SIMILAR PATTERNS OF AMINO ACIDS FOR 2OXT_C_SAMC300

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.
1dm3 BIOSYNTHETIC
THIOLASE ACETYLATED
AT CYS89

(Zoogloea
ramigera) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 GLY A  90
GLY A 354
GLY A 114
ILE A 379
VAL A 385
 SCY  A  89 ( 2.4A)
SCY  A  89 ( 4.6A)
None
SCY  A  89 ( 4.6A)
None
 0.96A 2oxtC-1dm3A:
undetectable		 2oxtC-1dm3A:
22.59
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.
1eg7 FORMYLTETRAHYDROFOLA
TE SYNTHETASE

(Moorella
thermoacetica) 		PF01268
(FTHFS) 		5 GLY A1305
GLY A1309
GLY A1281
GLU A1311
HIS A1340
 None
 0.94A 2oxtC-1eg7A:
3.0		 2oxtC-1eg7A:
20.11
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.
1eiz FTSJ

(Escherichia
coli) 		PF01728
(FtsJ) 		6 GLY A  59
GLY A  64
TRP A  65
LEU A  84
ASP A 124
LYS A 164
 SAM  A 301 (-3.6A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.6A)
SAM  A 301 (-4.2A)
SAM  A 301 (-3.6A)
SAM  A 301 ( 3.9A)
 0.49A 2oxtC-1eizA:
15.3		 2oxtC-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.
1elt ELASTASE

(Salmo salar) 		PF00089
(Trypsin) 		5 GLY A  44
GLY A 196
GLY A 211
ILE A  31
VAL A  52
 None
 1.01A 2oxtC-1eltA:
undetectable		 2oxtC-1eltA:
15.85
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.
1grw MAJOR SPERM PROTEIN
31/40/142

(Caenorhabditis
elegans) 		PF00635
(Motile_Sperm) 		5 GLY A  42
TRP A  93
LEU A  69
GLU A  66
ILE A  31
 None
 0.94A 2oxtC-1grwA:
undetectable		 2oxtC-1grwA:
17.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hyl HYPODERMA LINEATUM
COLLAGENASE

(Hypoderma
lineatum) 		PF00089
(Trypsin) 		5 GLY A  44
GLY A 197
GLY A 193
TRP A  41
ILE A  52
 None
 0.92A 2oxtC-1hylA:
undetectable		 2oxtC-1hylA:
19.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jft PURINE NUCLEOTIDE
SYNTHESIS REPRESSOR

(Escherichia
coli) 		PF00356
(LacI)
PF13377
(Peripla_BP_3) 		5 GLY A 165
GLY A 195
LEU A 325
GLU A 164
ILE A 272
 None
 1.02A 2oxtC-1jftA:
2.5		 2oxtC-1jftA:
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.
1jrm CONSERVED
HYPOTHETICAL PROTEIN
MTH637

(Methanothermobacter
thermautotrophicus) 		PF02594
(DUF167) 		5 GLY A  87
GLY A  85
LEU A  92
GLU A   9
VAL A  16
 None
 0.88A 2oxtC-1jrmA:
undetectable		 2oxtC-1jrmA:
17.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kz1 6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE

(Schizosaccharomyces
pombe) 		PF00885
(DMRL_synthase) 		5 GLY A  83
GLY A 120
GLY A 143
ILE A  69
VAL A 117
 None
 0.98A 2oxtC-1kz1A:
undetectable		 2oxtC-1kz1A:
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.
1leo NUCLEOSIDE
DIPHOSPHATE KINASE

(Dictyostelium
discoideum) 		PF00334
(NDK) 		5 GLY A  86
GLY A  84
GLY A  36
GLU A  83
VAL A  88
 None
 1.00A 2oxtC-1leoA:
undetectable		 2oxtC-1leoA:
23.40
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.
1nj1 PROLINE-TRNA
SYNTHETASE

(Methanothermobacter
thermautotrophicus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		5 GLY A 442
ILE A 453
ASP A 444
VAL A 445
LYS A 448
 None
 0.93A 2oxtC-1nj1A:
undetectable		 2oxtC-1nj1A:
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.
1q5a EP-CADHERIN

(Mus musculus) 		PF00028
(Cadherin) 		5 GLY A 200
GLY A 198
THR A 194
LEU A 146
GLU A 197
 None
 0.51A 2oxtC-1q5aA:
undetectable		 2oxtC-1q5aA:
14.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qzz ACLACINOMYCIN-10-HYD
ROXYLASE

(Streptomyces
purpurascens) 		PF00891
(Methyltransf_2) 		5 GLY A 190
GLY A 192
GLY A 195
LEU A 214
VAL A 257
 SAM  A 635 (-3.8A)
SAM  A 635 (-3.5A)
ACT  A 421 (-3.9A)
SAM  A 635 (-4.2A)
SAM  A 635 ( 4.7A)
 0.80A 2oxtC-1qzzA:
9.0		 2oxtC-1qzzA:
21.01
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) 		8 GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
GLU A 111
ASP A 146
LYS A 181
 SAH  A 887 (-3.6A)
SAH  A 887 (-3.6A)
SAH  A 887 (-3.3A)
SAH  A 887 (-3.5A)
SAH  A 887 (-4.5A)
None
SAH  A 887 (-3.9A)
None
 0.55A 2oxtC-1r6aA:
38.9		 2oxtC-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.
1sh2 RNA POLYMERASE

(Norwalk virus) 		PF00680
(RdRP_1) 		5 GLY A 163
GLY A 120
LEU A 165
ASP A 286
VAL A 287
 None
 1.04A 2oxtC-1sh2A:
undetectable		 2oxtC-1sh2A:
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.
1wkk NUCLEOSIDE
DIPHOSPHATE KINASE

(Thermus
thermophilus) 		PF00334
(NDK) 		5 GLY A  79
GLY A  77
GLY A  29
GLU A  76
VAL A  81
 None
 0.89A 2oxtC-1wkkA:
undetectable		 2oxtC-1wkkA:
18.46
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.
1wyt GLYCINE
DEHYDROGENASE
(DECARBOXYLATING)
SUBUNIT 1
GLYCINE
DEHYDROGENASE
SUBUNIT 2
(P-PROTEIN)

(Thermus
thermophilus;
Thermus
thermophilus) 		PF02347
(GDC-P)
PF02347
(GDC-P) 		5 GLY A 298
GLY A 295
LEU A 107
GLU A 289
ASP B 458
 None
 0.84A 2oxtC-1wytA:
undetectable		 2oxtC-1wytA:
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.
2eez ALANINE
DEHYDROGENASE

(Thermus
thermophilus) 		PF01262
(AlaDh_PNT_C)
PF05222
(AlaDh_PNT_N) 		5 GLY A 259
GLY A 155
GLU A 258
ILE A 262
ASP A 231
 None
 0.90A 2oxtC-2eezA:
4.5		 2oxtC-2eezA:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h1i CARBOXYLESTERASE

(Bacillus cereus) 		PF02230
(Abhydrolase_2) 		5 GLY A   9
ILE A 100
HIS A 126
ASP A  38
VAL A  37
 None
 0.99A 2oxtC-2h1iA:
2.1		 2oxtC-2h1iA:
21.83
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.
2nyu PUTATIVE RIBOSOMAL
RNA
METHYLTRANSFERASE 2

(Homo sapiens) 		PF01728
(FtsJ) 		5 GLY A  30
TRP A  36
LEU A  63
ASP A 104
LYS A 144
 SAM  A 201 (-3.5A)
SAM  A 201 (-3.9A)
SAM  A 201 (-4.2A)
SAM  A 201 (-3.7A)
SAM  A 201 (-3.5A)
 0.60A 2oxtC-2nyuA:
14.7		 2oxtC-2nyuA:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2or0 HYDROXYLASE

