaeoglobus
fulgidus) 		PF13023
(HD_3) 		4 SER A  26
GLY A  27
HIS A  74
ASP A 122
 None
 1.14A 2oxtB-1ynbA:
undetectable		 2oxtB-1ynbA:
18.04
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.
1z2i MALATE DEHYDROGENASE

(Agrobacterium
tumefaciens) 		PF02615
(Ldh_2) 		4 SER A 210
GLY A 214
HIS A 163
ASP A 157
 None
 1.04A 2oxtB-1z2iA:
undetectable		 2oxtB-1z2iA:
22.28
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.
2azn PUTATIVE
5-AMINO-6-(5-PHOSPHO
RIBOSYLAMINO)URACIL
REDUCTASE

(Methanocaldococcus
jannaschii) 		PF01872
(RibD_C) 		4 GLY A 156
HIS A  42
ASP A  97
ASP A  61
 NAP  A2001 (-3.3A)
None
None
NAP  A2001 (-3.1A)
 0.93A 2oxtB-2aznA:
undetectable		 2oxtB-2aznA:
21.74
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.
2h92 CYTIDYLATE KINASE

(Staphylococcus
aureus) 		PF02224
(Cytidylate_kin) 		4 SER A  17
GLY A  15
ASP A 168
ASP A 156
 SO4  A1400 (-3.1A)
SO4  A1400 (-3.6A)
None
None
 1.08A 2oxtB-2h92A:
undetectable		 2oxtB-2h92A:
23.16
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.
2iya OLEANDOMYCIN
GLYCOSYLTRANSFERASE

(Streptomyces
antibioticus) 		PF00201
(UDPGT) 		4 SER A 333
GLY A 263
HIS A 368
ASP A 372
 UDP  A1424 (-2.7A)
UDP  A1424 ( 3.9A)
None
None
 1.11A 2oxtB-2iyaA:
2.5		 2oxtB-2iyaA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oq5 TRANSMEMBRANE
PROTEASE, SERINE 11E

(Homo sapiens) 		PF00089
(Trypsin) 		4 SER A  54
GLY A 197
HIS A  99
ASP A 217
 None
 1.02A 2oxtB-2oq5A:
undetectable		 2oxtB-2oq5A:
23.32
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) 		5 SER A  57
GLY A  87
HIS A 111
ASP A 132
ASP A 147
 SAM  A 300 (-2.6A)
SAM  A 300 (-3.2A)
SAM  A 300 (-3.6A)
SAM  A 300 (-3.9A)
SAM  A 300 (-3.9A)
 0.19A 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) 		4 SER A  56
GLY A  86
ASP A 131
ASP A 146
 SAH  A 301 (-3.0A)
SAH  A 301 (-3.0A)
SAH  A 301 (-3.2A)
SAH  A 301 (-4.2A)
 0.46A 2oxtB-2oy0A:
38.6		 2oxtB-2oy0A:
51.69
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) 		4 SER A  56
GLY A  86
HIS A 110
ASP A 146
 SAH  A 301 (-3.0A)
SAH  A 301 (-3.0A)
SAH  A 301 (-4.4A)
SAH  A 301 (-4.2A)
 0.33A 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.
2pmp 2-C-METHYL-D-ERYTHRI
TOL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Arabidopsis
thaliana) 		PF02542
(YgbB) 		4 SER A  38
GLY A  40
ASP A 141
ASP A  11
 ZN  A 500 ( 4.6A)
None
PO4  A 701 (-3.4A)
ZN  A 500 (-2.3A)
 1.08A 2oxtB-2pmpA:
undetectable		 2oxtB-2pmpA:
23.27
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) 		5 SER A  56
GLY A  86
HIS A 110
ASP A 131
ASP A 146
 SAH  A 500 (-2.5A)
SAH  A 500 (-3.2A)
SAH  A 500 (-3.9A)
SAH  A 500 (-3.5A)
SAH  A 500 (-3.6A)
 0.31A 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.
2rag DIPEPTIDASE