(Rhodococcus
jostii) 		PF08028
(Acyl-CoA_dh_2) 		5 GLY A  79
GLY A  75
GLY A 243
THR A  78
HIS A  84
 None
 1.01A 2oxtC-2or0A:
undetectable		 2oxtC-2or0A:
23.42
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  82
GLY A  84
GLY A  87
TRP A  88
THR A 105
LEU A 106
GLU A 112
ILE A 133
HIS A 134
ASP A 147
VAL A 148
LYS A 184
 SAM  A 300 (-3.3A)
SAM  A 300 (-3.5A)
SAM  A 300 (-3.2A)
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 (-3.9A)
SAM  A 300 (-4.2A)
SAM  A 300 ( 4.3A)
 0.37A 2oxtC-2oxtA:
45.0		 2oxtC-2oxtA:
100.00
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) 		7 GLY A  82
GLY A  86
GLU A 112
HIS A 134
ASP A 147
VAL A 148
LYS A 184
 SAM  A 300 (-3.3A)
SAM  A 300 ( 4.6A)
None
SAM  A 300 (-4.3A)
SAM  A 300 (-3.9A)
SAM  A 300 (-4.2A)
SAM  A 300 ( 4.3A)
 1.11A 2oxtC-2oxtA:
45.0		 2oxtC-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) 		7 GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
ASP A 146
LYS A 182
 SAH  A 301 (-3.0A)
SAH  A 301 (-3.2A)
SAH  A 301 (-3.0A)
SAH  A 301 (-3.7A)
SAH  A 301 (-4.4A)
SAH  A 301 (-4.2A)
SAH  A 301 ( 4.9A)
 0.35A 2oxtC-2oy0A:
38.4		 2oxtC-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) 		7 GLY A  83
GLY A  86
TRP A  87
THR A 104
GLU A 111
ASP A 146
LYS A 182
 SAH  A 301 (-3.2A)
SAH  A 301 (-3.0A)
SAH  A 301 (-3.7A)
SAH  A 301 (-4.4A)
SAH  A 301 (-3.5A)
SAH  A 301 (-4.2A)
SAH  A 301 ( 4.9A)
 0.77A 2oxtC-2oy0A:
38.4		 2oxtC-2oy0A:
51.69
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) 		7 GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
ASP A 146
LYS A 182
 SAH  A 500 (-3.4A)
SAH  A 500 ( 3.7A)
SAH  A 500 (-3.2A)
SAH  A 500 (-3.4A)
SAH  A 500 ( 4.6A)
SAH  A 500 (-3.6A)
None
 0.51A 2oxtC-2px5A:
39.3		 2oxtC-2px5A:
51.31
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) 		7 GLY A  83
GLY A  86
TRP A  87
THR A 104
GLU A 111
ASP A 146
LYS A 182
 SAH  A 500 ( 3.7A)
SAH  A 500 (-3.2A)
SAH  A 500 (-3.4A)
SAH  A 500 ( 4.6A)
SAH  A 500 ( 3.2A)
SAH  A 500 (-3.6A)
None
 0.85A 2oxtC-2px5A:
39.3		 2oxtC-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.
2qua EXTRACELLULAR LIPASE

(Serratia
marcescens) 		no annotation 5 GLY A  44
GLY A  39
THR A  52
LEU A  51
VAL A 349
 None
 1.04A 2oxtC-2quaA:
undetectable		 2oxtC-2quaA:
17.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v35 ELASTASE-1

(Sus scrofa) 		PF00089
(Trypsin) 		5 GLY A  44
GLY A 196
GLY A 211
ILE A  31
VAL A  52
 None
 0.97A 2oxtC-2v35A:
undetectable		 2oxtC-2v35A:
23.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vv8 SENSOR PROTEIN FIXL

(Bradyrhizobium
japonicum) 		PF00989
(PAS) 		6 GLY A 251
GLY A 239
GLY A 217
THR A 250
GLU A 240
ILE A 157
 HEM  A1258 (-3.8A)
None
None
None
None
HEM  A1258 (-3.8A)
 1.21A 2oxtC-2vv8A:
undetectable		 2oxtC-2vv8A:
20.93
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  82
GLY A  84
TRP A  88
THR A 105
LEU A 106
GLU A 112
ASP A 147
LYS A 184
 SAM  A1248 (-3.3A)
SAM  A1248 (-3.4A)
SAM  A1248 (-3.7A)
SAM  A1248 (-4.5A)
SAM  A1248 (-4.1A)
None
SAM  A1248 (-3.7A)
None
 0.44A 2oxtC-2wa2A:
34.7		 2oxtC-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.
2wrd HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		5 GLY A  10
GLY A 352
GLY A 349
ILE A 339
VAL A 444
 None
 1.04A 2oxtC-2wrdA:
undetectable		 2oxtC-2wrdA:
20.20
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.
2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF06460
(NSP13) 		5 GLY A  71
GLY A  73
LEU A 100
ASP A 130
LYS A 170
 SAH  A1293 (-3.8A)
SAH  A1293 (-4.1A)
SAH  A1293 (-4.3A)
SAH  A1293 (-3.7A)
None
 0.88A 2oxtC-2xyqA:
10.4		 2oxtC-2xyqA:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ckn PUTATIVE
UNCHARACTERIZED
PROTEIN

(Mycobacterium
avium) 		PF00535
(Glycos_transf_2) 		5 GLY A 239
GLY A 235
GLY A 120
THR A 281
LEU A 282
 None
 1.00A 2oxtC-3cknA:
undetectable		 2oxtC-3cknA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dou RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J

(Thermoplasma
volcanium) 		PF01728
(FtsJ) 		6 GLY A  46
GLY A  51
TRP A  52
LEU A  68
ASP A 111
LYS A 151
 SAM  A   1 (-3.5A)
SAM  A   1 (-3.2A)
SAM  A   1 (-4.0A)
SAM  A   1 (-4.2A)
SAM  A   1 (-3.7A)
SAM  A   1 (-3.5A)
 0.56A 2oxtC-3douA:
14.5		 2oxtC-3douA:
18.15
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.
3dou RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J

(Thermoplasma
volcanium) 		PF01728
(FtsJ) 		5 TRP A  52
LEU A  68
ILE A  84
ASP A 111
LYS A 151
 SAM  A   1 (-4.0A)
SAM  A   1 (-4.2A)
SAM  A   1 (-3.9A)
SAM  A   1 (-3.7A)
SAM  A   1 (-3.5A)
 0.85A 2oxtC-3douA:
14.5		 2oxtC-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  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
LEU A 105
ASP A 146
LYS A 182
 SAM  A4633 (-3.2A)
SAM  A4633 (-3.4A)
SAM  A4633 (-3.4A)
SAM  A4633 (-3.5A)
SAM  A4633 (-4.5A)
SAM  A4633 (-4.1A)
SAM  A4633 (-3.7A)
None
 0.47A 2oxtC-3eluA:
38.5		 2oxtC-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  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
LEU A 105
GLU A 111
ASP A 146
 SAM  A4633 (-3.2A)
SAM  A4633 (-3.4A)
SAM  A4633 (-3.4A)
SAM  A4633 (-3.5A)
SAM  A4633 (-4.5A)
SAM  A4633 (-4.1A)
None
SAM  A4633 (-3.7A)
 0.54A 2oxtC-3eluA:
38.5		 2oxtC-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  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
LEU A 105
ILE A 132
HIS A 133
ASP A 146
LYS A 182
 SAH  A 901 (-3.4A)
SAH  A 901 (-3.3A)
SAH  A 901 (-3.1A)
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)
SAH  A 901 (-3.8A)
None
 0.47A 2oxtC-3evcA:
39.6		 2oxtC-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.
3f7w PUTATIVE
FRUCTOSAMINE-3-KINAS
E

(Thermobifida
fusca) 		PF03881
(Fructosamin_kin) 		6 GLY A 192
GLY A 128
LEU A  67
GLU A  60
ILE A 190
HIS A 112
 None
None
None
EDO  A 293 (-3.5A)
None
None
 1.34A 2oxtC-3f7wA:
undetectable		 2oxtC-3f7wA:
19.40
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  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
LEU A 105
ASP A 146
LYS A 183
 SAM  A4633 (-3.4A)
SAM  A4633 (-3.4A)
SAM  A4633 (-3.2A)
SAM  A4633 (-3.6A)
SAM  A4633 (-4.5A)
SAM  A4633 (-4.0A)
SAM  A4633 (-3.7A)
SAM  A4633 ( 4.8A)
 0.47A 2oxtC-3gczA:
40.4		 2oxtC-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  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
LEU A 105
GLU A 111
ASP A 146
 SAM  A4633 (-3.4A)
SAM  A4633 (-3.4A)
SAM  A4633 (-3.2A)
SAM  A4633 (-3.6A)
SAM  A4633 (-4.5A)
SAM  A4633 (-4.0A)
None
SAM  A4633 (-3.7A)
 0.50A 2oxtC-3gczA:
40.4		 2oxtC-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.
3i58 O-METHYLTRANSFERASE

(Streptomyces
carzinostaticus) 		PF00891
(Methyltransf_2) 		5 GLY A 177
GLY A 179
GLY A 182
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)
 0.85A 2oxtC-3i58A:
5.7		 2oxtC-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.
3krc GERANYL DIPHOSPHATE
SYNTHASE LARGE
SUBUNIT

(Mentha x
piperita) 		PF00348
(polyprenyl_synt) 		5 GLY A 155
GLY A 151
GLU A 150
ILE A 176
HIS A 172
 None
 0.96A 2oxtC-3krcA:
undetectable		 2oxtC-3krcA:
20.83
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  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
GLU A 111
ASP A 146
LYS A 182
 SFG  A 301 (-3.5A)
SFG  A 301 (-3.3A)
SFG  A 301 (-3.4A)
SFG  A 301 (-3.7A)
SFG  A 301 ( 4.7A)
SFG  A 301 (-3.7A)
SFG  A 301 (-3.8A)
SFG  A 301 ( 4.1A)
 0.76A 2oxtC-3lkzA:
39.5		 2oxtC-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.
3msp MAJOR SPERM PROTEIN

(Ascaris suum) 		PF00635
(Motile_Sperm) 		5 GLY A  42
TRP A  93
LEU A  69
GLU A  66
ILE A  31
 None
 0.96A 2oxtC-3mspA:
undetectable		 2oxtC-3mspA:
19.48
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.
3pj9 NUCLEOSIDE
DIPHOSPHATE KINASE

(Campylobacter
jejuni) 		PF00334
(NDK) 		5 GLY A  79
GLY A  77
GLY A  29
GLU A  76
VAL A  81
 None
 1.04A 2oxtC-3pj9A:
undetectable		 2oxtC-3pj9A:
18.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3prv NUCLEOSIDE
DIPHOSPHATE KINASE

(Trypanosoma
cruzi) 		PF00334
(NDK) 		5 GLY A  81
GLY A  79
GLY A  31
GLU A  78
VAL A  83
 None
 0.91A 2oxtC-3prvA:
undetectable		 2oxtC-3prvA:
19.69
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.
3r24 2'-O-METHYL
TRANSFERASE

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF06460
(NSP13) 		5 GLY A  71
GLY A  73
LEU A 100
ASP A 130
LYS A 170
 SAM  A 302 (-3.7A)
SAM  A 302 (-4.1A)
SAM  A 302 (-4.4A)
SAM  A 302 (-3.6A)
SAM  A 302 (-3.1A)
 0.90A 2oxtC-3r24A:
11.1		 2oxtC-3r24A:
23.51
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.
3s7i ALLERGEN ARA H 1,
CLONE P41B

(Arachis
hypogaea) 		PF00190
(Cupin_1) 		5 GLY A 241
LEU A 258
GLU A 260
ILE A 274
VAL A 285
 None
 0.95A 2oxtC-3s7iA:
undetectable		 2oxtC-3s7iA:
18.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uam CHITIN BINDING
DOMAIN

(Burkholderia
pseudomallei) 		PF03067
(LPMO_10) 		5 GLY A  83
GLY A  48
GLY A  71
LEU A  46
GLU A  47
 None
 0.97A 2oxtC-3uamA:
undetectable		 2oxtC-3uamA:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vc1 GERANYL DIPHOSPHATE
2-C-METHYLTRANSFERAS
E

(Streptomyces
coelicolor) 		PF08241
(Methyltransf_11) 		5 GLY A 105
GLY A 107
GLY A 110
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)
 0.74A 2oxtC-3vc1A:
8.7		 2oxtC-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.
3vc7 PUTATIVE
OXIDOREDUCTASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		5 GLY A 130
LEU A 169
GLU A 129
ILE A 133
ASP A  83
 None
 0.99A 2oxtC-3vc7A:
4.9		 2oxtC-3vc7A:
23.96
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.
4a01 PROTON
PYROPHOSPHATASE

(Vigna radiata) 		PF03030
(H_PPase) 		5 GLY A 722
GLY A 726
GLY A 688
ILE A 721
VAL A 448
 None
 0.96A 2oxtC-4a01A:
undetectable		 2oxtC-4a01A:
16.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bem F1FO ATPASE C2
SUBUNIT
F1FO ATPASE C1
SUBUNIT

(Acetobacterium
woodii;
Acetobacterium
woodii) 		PF00137
(ATP-synt_C)
PF00137
(ATP-synt_C) 		5 GLY A  36
GLY A  34
GLY A  30
ILE A  50
VAL J 153
 None
None
None
None
HTG  J1184 ( 4.5A)
 0.98A 2oxtC-4bemA:
undetectable		 2oxtC-4bemA:
16.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cbw ACTIN, ALPHA
SKELETAL MUSCLE,
ACTIN

(Plasmodium
berghei;
synthetic
construct) 		PF00022
(Actin) 		5 GLY A 183
GLY A 159
GLY A  16
LEU A 181
LYS A 207
 ATP  A1379 (-3.6A)
ATP  A1379 (-3.7A)
ATP  A1379 (-3.4A)
None
None
 0.94A 2oxtC-4cbwA:
undetectable		 2oxtC-4cbwA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ddw REVERSE GYRASE

(Thermotoga
maritima) 		PF00270
(DEAD)
PF01131
(Topoisom_bac)
PF01751
(Toprim) 		5 GLY A 673
THR A 667
GLU A 672
ILE A 546
ASP A 679
 None
 1.03A 2oxtC-4ddwA:
undetectable		 2oxtC-4ddwA:
14.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e4s TUMOR NECROSIS
FACTOR LIGAND
SUPERFAMILY MEMBER
18

(Ochotona
princeps) 		no annotation 5 GLY A  41
LEU A 118
ILE A 115
ASP A  94
LYS A  67
 GOL  A 201 ( 4.5A)
None
None
None
None
 1.03A 2oxtC-4e4sA:
undetectable		 2oxtC-4e4sA:
19.22
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.
4f36 NUCLEOSIDE
DIPHOSPHATE KINASE

(Trypanosoma
brucei) 		PF00334
(NDK) 		5 GLY A  81
GLY A  79
GLY A  31
GLU A  78
VAL A  83
 None
 0.96A 2oxtC-4f36A:
undetectable		 2oxtC-4f36A:
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.
4f85 GERANYL DIPHOSPHATE
2-C-METHYLTRANSFERAS
E

(Streptomyces
lasaliensis) 		PF02353
(CMAS) 		5 GLY A 113
GLY A 115
GLY A 118
THR A 135
LEU A 136
 None
 0.69A 2oxtC-4f85A:
8.4		 2oxtC-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.
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
 0.92A 2oxtC-4h0aA:
undetectable		 2oxtC-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.
4h4f CHYMOTRYPSIN-C

(Homo sapiens) 		PF00089
(Trypsin) 		5 GLY A  44
GLY A 196
GLY A 211
ILE A  31
VAL A  52
 None
 0.98A 2oxtC-4h4fA:
undetectable		 2oxtC-4h4fA:
20.32
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.
4jj6 ACETYL XYLAN
ESTERASE

(Geobacillus
stearothermophilus) 		PF13472
(Lipase_GDSL_2) 		5 GLY A 130
GLY A   4
ILE A 131
ASP A  83
VAL A 128
 None
 0.93A 2oxtC-4jj6A:
3.1		 2oxtC-4jj6A:
20.59
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.
4k6m POLYPROTEIN

(Japanese
encephalitis
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		7 GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
ASP A 146
LYS A 182
 SAH  A1001 (-3.3A)
SAH  A1001 ( 3.7A)
SAH  A1001 (-3.2A)
SAH  A1001 (-3.9A)
SAH  A1001 (-4.7A)
SAH  A1001 (-3.6A)
None
 0.66A 2oxtC-4k6mA:
39.1		 2oxtC-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) 		7 GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
GLU A 111
ASP A 146
 SAH  A1001 (-3.3A)
SAH  A1001 ( 3.7A)
SAH  A1001 (-3.2A)
SAH  A1001 (-3.9A)
SAH  A1001 (-4.7A)
SO4  A1011 (-4.9A)
SAH  A1001 (-3.6A)
 0.73A 2oxtC-4k6mA:
39.1		 2oxtC-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.
4kw7 ARSENIC
METHYLTRANSFERASE

(Cyanidioschyzon
sp. 5508) 		PF13847
(Methyltransf_31) 		5 GLY A  95
GLY A  93
GLY A  71
ASP A  97
VAL A  98
 None
 1.01A 2oxtC-4kw7A:
6.6		 2oxtC-4kw7A:
25.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n49 CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1

(Homo sapiens) 		PF01728
(FtsJ) 		7 GLY A 279
GLY A 282
THR A 301
LEU A 302
ILE A 336
ASP A 364
LYS A 404
 SAM  A 601 (-3.5A)
SAM  A 601 (-3.1A)
SAM  A 601 (-4.1A)
SAM  A 601 (-4.1A)
SAM  A 601 (-4.1A)
SAM  A 601 (-3.6A)
SAM  A 601 ( 4.1A)
 0.78A 2oxtC-4n49A:
16.2		 2oxtC-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.
4o99 ACETYL-COA
ACETYLTRANSFERASE

(Cupriavidus
necator) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 GLY A  89
GLY A 355
GLY A 113
ILE A 380
VAL A 386
 None
 0.93A 2oxtC-4o99A:
undetectable		 2oxtC-4o99A:
21.59
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.
4oue PUTATIVE LIPOPROTEIN

(Bacteroides
thetaiotaomicron) 		PF00754
(F5_F8_type_C)
PF01120
(Alpha_L_fucos) 		5 GLY A 236
GLY A 232
ILE A 303
ASP A 277
VAL A 278
 None
None
None
IPT  A 502 (-2.9A)
None
 0.98A 2oxtC-4oueA:
undetectable		 2oxtC-4oueA:
21.19
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.
4qi7 CELLOBIOSE
DEHYDROGENASE