(Caulobacter
vibrioides) 		PF01244
(Peptidase_M19) 		4 GLY A  64
HIS A  75
ASP A 372
ASP A  69
 None
 1.10A 2oxtB-2ragA:
undetectable		 2oxtB-2ragA:
20.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME

(Homo sapiens) 		PF01401
(Peptidase_M2) 		4 GLY A 190
HIS A 273
ASP A 177
ASP A 187
 None
 1.15A 2oxtB-2xy9A:
undetectable		 2oxtB-2xy9A:
17.75
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.
2y35 LD22664P

(Drosophila
melanogaster) 		PF03159
(XRN_N) 		4 SER A  84
GLY A 176
HIS A 199
ASP A 182
 None
 1.06A 2oxtB-2y35A:
undetectable		 2oxtB-2y35A:
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.
3bry TBUX

(Ralstonia
pickettii) 		PF03349
(Toluene_X) 		4 SER A  13
GLY A  17
ASP A 334
ASP A 298
 None
 1.07A 2oxtB-3bryA:
undetectable		 2oxtB-3bryA:
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.
3brz TODX

(Pseudomonas
putida) 		PF03349
(Toluene_X) 		4 SER A  13
GLY A  17
ASP A 332
ASP A 298
 None
 1.00A 2oxtB-3brzA:
undetectable		 2oxtB-3brzA:
23.27
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.
3c8u FRUCTOKINASE

(Ruegeria sp.
TM1040) 		no annotation 4 GLY A  59
HIS A  92
ASP A 142
ASP A  83
 None
 1.16A 2oxtB-3c8uA:
undetectable		 2oxtB-3c8uA:
21.61
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.
3e3m TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY

(Ruegeria
pomeroyi) 		PF13377
(Peripla_BP_3) 		4 SER A  89
GLY A 307
ASP A 257
ASP A 302
 None
 0.84A 2oxtB-3e3mA:
2.2		 2oxtB-3e3mA:
22.10
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) 		4 SER A  56
GLY A  86
HIS A 110
ASP A 146
 SAM  A4633 ( 2.7A)
SAM  A4633 (-3.4A)
SAM  A4633 (-3.6A)
SAM  A4633 (-3.7A)
 0.28A 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) 		5 SER A  56
GLY A  86
HIS A 110
ASP A 131
ASP A 146
 SAH  A 901 (-2.6A)
SAH  A 901 (-3.1A)
SAH  A 901 (-3.8A)
SAH  A 901 (-3.7A)
SAH  A 901 (-3.8A)
 0.37A 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.
3gcz POLYPROTEIN

(Yokose virus) 		PF01728
(FtsJ) 		5 SER A  56
GLY A  86
HIS A 110
ASP A 131
ASP A 146
 SAM  A4633 (-2.7A)
SAM  A4633 (-3.2A)
SAM  A4633 (-3.5A)
SAM  A4633 (-3.7A)
SAM  A4633 (-3.7A)
 0.28A 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.
3gq9 PRENECK APPENDAGE
PROTEIN

(Bacillus virus
phi29) 		PF11962
(Peptidase_G2)
PF12708
(Pectate_lyase_3) 		4 SER A 217
GLY A 241
HIS A 286
ASP A 280
 None
None
None
NA  A   1 ( 2.2A)
 1.10A 2oxtB-3gq9A:
undetectable		 2oxtB-3gq9A:
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.
3ld9 THYMIDYLATE KINASE

(Ehrlichia
chaffeensis) 		PF02223
(Thymidylate_kin) 		4 SER A  11
GLY A   7
HIS A 192
ASP A  92
 SO4  A 300 (-4.6A)
None
None
SO4  A 300 ( 4.7A)
 1.06A 2oxtB-3ld9A:
undetectable		 2oxtB-3ld9A:
20.29
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) 		4 SER A  56
GLY A  86
ASP A 131
ASP A 146
 SFG  A 301 (-2.6A)
SFG  A 301 (-3.4A)
SFG  A 301 (-3.1A)
SFG  A 301 (-3.8A)
 0.50A 2oxtB-3lkzA:
39.7		 2oxtB-3lkzA:
50.00
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) 		4 SER A  56
GLY A  86
HIS A 110
ASP A 146
 SFG  A 301 (-2.6A)
SFG  A 301 (-3.4A)
SFG  A 301 (-3.9A)
SFG  A 301 (-3.8A)
 0.22A 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.
3lq1 2-SUCCINYL-5-ENOLPYR
UVYL-6-HYDROXY-3-CYC
LOHEXENE-1-CARBOXYLA
TE SYNTHASE

(Listeria
monocytogenes) 		PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
PF16582
(TPP_enzyme_M_2) 		4 GLY A  81
HIS A 125
ASP A 133
ASP A 107
 None
 0.95A 2oxtB-3lq1A:
2.2		 2oxtB-3lq1A:
18.44
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.
3lye OXALOACETATE ACETYL
HYDROLASE

(Cryphonectria
parasitica) 		PF13714
(PEP_mutase) 		4 GLY A 180
HIS A  79
ASP A  85
ASP A 254
 None
 1.10A 2oxtB-3lyeA:
undetectable		 2oxtB-3lyeA:
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.
3ndp ADENYLATE KINASE
ISOENZYME 4

(Homo sapiens) 		PF00406
(ADK)
PF05191
(ADK_lid) 		4 SER A  16
GLY A  12
ASP A 107
ASP A  88
 SO4  A 501 (-3.3A)
None
None
None
 0.98A 2oxtB-3ndpA:
undetectable		 2oxtB-3ndpA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nro LMO1026 PROTEIN

(Listeria
monocytogenes) 		PF03816
(LytR_cpsA_psr) 		4 SER A 130
GLY A 125
ASP A 305
ASP A 114
 None
 1.14A 2oxtB-3nroA:
undetectable		 2oxtB-3nroA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3obw PROTEIN PELOTA
HOMOLOG

(Sulfolobus
solfataricus) 		PF03463
(eRF1_1)
PF03465
(eRF1_3) 		4 SER A 221
GLY A 226
HIS A  93
ASP A  81
 None
 1.14A 2oxtB-3obwA:
undetectable		 2oxtB-3obwA:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3on9 TUMOUR NECROSIS
FACTOR RECEPTOR

(Ectromelia
virus) 		PF07190
(DUF1406) 		4 SER A 248
GLY A 249
ASP A 281
ASP A 275
 None
 1.06A 2oxtB-3on9A:
undetectable		 2oxtB-3on9A:
20.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pnt IMMUNITY FACTOR FOR
SPN

(Streptococcus
pyogenes) 		PF16718
(IFS) 		4 GLY B  84
HIS B 137
ASP B 152
ASP B 128
 None
 1.11A 2oxtB-3pntB:
undetectable		 2oxtB-3pntB:
20.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pp7 PYRUVATE KINASE

(Leishmania
mexicana) 		PF00224
(PK)
PF02887
(PK_C) 		4 GLY A 119
HIS A 169
ASP A 145
ASP A 173
 None
 1.11A 2oxtB-3pp7A:
undetectable		 2oxtB-3pp7A:
22.93
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.
3pps LACCASE

(Thielavia
arenaria) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 SER A 562
GLY A 513
HIS A  94
ASP A 478
 None
None
CU  A 604 ( 3.1A)
None
 1.02A 2oxtB-3ppsA:
undetectable		 2oxtB-3ppsA:
17.33
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.
3r75 ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I

(Burkholderia
lata) 		PF00117
(GATase)
PF00425
(Chorismate_bind) 		4 SER A 528
GLY A 491
HIS A 514
ASP A 481
 None
 0.88A 2oxtB-3r75A:
2.9		 2oxtB-3r75A:
17.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r7t ADENYLOSUCCINATE
SYNTHETASE

(Campylobacter
jejuni) 		PF00709
(Adenylsucc_synt) 		4 SER A 238
GLY A 243
HIS A 101
ASP A  98
 None
 1.07A 2oxtB-3r7tA:
undetectable		 2oxtB-3r7tA:
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.
3toy MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Bradyrhizobium
sp. ORS 278) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 SER A 200
GLY A 169
ASP A 217
ASP A 196
 None
None
None
CA  A 361 ( 2.9A)
 1.02A 2oxtB-3toyA:
undetectable		 2oxtB-3toyA:
22.63
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.
3tr5 PEPTIDE CHAIN
RELEASE FACTOR 3