(Neurospora
crassa) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C)
PF16010
(CDH-cyt) 		5 GLY A 448
GLY A 728
GLY A 780
TRP A 803
LEU A 732
 None
None
PT  A 912 ( 4.6A)
None
None
 0.87A 2oxtC-4qi7A:
2.5		 2oxtC-4qi7A:
16.96
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.
4ucl RNA-DIRECTED RNA
POLYMERASE L

(Human
metapneumovirus) 		no annotation 5 GLY A1696
GLY A1698
LEU A1720
ASP A1779
LYS A1817
 None
 0.96A 2oxtC-4uclA:
11.0		 2oxtC-4uclA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uoh NUCLEOSIDE
DIPHOSPHATE KINASE

(Litopenaeus
vannamei) 		PF00334
(NDK) 		5 GLY A  81
GLY A  79
GLY A  31
GLU A  78
VAL A  83
 None
 0.99A 2oxtC-4uohA:
undetectable		 2oxtC-4uohA:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x2r 1-(5-PHOSPHORIBOSYL)
-5-[(5-PHOSPHORIBOSY
LAMINO)METHYLIDENEAM
INO]
IMIDAZOLE-4-CARBOXAM
IDE ISOMERASE

(Actinomyces
urogenitalis) 		PF00977
(His_biosynth) 		5 GLY A 170
GLY A 174
LEU A  18
ASP A 165
VAL A 166
 PO4  A 301 (-3.4A)
None
None
None
None
 1.01A 2oxtC-4x2rA:
undetectable		 2oxtC-4x2rA:
24.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ydo UNCHARACTERIZED
PROTEIN

(Candida
albicans) 		PF00432
(Prenyltrans) 		5 GLY B 297
GLU B 346
ILE B 320
ASP B 343
LYS B 338
 None
 1.03A 2oxtC-4ydoB:
undetectable		 2oxtC-4ydoB:
15.68
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.
4ynn PROTEASE DO

(Legionella
pneumophila) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 GLY A  66
GLY A 192
GLY A 188
ILE A  76
VAL A  22
 None
 0.94A 2oxtC-4ynnA:
undetectable		 2oxtC-4ynnA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a22 VESICULAR STOMATITIS
VIRUS L POLYMERASE

(Vesicular
stomatitis
virus) 		PF00946
(Mononeg_RNA_pol)
PF14314
(Methyltrans_Mon)
PF14318
(Mononeg_mRNAcap) 		5 GLY A1670
GLY A1672
GLY A1675
ASP A1762
LYS A1795
 None
 0.80A 2oxtC-5a22A:
13.3		 2oxtC-5a22A:
8.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a5u EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT I

(Oryctolagus
cuniculus) 		PF00400
(WD40) 		5 GLY I 291
GLY I 271
GLY I 294
GLU I 270
LYS I   5
 None
 0.99A 2oxtC-5a5uI:
undetectable		 2oxtC-5a5uI:
20.11
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.
5c2v HYDRAZINE SYNTHASE
ALPHA SUBUNIT
HYDRAZINE SYNTHASE
BETA SUBUNIT

(Candidatus
Kuenenia
stuttgartiensis;
Candidatus
Kuenenia
stuttgartiensis) 		no annotation
PF02239
(Cytochrom_D1) 		5 GLY B 353
GLY A  34
THR B 379
ILE B 381
VAL B 312
 None
 0.93A 2oxtC-5c2vB:
undetectable		 2oxtC-5c2vB:
22.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e4i CONTACTIN-5

(Mus musculus) 		PF07679
(I-set)
PF13927
(Ig_3) 		5 GLY A 211
GLY A 209
GLY A 295
GLU A 208
VAL A 206
 None
 1.00A 2oxtC-5e4iA:
undetectable		 2oxtC-5e4iA:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e8l HETERODIMERIC
GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE LARGE
SUBUNIT 1,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00348
(polyprenyl_synt) 		5 GLY A 165
GLY A 161
GLU A 160
ILE A 188
HIS A 184
 None
 0.97A 2oxtC-5e8lA:
undetectable		 2oxtC-5e8lA:
23.56
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) 		7 GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
ASP A 146
LYS A 180
 SAM  A 301 (-3.3A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.6A)
SAM  A 301 (-4.6A)
SAM  A 301 (-3.8A)
SAM  A 301 ( 4.8A)
 0.56A 2oxtC-5e9qA:
39.2		 2oxtC-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.
5gjv VOLTAGE-DEPENDENT
L-TYPE CALCIUM
CHANNEL SUBUNIT
ALPHA-1S

(Oryctolagus
cuniculus) 		PF00520
(Ion_trans)
PF08763
(Ca_chan_IQ)
PF16905
(GPHH) 		5 GLY A 613
GLY A1015
THR A 612
LEU A 611
ASP A 615
 None
 1.01A 2oxtC-5gjvA:
undetectable		 2oxtC-5gjvA:
8.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gqf LACTO-N-BIOSIDASE

(Bifidobacterium
longum) 		no annotation 5 GLY A 249
GLY A 294
GLY A 340
ASP A 291
VAL A 237
 None
 0.95A 2oxtC-5gqfA:
undetectable		 2oxtC-5gqfA:
18.93
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) 		8 GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
GLU A 111
ASP A 146
LYS A 180
 SAM  A 311 (-3.2A)
SAM  A 311 (-3.3A)
SAM  A 311 (-3.3A)
SAM  A 311 (-3.5A)
SAM  A 311 (-4.5A)
None
SAM  A 311 (-3.8A)
None
 0.72A 2oxtC-5ikmA:
38.7		 2oxtC-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  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
ASP A 146
LYS A 180
 SAH  A1003 (-3.4A)
SAH  A1003 (-3.5A)
SAH  A1003 (-3.0A)
SAH  A1003 (-3.4A)
SAH  A1003 (-4.6A)
SAH  A1003 (-3.8A)
None
 0.45A 2oxtC-5jjrA:
38.7		 2oxtC-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.
5jqx GLUCOSYL-3-PHOSPHOGL
YCERATE SYNTHASE

(Mycobacterium
tuberculosis) 		PF00535
(Glycos_transf_2) 		6 GLY A 234
GLY A 230
GLY A 115
THR A 276
LEU A 277
ILE A 237
 None
 1.08A 2oxtC-5jqxA:
undetectable		 2oxtC-5jqxA:
23.24
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.
5jwz CELLULOSE-BINDING
FAMILY II

(Streptomyces
sp. SirexAA-E) 		PF02012
(BNR) 		5 GLY A  25
GLY A 130
GLU A 387
ILE A 428
VAL A 404
 None
 1.01A 2oxtC-5jwzA:
undetectable		 2oxtC-5jwzA:
17.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kzm TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Francisella
tularensis) 		PF00290
(Trp_syntA) 		5 GLY A  99
GLY A 173
LEU A 102
ASP A 125
VAL A 124
 None
 1.03A 2oxtC-5kzmA:
undetectable		 2oxtC-5kzmA:
19.40
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.
5mpt CITRININ POLYKETIDE
SYNTHASE

(Monascus
purpureus) 		PF08242
(Methyltransf_12) 		5 GLY A1992
GLY A1994
GLY A1997
LEU A2020
ILE A2045
 SAH  A2201 (-3.2A)
SAH  A2201 (-3.0A)
SAH  A2201 (-3.5A)
SAH  A2201 (-3.7A)
SAH  A2201 (-3.8A)
 0.99A 2oxtC-5mptA:
6.8		 2oxtC-5mptA:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nju GENOME POLYPROTEIN

(Zika virus) 		no annotation 8 GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
GLU A 111
ASP A 146
LYS A 182
 SAH  A1001 (-3.4A)
SAH  A1001 (-3.4A)
SAH  A1001 (-3.3A)
SAH  A1001 (-3.5A)
SAH  A1001 (-4.4A)
None
SAH  A1001 (-3.7A)
None
 0.58A 2oxtC-5njuA:
38.6		 2oxtC-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.
5tmh POLYPROTEIN

(Zika virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		6 GLY A  81
GLY A  83
GLY A  86
THR A 104
GLU A 111
ILE A 147
 SAH  A1001 (-3.4A)
SAH  A1001 ( 3.8A)
SAH  A1001 (-3.6A)
SAH  A1001 ( 4.9A)
None
SAH  A1001 ( 4.8A)
 1.45A 2oxtC-5tmhA:
38.2		 2oxtC-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  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
ASP A 146
LYS A 182
 SAH  A1001 (-3.4A)
SAH  A1001 ( 3.8A)
SAH  A1001 (-3.6A)
SAH  A1001 (-3.5A)
SAH  A1001 ( 4.9A)
SAH  A1001 (-3.8A)
None
 0.57A 2oxtC-5tmhA:
38.2		 2oxtC-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  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
GLU A 111
ASP A 146
 SAH  A1001 (-3.4A)
SAH  A1001 ( 3.8A)
SAH  A1001 (-3.6A)
SAH  A1001 (-3.5A)
SAH  A1001 ( 4.9A)
None
SAH  A1001 (-3.8A)
 0.67A 2oxtC-5tmhA:
38.2		 2oxtC-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.
5u2i NUCLEOSIDE
DIPHOSPHATE KINASE