(Coxiella
burnetii) 		PF00009
(GTP_EFTU)
PF16658
(RF3_C) 		4 SER A 391
GLY A 435
ASP A 428
ASP A 492
 None
 1.05A 2oxtB-3tr5A:
undetectable		 2oxtB-3tr5A:
18.16
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.
3uof BACTERIOFERRITIN

(Mycobacterium
tuberculosis) 		PF00210
(Ferritin) 		4 SER A 155
HIS A  43
ASP A  90
ASP A  33
 None
 1.13A 2oxtB-3uofA:
undetectable		 2oxtB-3uofA:
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.
3v77 PUTATIVE
FUMARYLACETOACETATE
ISOMERASE/HYDROLASE

(Oleispira
antarctica) 		PF01557
(FAA_hydrolase) 		4 SER A  91
GLY A  77
ASP A 100
ASP A 186
 None
None
ZN  A 301 ( 3.1A)
None
 1.14A 2oxtB-3v77A:
undetectable		 2oxtB-3v77A:
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.
3vkg DYNEIN HEAVY CHAIN,
CYTOPLASMIC

(Dictyostelium
discoideum) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		4 SER A2097
GLY A4345
ASP A4311
ASP A4302
 None
 1.12A 2oxtB-3vkgA:
undetectable		 2oxtB-3vkgA:
6.33
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.
4a1o BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH

(Mycobacterium
tuberculosis) 		PF01808
(AICARFT_IMPCHas)
PF02142
(MGS) 		4 SER A 385
GLY A 369
HIS A 274
ASP A 389
 None
 1.12A 2oxtB-4a1oA:
undetectable		 2oxtB-4a1oA:
18.98
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.
4a35 MITOCHONDRIAL
ENOLASE SUPERFAMILY
MEMBER 1

(Homo sapiens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 SER A 379
HIS A 371
ASP A 128
ASP A 144
 None
 1.15A 2oxtB-4a35A:
undetectable		 2oxtB-4a35A:
22.04
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.
4aca TRANSLATION
ELONGATION FACTOR
SELB

(Methanococcus
maripaludis) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2) 		4 SER A 286
GLY A 372
HIS A 103
ASP A  71
 CMH  A 371 ( 4.5A)
CMH  A 371 ( 2.4A)
None
None
 0.85A 2oxtB-4acaA:
undetectable		 2oxtB-4acaA:
19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bof ARGININE DEIMINASE

(Streptococcus
pyogenes) 		PF02274
(Amidinotransf) 		4 SER A 237
GLY A 235
HIS A 291
ASP A 277
 None
 1.09A 2oxtB-4bofA:
undetectable		 2oxtB-4bofA:
22.52
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.
4cv5 GENERAL NEGATIVE
REGULATOR OF
TRANSCRIPTION
SUBUNIT 1

(Saccharomyces
cerevisiae) 		PF12842
(DUF3819) 		4 SER A1245
GLY A1253
ASP A1132
ASP A1126
 None
 1.14A 2oxtB-4cv5A:
undetectable		 2oxtB-4cv5A:
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.
4dpk MALONYL-COA/SUCCINYL
-COA REDUCTASE

(Sulfurisphaera
tokodaii) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		4 SER A 331
GLY A 157
HIS A 240
ASP A 204
 None
 1.07A 2oxtB-4dpkA:
undetectable		 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.
4dyj BROAD SPECIFICITY
AMINO ACID RACEMASE

(Pseudomonas
putida) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		4 SER A 246
GLY A 263
ASP A 409
ASP A 269
 LLP  A  75 ( 2.6A)
LLP  A  75 ( 3.5A)
SO4  A 503 (-4.6A)
None
 1.04A 2oxtB-4dyjA:
undetectable		 2oxtB-4dyjA:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eud SUCCINYL-COA:ACETATE
COENZYME A
TRANSFERASE

(Acetobacter
aceti) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		4 SER A 315
GLY A 152
HIS A 113
ASP A 344
 None
 1.15A 2oxtB-4eudA:
undetectable		 2oxtB-4eudA:
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.
4hao PROBABLE INORGANIC
POLYPHOSPHATE/ATP-NA
D KINASE

(Yersinia pestis) 		PF01513
(NAD_kinase) 		4 GLY A  12
HIS A  28
ASP A  51
ASP A  46
 None
 1.04A 2oxtB-4haoA:
undetectable		 2oxtB-4haoA:
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.
4hcx ISOCITRATE
DEHYDROGENASE [NADP]

(Mycobacterium
tuberculosis) 		PF00180
(Iso_dh) 		4 SER A 199
GLY A 134
HIS A 251
ASP A 255
 None
 1.15A 2oxtB-4hcxA:
undetectable		 2oxtB-4hcxA:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i0n NECROTIC ENTERITIS
TOXIN B

(Clostridium
perfringens) 		PF07968
(Leukocidin) 		4 SER A  99
GLY A 251
ASP A 210
ASP A 242
 None
None
None
MG  A 403 ( 3.9A)
 1.14A 2oxtB-4i0nA:
undetectable		 2oxtB-4i0nA:
19.54
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.
4k6m POLYPROTEIN

(Japanese
encephalitis
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		5 SER A  56
GLY A  86
HIS A 110
ASP A 131
ASP A 146
 SAH  A1001 (-2.8A)
SAH  A1001 (-3.2A)
SAH  A1001 ( 3.6A)
SAH  A1001 (-3.7A)
SAH  A1001 (-3.6A)
 0.31A 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.
4lan URACIL-5-CARBOXYLATE
DECARBOXYLASE

(Cordyceps
militaris) 		PF04909
(Amidohydro_2) 		4 SER A  92
HIS A  73
ASP A 333
ASP A  85
 None
 0.94A 2oxtB-4lanA:
undetectable		 2oxtB-4lanA:
18.28
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.
4ls3 NICKEL (III) ABC
TRANSPORTER,
PERIPLASMIC
IRON-BINDIN GPROTEIN

(Helicobacter
pylori) 		PF01497
(Peripla_BP_2) 		4 SER A  59
GLY A 285
ASP A 165
ASP A 154
 HIS  A 601 ( 4.8A)
None
None
None
 1.02A 2oxtB-4ls3A:
undetectable		 2oxtB-4ls3A:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nwv CAPSID PROTEIN

(Orsay virus) 		PF11729
(Capsid-VNN) 		4 SER A 133
GLY A  68
HIS A 154
ASP A 188
 None
 1.00A 2oxtB-4nwvA:
undetectable		 2oxtB-4nwvA:
20.10
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.
4nww CAPSID PROTEIN

(Orsay virus) 		PF11729
(Capsid-VNN) 		4 SER A 133
GLY A  68
HIS A 154
ASP A 188
 None
 1.00A 2oxtB-4nwwA:
undetectable		 2oxtB-4nwwA:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pb6 VP1

(Feline
calicivirus) 		PF00915
(Calici_coat) 		4 SER A 384
GLY A 419
ASP A 581
ASP A 422
 None
 1.10A 2oxtB-4pb6A:
undetectable		 2oxtB-4pb6A:
17.97
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.
4r1d UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		no annotation 4 SER A 124
GLY A 149
ASP A 114
ASP A 120
 None
 1.00A 2oxtB-4r1dA:
undetectable		 2oxtB-4r1dA:
18.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r9n LMO0547 PROTEIN

(Listeria
monocytogenes) 		PF04198
(Sugar-bind) 		4 SER A 115
GLY A 208
ASP A 249
ASP A 240
 None
 1.04A 2oxtB-4r9nA:
undetectable		 2oxtB-4r9nA:
22.92
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.
4w6z ALCOHOL
DEHYDROGENASE 1