(Naegleria
fowleri) 		PF00334
(NDK) 		5 GLY A  81
GLY A  79
GLY A  31
GLU A  78
VAL A  83
 None
 0.97A 2oxtC-5u2iA:
undetectable		 2oxtC-5u2iA:
20.61
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.
5ucg STAGE II SPORULATION
PROTEIN E

(Bacillus
subtilis) 		PF07228
(SpoIIE) 		6 GLY A 629
THR A 679
LEU A 680
GLU A 639
ILE A 626
ASP A 796
 None
 1.35A 2oxtC-5ucgA:
undetectable		 2oxtC-5ucgA:
23.33
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.
5ud0 FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Helicobacter
pylori) 		no annotation 5 GLY A  84
GLY A  51
THR A  85
ILE A 103
ASP A  82
 None
None
None
None
NA  A 401 (-3.8A)
 0.97A 2oxtC-5ud0A:
undetectable		 2oxtC-5ud0A:
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.
5ux5 BIFUNCTIONAL PROTEIN
PROLINE UTILIZATION
A (PUTA)

(Corynebacterium
freiburgense) 		PF00171
(Aldedh)
PF01619
(Pro_dh) 		5 GLY A 392
LEU A 361
GLU A 368
ASP A 372
VAL A 345
 None
 0.98A 2oxtC-5ux5A:
undetectable		 2oxtC-5ux5A:
13.29
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.
5wq3 CYTOKININ RIBOSIDE
5'-MONOPHOSPHATE
PHOSPHORIBOHYDROLASE

(Corynebacterium
glutamicum) 		PF03641
(Lysine_decarbox) 		5 GLY A  93
GLY A  89
ILE A 242
HIS A 246
VAL A  71
 None
 1.01A 2oxtC-5wq3A:
undetectable		 2oxtC-5wq3A:
17.39
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.
5y28 -

(-) 		no annotation 5 GLY A 102
GLY A 223
GLY A 219
ILE A 111
VAL A  56
 None
 1.02A 2oxtC-5y28A:
undetectable		 2oxtC-5y28A:
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.
6byo VOLTAGE-DEPENDENT
L-TYPE CALCIUM
CHANNEL SUBUNIT
ALPHA-1S

(Oryctolagus
cuniculus) 		no annotation 5 GLY A 613
GLY A1015
THR A 612
LEU A 611
ASP A 615
 None
 1.01A 2oxtC-6byoA:
undetectable		 2oxtC-6byoA:
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.
1a3q PROTEIN (NUCLEAR
FACTOR KAPPA-B P52)

(Homo sapiens) 		PF00554
(RHD_DNA_bind)
PF16179
(RHD_dimer) 		4 SER A 220
GLY A  50
HIS A 105
ASP A  94
 None
 1.31A 2oxtC-1a3qA:
undetectable		 2oxtC-1a3qA:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1akc ASPARTATE
AMINOTRANSFERASE

(Gallus gallus) 		PF00155
(Aminotran_1_2) 		4 SER A 111
GLY A 268
HIS A 189
ASP A 199
 None
None
PPE  A 411 ( 4.6A)
None
 1.29A 2oxtC-1akcA:
2.5		 2oxtC-1akcA:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bgp BARLEY GRAIN
PEROXIDASE

(Hordeum vulgare) 		PF00141
(peroxidase) 		4 SER A 121
GLY A 122
HIS A  47
ASP A 108
 None
 1.29A 2oxtC-1bgpA:
undetectable		 2oxtC-1bgpA:
22.80
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.
1cg2 CARBOXYPEPTIDASE G2

(Pseudomonas sp.
RS-16) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 SER A 210
GLY A 212
HIS A 385
ASP A 114
 None
None
ZN  A 500 ( 3.2A)
None
 1.31A 2oxtC-1cg2A:
undetectable		 2oxtC-1cg2A:
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.
1e5m BETA KETOACYL ACYL
CARRIER PROTEIN
SYNTHASE II

(Synechocystis
sp. PCC 6803) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 SER A 337
GLY A 308
HIS A 221
ASP A 217
 None
 1.29A 2oxtC-1e5mA:
undetectable		 2oxtC-1e5mA:
21.96
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.
1hcy ARTHROPODAN
HEMOCYANIN

(Panulirus
interruptus) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 SER A 330
GLY A 341
HIS A 384
ASP A 377
 None
None
CU  A 666 (-3.4A)
None
 1.38A 2oxtC-1hcyA:
undetectable		 2oxtC-1hcyA:
18.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kc8 RIBOSOMAL PROTEIN
L18

(Haloarcula
marismortui) 		PF17144
(Ribosomal_L5e) 		4 SER O  29
GLY O  30
HIS O 131
ASP O 124
 A  A2415 ( 3.7A)
None
None
None
 1.37A 2oxtC-1kc8O:
undetectable		 2oxtC-1kc8O:
23.36
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.
1kcw CERULOPLASMIN

(Homo sapiens) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 SER A 384
GLY A 383
HIS A 602
ASP A 567
 None
None
CU  A1054 ( 3.4A)
None
 1.18A 2oxtC-1kcwA:
undetectable		 2oxtC-1kcwA:
14.31
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.
1lcy HTRA2 SERINE
PROTEASE

(Homo sapiens) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		4 SER A 267
GLY A 266
HIS A 261
ASP A 169
 None
 1.30A 2oxtC-1lcyA:
undetectable		 2oxtC-1lcyA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m22 PEPTIDE AMIDASE

(Stenotrophomonas
maltophilia) 		PF01425
(Amidase) 		4 SER A 204
GLY A 201
HIS A 197
ASP A 492
 None
 1.26A 2oxtC-1m22A:
undetectable		 2oxtC-1m22A:
19.68
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.
1m72 CASPASE-1

(Spodoptera
frugiperda) 		PF00656
(Peptidase_C14) 		4 SER A 230
GLY A 229
HIS A  68
ASP A  72
 None
 1.37A 2oxtC-1m72A:
undetectable		 2oxtC-1m72A:
21.73
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.
1qgj PEROXIDASE N

(Arabidopsis
thaliana) 		PF00141
(peroxidase) 		4 SER A 109
GLY A 110
HIS A  40
ASP A  96
 None
 1.39A 2oxtC-1qgjA:
undetectable		 2oxtC-1qgjA:
20.06
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) 		4 SER A  56
GLY A  58
HIS A 110
ASP A 131
 SAH  A 887 ( 2.8A)
SAH  A 887 (-3.0A)
SO4  A 901 ( 3.9A)
SAH  A 887 ( 3.3A)
 0.66A 2oxtC-1r6aA:
38.9		 2oxtC-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.
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 1

(Streptomyces
coelicolor) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 SER A 339
GLY A 310
HIS A 223
ASP A 219
 None
 1.27A 2oxtC-1tqyA:
undetectable		 2oxtC-1tqyA:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wvg CDP-GLUCOSE
4,6-DEHYDRATASE

(Salmonella
enterica) 		PF16363
(GDP_Man_Dehyd) 		4 SER A  28
GLY A  24
HIS A  64
ASP A  70
 None
 1.24A 2oxtC-1wvgA:
5.0		 2oxtC-1wvgA:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c11 MEMBRANE COPPER
AMINE OXIDASE

(Homo sapiens) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		4 SER A 220
GLY A 221
HIS A 160
ASP A 154
 None
CU  A1742 ( 4.5A)
CU  A1741 (-3.5A)
NAG  A1731 ( 4.1A)
 1.26A 2oxtC-2c11A:
undetectable		 2oxtC-2c11A:
16.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cn1 CYTOSOLIC
5'-NUCLEOTIDASE III

(Homo sapiens) 		PF05822
(UMPH-1) 		4 SER A 228
GLY A 230
HIS A  57
ASP A 158
 None
 0.90A 2oxtC-2cn1A:
undetectable		 2oxtC-2cn1A:
20.45
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.
2csu 457AA LONG
HYPOTHETICAL PROTEIN

(Pyrococcus
horikoshii) 		PF13380
(CoA_binding_2)
PF13607
(Succ_CoA_lig) 		4 SER A 287
GLY A 427
HIS A 136
ASP A 138
 None
 1.10A 2oxtC-2csuA:
4.9		 2oxtC-2csuA:
20.40
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.
2d1g ACID PHOSPHATASE