(Saccharomyces
cerevisiae) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 GLY A 155
HIS A 138
ASP A 132
ASP A 300
 None
 1.05A 2oxtB-4w6zA:
undetectable		 2oxtB-4w6zA:
23.10
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.
4z9n AMINO ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Brucella ovis) 		PF00497
(SBP_bac_3) 		4 SER A  47
GLY A 281
HIS A 225
ASP A  40
 None
 0.96A 2oxtB-4z9nA:
undetectable		 2oxtB-4z9nA:
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.
4zoh PUTATIVE
OXIDOREDUCTASE
MOLYBDOPTERIN-BINDIN
G SUBUNIT

(Sulfurisphaera
tokodaii) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		4 SER A 187
GLY A 480
ASP A 553
ASP A 477
 None
 1.13A 2oxtB-4zohA:
undetectable		 2oxtB-4zohA:
17.16
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.
5b57 HEMIN IMPORT
ATP-BINDING PROTEIN
HMUV

(Burkholderia
cenocepacia) 		PF00005
(ABC_tran) 		4 SER C 147
GLY C 148
ASP C 196
ASP C 187
 None
 1.08A 2oxtB-5b57C:
2.2		 2oxtB-5b57C:
21.68
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.
5bnc HEME BINDING PROTEIN
MSMEG_6519

(Mycolicibacterium
smegmatis) 		PF10615
(DUF2470)
PF13883
(Pyrid_oxidase_2) 		4 GLY A  53
HIS A  79
ASP A  75
ASP A  86
 None
EPE  A 302 (-4.4A)
None
None
 0.95A 2oxtB-5bncA:
undetectable		 2oxtB-5bncA:
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.
5c8p MOCVNH3 VARIANT

(Magnaporthe
oryzae) 		PF01476
(LysM)
PF08881
(CVNH) 		4 SER A  44
GLY A 101
HIS A  78
ASP A  90
 None
None
None
NAG  A 201 (-3.8A)
 1.12A 2oxtB-5c8pA:
undetectable		 2oxtB-5c8pA:
21.07
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 SER A  56
GLY A  86
HIS A 110
ASP A 131
ASP A 146
 SAM  A 301 (-2.7A)
SAM  A 301 (-3.1A)
SAM  A 301 ( 3.7A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.8A)
 0.53A 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.
5f9s SERINE--PYRUVATE
AMINOTRANSFERASE

(Homo sapiens) 		PF00266
(Aminotran_5) 		4 SER A 159
GLY A 106
ASP A 167
ASP A 183
 None
None
None
PLP  A 401 (-2.7A)
 1.13A 2oxtB-5f9sA:
undetectable		 2oxtB-5f9sA:
21.36
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.
5gxj FLAVIVIRUS_NS2B,LINK
ER,PEPTIDASE S7

(synthetic
construct;
Zika virus) 		PF00949
(Peptidase_S7)
PF01002
(Flavi_NS2B) 		4 SER A1135
GLY A1151
HIS A1047
ASP A1075
 None
 1.13A 2oxtB-5gxjA:
undetectable		 2oxtB-5gxjA:
25.52
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.
5hsi PUTATIVE
DECARBOXYLASE

(Lactobacillus
brevis) 		PF00282
(Pyridoxal_deC) 		4 SER A 127
GLY A 119
HIS A 153
ASP A 157
 None
 1.02A 2oxtB-5hsiA:
undetectable		 2oxtB-5hsiA:
18.54
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.
5idk GENOME
POLYPROTEIN,SERINE
PROTEASE SUBUNIT
NS2B, SERINE
PROTEASE NS3

(West Nile virus) 		PF00949
(Peptidase_S7)
PF01002
(Flavi_NS2B) 		4 SER A1135
GLY A1151
HIS A1047
ASP A1075
 6A8  A1201 (-1.5A)
6A8  A1201 (-4.2A)
None
6A8  A1201 ( 4.2A)
 1.13A 2oxtB-5idkA:
undetectable		 2oxtB-5idkA:
23.16
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) 		5 SER A  56
GLY A  86
HIS A 110
ASP A 131
ASP A 146
 SAM  A 311 ( 2.7A)
SAM  A 311 (-3.3A)
SAM  A 311 (-4.1A)
MLT  A 313 ( 2.6A)
SAM  A 311 (-3.8A)
 0.50A 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) 		4 SER A  56
GLY A  86
ASP A 131
ASP A 146
 SAH  A1003 (-2.7A)
SAH  A1003 (-3.0A)
SAH  A1003 (-3.0A)
SAH  A1003 (-3.8A)
 0.48A 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) 		4 SER A  56
GLY A  86
HIS A 110
ASP A 146
 SAH  A1003 (-2.7A)
SAH  A1003 (-3.0A)
SAH  A1003 (-3.7A)
SAH  A1003 (-3.8A)
 0.24A 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.
5nju GENOME POLYPROTEIN

(Zika virus) 		no annotation 5 SER A  56
GLY A  86
HIS A 110
ASP A 131
ASP A 146
 SAH  A1001 (-2.6A)
SAH  A1001 (-3.3A)
SAH  A1001 (-4.0A)
SAH  A1001 (-3.9A)
SAH  A1001 (-3.7A)
 0.22A 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.
5ouo PERFORIN-LIKE
PROTEIN 1

(Toxoplasma
gondii) 		no annotation 4 GLY A 933
HIS A 990
ASP A1001
ASP A 936
 None
 1.15A 2oxtB-5ouoA:
undetectable		 2oxtB-5ouoA:
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.
5t9g GLYCOSIDE HYDROLASE

(Bacteroides
uniformis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		4 SER A 171
GLY A  86
HIS A 321
ASP A 164
 None
 1.08A 2oxtB-5t9gA:
undetectable		 2oxtB-5t9gA:
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.
5tf4 ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADH]

(Bartonella
henselae) 		PF13561
(adh_short_C2) 		4 SER A 139
GLY A 142
ASP A 230
ASP A 238
 None
 1.14A 2oxtB-5tf4A:
5.5		 2oxtB-5tf4A:
25.23
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.
5tmh POLYPROTEIN

(Zika virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		5 SER A  56
GLY A  86
HIS A 110
ASP A 131
ASP A 146
 SAH  A1001 (-2.5A)
SAH  A1001 (-3.6A)
SAH  A1001 (-3.6A)
SAH  A1001 (-4.0A)
SAH  A1001 (-3.8A)
 0.48A 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.
5xd7 3,6-ANHYDRO-ALPHA-L-
GALACTONATE
CYCLOISOMERASE

(Vibrio sp. EJY3) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 SER A 202
GLY A 171
ASP A 219
ASP A 198
 None
None
None
MG  A 402 (-2.9A)
 1.09A 2oxtB-5xd7A:
undetectable		 2oxtB-5xd7A:
21.32
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.
5zvt CORE PROTEIN VP6

(Aquareovirus C) 		no annotation 4 SER U 151
GLY U 154
HIS U 158
ASP U 327
 None
 0.99A 2oxtB-5zvtU:
undetectable		 2oxtB-5zvtU:
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.
6eks SIALIDASE

(Vibrio cholerae) 		no annotation 4 SER A 253
GLY A 575
ASP A 373
ASP A 318
 None
CA  A 903 ( 3.9A)
None
G39  A 908 ( 4.2A)
 1.13A 2oxtB-6eksA:
undetectable		 2oxtB-6eksA:
15.70
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.
6f5d ATP SYNTHASE SUBUNIT
BETA

(Trypanosoma
brucei) 		no annotation 4 SER D 470
GLY D 466
ASP D 378
ASP D 441
 None
 1.14A 2oxtB-6f5dD:
undetectable		 2oxtB-6f5dD:
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.
6fv5 QUEUINE
TRNA-RIBOSYLTRANSFER
ASE ACCESSORY
SUBUNIT 2

(Mus musculus) 		no annotation 4 SER A 163
GLY A 195
ASP A 225
ASP A 220
 None
 1.06A 2oxtB-6fv5A:
undetectable		 2oxtB-6fv5A:
undetectable