(Francisella
tularensis) 		PF04185
(Phosphoesterase) 		4 SER A 192
GLY A 195
HIS A 287
ASP A 387
 None
None
VO4  A 801 (-3.6A)
UNX  A 601 ( 2.6A)
 1.22A 2oxtC-2d1gA:
undetectable		 2oxtC-2d1gA:
17.59
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.
2ece 462AA LONG
HYPOTHETICAL
SELENIUM-BINDING
PROTEIN

(Sulfurisphaera
tokodaii) 		PF05694
(SBP56) 		4 SER A 138
GLY A 160
HIS A  74
ASP A 406
 None
 1.27A 2oxtC-2eceA:
undetectable		 2oxtC-2eceA:
20.93
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.
2iop CHAPERONE PROTEIN
HTPG

(Escherichia
coli) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		4 SER A 156
GLY A 158
HIS A  93
ASP A  41
 None
None
ADP  A1001 (-3.7A)
None
 1.21A 2oxtC-2iopA:
undetectable		 2oxtC-2iopA:
17.80
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.
2o56 PUTATIVE MANDELATE
RACEMASE

(Salmonella
enterica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 SER A 124
GLY A 122
HIS A 345
ASP A 294
 None
 1.07A 2oxtC-2o56A:
undetectable		 2oxtC-2o56A:
21.08
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.
2oq5 TRANSMEMBRANE
PROTEASE, SERINE 11E

(Homo sapiens) 		PF00089
(Trypsin) 		4 SER A  54
GLY A  43
HIS A  99
ASP A 217
 None
 1.20A 2oxtC-2oq5A:
undetectable		 2oxtC-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) 		4 SER A  57
GLY A  59
HIS A 111
ASP A 132
 SAM  A 300 (-2.6A)
SAM  A 300 (-3.1A)
SAM  A 300 (-3.6A)
SAM  A 300 (-3.9A)
 0.31A 2oxtC-2oxtA:
45.0		 2oxtC-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  58
HIS A 110
ASP A 131
 SAH  A 301 (-3.0A)
SAH  A 301 (-3.4A)
SAH  A 301 (-4.4A)
SAH  A 301 (-3.2A)
 0.67A 2oxtC-2oy0A:
38.4		 2oxtC-2oy0A:
51.69
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) 		4 SER A  56
GLY A  58
HIS A 110
ASP A 131
 SAH  A 500 (-2.5A)
SAH  A 500 (-3.3A)
SAH  A 500 (-3.9A)
SAH  A 500 (-3.5A)
 0.36A 2oxtC-2px5A:
39.3		 2oxtC-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.
2qm8 GTPASE/ATPASE

(Methylobacterium
extorquens) 		PF03308
(ArgK) 		4 SER A  77
GLY A  76
HIS A 244
ASP A 204
 None
 1.28A 2oxtC-2qm8A:
undetectable		 2oxtC-2qm8A:
22.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vhl N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Bacillus
subtilis) 		PF01979
(Amidohydro_1) 		4 SER A 282
GLY A  67
HIS A 327
ASP A 374
 None
 1.29A 2oxtC-2vhlA:
undetectable		 2oxtC-2vhlA:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xj9 MIPZ

(Caulobacter
vibrioides) 		PF09140
(MipZ) 		4 SER A 157
GLY A 144
HIS A 123
ASP A 110
 None
 1.33A 2oxtC-2xj9A:
2.4		 2oxtC-2xj9A:
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.
2xkk TOPOISOMERASE IV

(Acinetobacter
baumannii) 		PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim) 		4 SER A1154
GLY A1153
HIS A1079
ASP A 471
 None
 1.40A 2oxtC-2xkkA:
undetectable		 2oxtC-2xkkA:
16.24
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.
2xsz RUVB-LIKE 1

(Homo sapiens) 		PF06068
(TIP49) 		4 SER A 103
GLY A 102
HIS A  32
ASP A 213
 None
None
ATP  A 501 (-3.7A)
ATP  A 501 ( 4.6A)
 1.39A 2oxtC-2xszA:
undetectable		 2oxtC-2xszA:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z0l EARLY ANTIGEN
PROTEIN D

(Human
gammaherpesvirus
4) 		PF04929
(Herpes_DNAp_acc) 		4 SER A 261
GLY A 278
HIS A  27
ASP A 246
 None
 1.27A 2oxtC-2z0lA:
undetectable		 2oxtC-2z0lA:
22.09
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.
2z1u HYDROGENASE
EXPRESSION/FORMATION
PROTEIN HYPE

(Desulfovibrio
vulgaris) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		4 SER A 169
GLY A 170
HIS A  74
ASP A  67
 None
 1.32A 2oxtC-2z1uA:
undetectable		 2oxtC-2z1uA:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aqp PROBABLE SECDF
PROTEIN-EXPORT
MEMBRANE PROTEIN

(Thermus
thermophilus) 		PF02355
(SecD_SecF)
PF07549
(Sec_GG) 		4 SER A 413
GLY A 304
HIS A 381
ASP A 637
 None
 1.40A 2oxtC-3aqpA:
undetectable		 2oxtC-3aqpA:
16.58
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.
3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT

(Hydrogenovibrio
marinus;
Hydrogenovibrio
marinus) 		PF00374
(NiFeSe_Hases)
PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		4 SER A  48
GLY A 550
HIS A  30
ASP B  51
 None
 1.32A 2oxtC-3ayxA:
undetectable		 2oxtC-3ayxA:
18.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b85 PHOSPHATE
STARVATION-INDUCIBLE
PROTEIN

(Corynebacterium
glutamicum) 		PF02562
(PhoH) 		4 SER A 145
GLY A 146
HIS A 297
ASP A 295
 SO4  A 401 (-4.9A)
SO4  A 401 (-3.2A)
None
None
 1.40A 2oxtC-3b85A:
undetectable		 2oxtC-3b85A:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3brk GLUCOSE-1-PHOSPHATE
ADENYLYLTRANSFERASE

(Agrobacterium
tumefaciens) 		PF00483
(NTP_transferase) 		4 SER X 363
GLY X 346
HIS X  76
ASP X  82
 None
 0.88A 2oxtC-3brkX:
undetectable		 2oxtC-3brkX:
21.25
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) 		4 SER A  56
GLY A  58
HIS A 110
ASP A 131
 SAH  A 901 (-2.6A)
SAH  A 901 (-3.2A)
SAH  A 901 (-3.8A)
SAH  A 901 (-3.7A)
 0.45A 2oxtC-3evcA:
39.6		 2oxtC-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) 		4 SER A  56
GLY A  58
HIS A 110
ASP A 131
 SAM  A4633 (-2.7A)
SAM  A4633 (-3.5A)
SAM  A4633 (-3.5A)
SAM  A4633 (-3.7A)
 0.31A 2oxtC-3gczA:
40.4		 2oxtC-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.
3hi8 PROLIFERATING CELL
NUCLEAR ANTIGEN PCNA

(Haloferax
volcanii) 		PF00705
(PCNA_N)
PF02747
(PCNA_C) 		4 SER A 149
GLY A 169
HIS A 164
ASP A 157
 None
 1.36A 2oxtC-3hi8A:
undetectable		 2oxtC-3hi8A:
23.00
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.
3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA

(Moorella
thermoacetica) 		PF03063
(Prismane) 		4 SER A 211
GLY A 207
HIS A 113
ASP A 552
 None
None
CYN  A 900 (-4.1A)
None
 1.18A 2oxtC-3i04A:
2.7		 2oxtC-3i04A:
20.04
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.
3k9t PUTATIVE PEPTIDASE

(Clostridium
acetobutylicum) 		PF09940
(DUF2172)
PF16221
(HTH_47)
PF16254
(DUF4910) 		4 SER A  99
GLY A 137
HIS A 189
ASP A 328
 None
None
ZN  A 435 ( 3.2A)
None
 1.35A 2oxtC-3k9tA:
undetectable		 2oxtC-3k9tA:
20.63
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.
3ka7 OXIDOREDUCTASE

(Methanosarcina
mazei) 		PF01593
(Amino_oxidase) 		4 SER A  15
GLY A  11
HIS A 214
ASP A 235
 None
FAD  A 500 (-3.3A)
None
None
 1.32A 2oxtC-3ka7A:
3.8		 2oxtC-3ka7A:
20.23
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.
3ld9 THYMIDYLATE KINASE

(Ehrlichia
chaffeensis) 		PF02223
(Thymidylate_kin) 		4 SER A  11
GLY A  12
HIS A 174
ASP A 126
 SO4  A 300 (-4.6A)
SO4  A 300 (-3.4A)
None
None
 1.33A 2oxtC-3ld9A:
undetectable		 2oxtC-3ld9A:
20.29
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.
3meb ASPARTATE
AMINOTRANSFERASE

(Giardia
intestinalis) 		PF00155
(Aminotran_1_2) 		4 SER A 110
GLY A 266
HIS A 187
ASP A 197
 None
None
EDO  A 506 (-4.7A)
EDO  A 506 (-3.8A)
 1.32A 2oxtC-3mebA:
undetectable		 2oxtC-3mebA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o8l 6-PHOSPHOFRUCTOKINAS
E, MUSCLE TYPE

(Oryctolagus
cuniculus) 		PF00365
(PFK) 		4 SER A 164
GLY A 163
HIS A 183
ASP A 672
 None
 1.33A 2oxtC-3o8lA:
undetectable		 2oxtC-3o8lA:
17.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o8o 6-PHOSPHOFRUCTOKINAS
E SUBUNIT ALPHA
6-PHOSPHOFRUCTOKINAS
E SUBUNIT BETA

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF00365
(PFK)
PF00365
(PFK) 		4 SER A 370
GLY A 367
HIS A 488
ASP B 473
 None
None
F6P  A 988 (-4.2A)
None
 1.26A 2oxtC-3o8oA:
undetectable		 2oxtC-3o8oA:
15.38
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.
3ono RIBOSE/GALACTOSE
ISOMERASE

(Vibrio
parahaemolyticus) 		PF02502
(LacAB_rpiB)
PF12408
(DUF3666) 		4 SER A 111
GLY A  74
HIS A  50
ASP A 176
 None
 1.38A 2oxtC-3onoA:
undetectable		 2oxtC-3onoA:
19.69
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.
3pps LACCASE

(Thielavia
arenaria) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 SER A 562
GLY A 512
HIS A  94
ASP A 478
 None
None
CU  A 604 ( 3.1A)
None
 1.31A 2oxtC-3ppsA:
undetectable		 2oxtC-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.
3pps LACCASE

(Thielavia
arenaria) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 SER A 562
GLY A 512
HIS A 139
ASP A 478
 None
None
CU  A 603 ( 3.1A)
None
 1.33A 2oxtC-3ppsA:
undetectable		 2oxtC-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.
3v9e LACCASE

(Botrytis aclada) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 SER A 298
GLY A 294
HIS A 490
ASP A 463
 GOL  A 607 ( 4.7A)
None
CU  A 603 (-3.5A)
None
 1.19A 2oxtC-3v9eA:
undetectable		 2oxtC-3v9eA:
16.81
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.
3w5f BETA-GALACTOSIDASE

(Solanum
lycopersicum) 		PF01301
(Glyco_hydro_35) 		4 SER A 301
GLY A 298
HIS A 292
ASP A  58
 None
 1.25A 2oxtC-3w5fA:
undetectable		 2oxtC-3w5fA:
18.95
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.
3wvr PGM1

(Streptomyces
cirratus) 		no annotation 4 SER A 339
GLY A 338
HIS A 332
ASP A 187
 None
SO4  A 503 (-3.7A)
None
None
 1.27A 2oxtC-3wvrA:
undetectable		 2oxtC-3wvrA:
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.
3wy2 ALPHA-GLUCOSIDASE

(Halomonas sp.
H11) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		4 SER A 418
GLY A  28
HIS A 430
ASP A 379
 None
 1.16A 2oxtC-3wy2A:
undetectable		 2oxtC-3wy2A:
20.31
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.
4ayg GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		4 SER A1734
GLY A1736
HIS A1527
ASP A 985
 GOL  A2778 (-3.6A)
GOL  A2778 (-3.7A)
None
CA  A2770 (-2.2A)
 1.37A 2oxtC-4aygA:
undetectable		 2oxtC-4aygA:
13.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b9y ALPHA-GLUCOSIDASE,
PUTATIVE, ADG31B

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16338
(DUF4968)
PF17137
(DUF5110) 		4 SER A 469
GLY A 468
HIS A 434
ASP A 429
 None
 1.29A 2oxtC-4b9yA:
undetectable		 2oxtC-4b9yA:
15.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bla MALTOSE-BINDING
PERIPLASMIC PROTEIN,
SUPPRESSOR OF FUSED
HOMOLOG

(Escherichia
coli;
Homo sapiens) 		PF05076
(SUFU)
PF12470
(SUFU_C)
PF13416
(SBP_bac_8) 		4 SER A  74
GLY A  75
HIS A  65
ASP A  96
 None
 1.31A 2oxtC-4blaA:
undetectable		 2oxtC-4blaA:
15.58
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.
4c1o BETA-XYLOSIDASE

(Parageobacillus
thermoglucosidasius) 		PF03512
(Glyco_hydro_52) 		4 SER A 444
GLY A 441
HIS A 448
ASP A 489
 None
GOL  A1746 ( 3.1A)
None
NA  A1731 (-3.2A)
 1.32A 2oxtC-4c1oA:
undetectable		 2oxtC-4c1oA:
17.47
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.
4cag POLYSACCHARIDE LYASE
FAMILY 11 PROTEIN

(Bacillus
licheniformis) 		PF01839
(FG-GAP) 		4 SER A  30
GLY A 516
HIS A 543
ASP A 427
 None
CA  A 610 ( 4.4A)
None
CA  A 604 (-3.2A)
 1.39A 2oxtC-4cagA:
undetectable		 2oxtC-4cagA:
18.38
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.
4cuo BANYAN PEROXIDASE

(Ficus
benghalensis) 		PF00141
(peroxidase) 		4 SER A 112
GLY A 113
HIS A  40
ASP A  99
 None
 1.35A 2oxtC-4cuoA:
undetectable		 2oxtC-4cuoA:
19.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4de8 CPS2A

(Streptococcus
pneumoniae) 		PF02916
(DNA_PPF)
PF03816
(LytR_cpsA_psr) 		4 SER A 245
GLY A 232
HIS A 297
ASP A 306
 None
0K3  A 501 ( 3.9A)
None
None
 1.14A 2oxtC-4de8A:
undetectable		 2oxtC-4de8A:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dwe UNCHARACTERIZED
PROTEIN

(Bacteroides
ovatus) 		PF15421
(Polysacc_deac_3) 		4 SER A 473
GLY A 117
HIS A 457
ASP A 449
 GOL  A 504 ( 4.3A)
None
None
None
 1.30A 2oxtC-4dweA:
undetectable		 2oxtC-4dweA:
19.29
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.
4g2c DYP2

(Amycolatopsis
sp. ATCC 39116) 		no annotation 4 SER A 332
GLY A 331
HIS A 323
ASP A 192
 None
None
HEM  A 501 (-3.3A)
ACT  A 513 ( 2.6A)
 1.06A 2oxtC-4g2cA:
undetectable		 2oxtC-4g2cA:
21.24
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.
4hxe PUTATIVE
UNCHARACTERIZED
PROTEIN PH0594

(Pyrococcus
horikoshii) 		PF00326
(Peptidase_S9)
PF07676
(PD40) 		4 SER B 581
GLY B 579
HIS B 385
ASP B 437
 None
 1.38A 2oxtC-4hxeB:
undetectable		 2oxtC-4hxeB:
18.40
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.
4j35 PHOSPHOTRIESTERASE,
PUTATIVE

(Deinococcus
radiodurans) 		PF02126
(PTE) 		4 SER A 147
GLY A 100
HIS A  21
ASP A  66
 None
None
CO  A 402 (-3.3A)
None
 1.39A 2oxtC-4j35A:
undetectable		 2oxtC-4j35A:
21.96
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.
4jvs PUTATIVE
UNCHARACTERIZED
PROTEIN
RAS-RELATED PROTEIN
RAB-1A

(Legionella
drancourtii;
Homo sapiens) 		no annotation
PF00071
(Ras) 		4 SER A 593
GLY A 557
HIS A 418
ASP B  95
 None
None
GDP  B 400 ( 4.8A)
None
 1.07A 2oxtC-4jvsA:
undetectable		 2oxtC-4jvsA:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 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) 		4 SER A  56
GLY A  58
HIS A 110
ASP A 131
 SAH  A1001 (-2.8A)
SAH  A1001 (-3.1A)
SAH  A1001 ( 3.6A)
SAH  A1001 (-3.7A)
 0.45A 2oxtC-4k6mA:
39.1		 2oxtC-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.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)

(Bradyrhizobium
elkanii) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		4 SER A 269
GLY A 266
HIS A  58
ASP A 134
 None
None
ADN  A 501 (-4.0A)
None
 1.40A 2oxtC-4lvcA:
2.1		 2oxtC-4lvcA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q9n ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADH]

(Chlamydia
trachomatis) 		PF13561
(adh_short_C2) 		4 SER A 228
GLY A 231
HIS A 125
ASP A 202
 NAI  A 301 (-2.3A)
NAI  A 301 ( 4.3A)
None
None
 1.01A 2oxtC-4q9nA:
4.8		 2oxtC-4q9nA:
18.71
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.
4qa9 EPOXIDE HYDROLASE

(Streptomyces
carzinostaticus) 		PF06441
(EHN) 		4 SER A 180
GLY A 176
HIS A 352
ASP A 373
 None
 1.15A 2oxtC-4qa9A:
undetectable		 2oxtC-4qa9A:
19.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rhh BETA-XYLOSIDASE

(Geobacillus
stearothermophilus) 		PF03512
(Glyco_hydro_52) 		4 SER A 422
GLY A 419
HIS A 426
ASP A 467
 None
None
None
CA  A 801 (-3.4A)
 1.36A 2oxtC-4rhhA:
undetectable		 2oxtC-4rhhA:
17.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rsl FRUCTOSYL PEPTIDE
OXIDASE

(Penicillium
terrenum) 		PF01266
(DAO) 		4 SER A  50
GLY A  17
HIS A 377
ASP A 354
 FAD  A 502 (-2.7A)
FAD  A 502 (-3.1A)
None
None
 1.26A 2oxtC-4rslA:
2.1		 2oxtC-4rslA:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tx2 NON-RIBOSOMAL
PEPTIDE SYNTHETASE

(Actinoplanes
teichomyceticus) 		PF00668
(Condensation) 		4 SER B 148
GLY B 300
HIS B  38
ASP B 114
 None
 1.36A 2oxtC-4tx2B:
undetectable		 2oxtC-4tx2B:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wjv RIBOSOME ASSEMBLY
PROTEIN 4

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		4 SER A 144
GLY A 164
HIS A 485
ASP A 465
 None
 1.20A 2oxtC-4wjvA:
undetectable		 2oxtC-4wjvA:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yu5 IMMUNE INHIBITOR A,
METALLOPROTEASE

(Bacillus cereus) 		PF05547
(Peptidase_M6) 		4 SER A 230
GLY A 439
HIS A 310
ASP A 288
 None
None
None
CA  A1003 (-3.5A)
 1.34A 2oxtC-4yu5A:
undetectable		 2oxtC-4yu5A:
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.
5a0z CHOLINE
TRIMETHYLAMINE LYASE

(Klebsiella
pneumoniae) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		4 SER A 480
GLY A 481
HIS A 853
ASP A 419
 None
 1.39A 2oxtC-5a0zA:
undetectable		 2oxtC-5a0zA:
14.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aog CATIONIC PEROXIDASE
SPC4

(Sorghum bicolor) 		PF00141
(peroxidase) 		4 SER A 153
GLY A 154
HIS A  79
ASP A 140
 None
 1.31A 2oxtC-5aogA:
undetectable		 2oxtC-5aogA:
20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bp3 MYCOCEROSIC ACID
SYNTHASE-LIKE
POLYKETIDE SYNTHASE

(Mycolicibacterium
smegmatis) 		PF14765
(PS-DH) 		4 SER A 985
GLY A 997
HIS A1001
ASP A 977
 None
 1.21A 2oxtC-5bp3A:
undetectable		 2oxtC-5bp3A:
24.38
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.
5bv9 CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Bacillus
pumilus) 		PF02011
(Glyco_hydro_48) 		4 SER A 365
GLY A 368
HIS A 319
ASP A 227
 None
 1.36A 2oxtC-5bv9A:
undetectable		 2oxtC-5bv9A:
16.86
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) 		4 SER A  56
GLY A  58
HIS A 110
ASP A 131
 SAM  A 301 (-2.7A)
SAM  A 301 (-3.2A)
SAM  A 301 ( 3.7A)
SAM  A 301 (-3.4A)
 0.54A 2oxtC-5e9qA:
39.2		 2oxtC-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.
5f4j PROTRUDING DOMAIN OF
GII.17 NOROVIRUS
CAPSID

(Norwalk virus) 		PF08435
(Calici_coat_C) 		4 SER A 445
GLY A 447
HIS A 398
ASP A 300
 None
 1.05A 2oxtC-5f4jA:
undetectable		 2oxtC-5f4jA:
21.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i33 ADENYLOSUCCINATE
SYNTHETASE

(Cryptococcus
neoformans) 		PF00709
(Adenylsucc_synt) 		4 SER A 247
GLY A 251
HIS A 114
ASP A 111
 None
 1.13A 2oxtC-5i33A:
undetectable		 2oxtC-5i33A:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i5d INNER MEMBRANE
PROTEIN YEJM

(Salmonella
enterica) 		PF00884
(Sulfatase)
PF11893
(DUF3413) 		4 SER A 534
GLY A 533
HIS A 468
ASP A 406
 None
 1.34A 2oxtC-5i5dA:
undetectable		 2oxtC-5i5dA:
17.04
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) 		4 SER A  56
GLY A  58
HIS A 110
ASP A 131
 SAM  A 311 ( 2.7A)
SAM  A 311 (-3.3A)
SAM  A 311 (-4.1A)
MLT  A 313 ( 2.6A)
 0.61A 2oxtC-5ikmA:
38.7		 2oxtC-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.
5jjh 4-ALPHA-GLUCANOTRANS
FERASE

(Corynebacterium
glutamicum) 		PF02446
(Glyco_hydro_77) 		4 SER A  76
GLY A 158
HIS A 403
ASP A 326
 None
 1.37A 2oxtC-5jjhA:
undetectable		 2oxtC-5jjhA:
17.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jjh 4-ALPHA-GLUCANOTRANS
FERASE

(Corynebacterium
glutamicum) 		PF02446
(Glyco_hydro_77) 		4 SER A  76
GLY A 158
HIS A 403
ASP A 397
 None
None
None
GOL  A 801 (-4.2A)
 1.30A 2oxtC-5jjhA:
undetectable		 2oxtC-5jjhA:
17.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jjq AMP-DEPENDENT
SYNTHETASE AND
LIGASE

(Streptomyces
sp. ML694-90F3) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 SER A 372
GLY A 373
HIS A 342
ASP A 326
 None
 1.08A 2oxtC-5jjqA:
2.6		 2oxtC-5jjqA:
20.29
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.
5nju GENOME POLYPROTEIN

(Zika virus) 		no annotation 4 SER A  56
GLY A  58
HIS A 110
ASP A 131
 SAH  A1001 (-2.6A)
SAH  A1001 (-3.3A)
SAH  A1001 (-4.0A)
SAH  A1001 (-3.9A)
 0.45A 2oxtC-5njuA:
38.6		 2oxtC-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.
5nny WIPB

(Legionella
pneumophila) 		no annotation 4 SER A 149
GLY A 152
HIS A 179
ASP A  72
 None
 1.39A 2oxtC-5nnyA:
undetectable		 2oxtC-5nnyA:
21.39
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.
5o0s GLUCOSYLCERAMIDASE

(Thermoanaerobacterium
xylanolyticum) 		PF04685
(DUF608)
PF12215
(Glyco_hydr_116N)
PF17168
(DUF5127) 		4 SER A 512
GLY A  99
HIS A 507
ASP A 593
 None
None
9FQ  A 911 (-3.9A)
9FQ  A 911 (-3.5A)
 1.35A 2oxtC-5o0sA:
undetectable		 2oxtC-5o0sA:
14.92
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.
5tmh POLYPROTEIN

(Zika virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		4 SER A  56
GLY A  58
HIS A 110
ASP A 131
 SAH  A1001 (-2.5A)
SAH  A1001 (-3.2A)
SAH  A1001 (-3.6A)
SAH  A1001 (-4.0A)
 0.46A 2oxtC-5tmhA:
38.2		 2oxtC-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.
5vgz 26S PROTEASOME
REGULATORY SUBUNIT 4

(Homo sapiens) 		no annotation 4 SER B 129
GLY B 128
HIS B 120
ASP B 117
 None
 1.31A 2oxtC-5vgzB:
undetectable		 2oxtC-5vgzB:
15.47
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.
5vj1 MDCA

(Pseudomonas
aeruginosa) 		PF16957
(Mal_decarbox_Al) 		4 SER A 491
GLY A 494
HIS A 367
ASP A 458
 None
 1.32A 2oxtC-5vj1A:
undetectable		 2oxtC-5vj1A:
19.21
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.
5wa0 PUTATIVE SULFITE
OXIDASE

(Sinorhizobium
meliloti) 		no annotation 4 SER A 240
GLY A 241
HIS A 386
ASP A 137
 MSS  A 401 ( 4.6A)
MSS  A 401 (-3.9A)
None
None
 1.34A 2oxtC-5wa0A:
undetectable		 2oxtC-5wa0A:
23.24
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.
5xao UNCHARACTERIZED
PROTEIN

(Parastagonospora
nodorum) 		PF01266
(DAO) 		4 SER A  50
GLY A  17
HIS A 373
ASP A 350
 FAD  A 501 (-2.8A)
FAD  A 501 (-3.3A)
None
None
 1.28A 2oxtC-5xaoA:
2.1		 2oxtC-5xaoA:
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.
5xap PROTEIN TRANSLOCASE
SUBUNIT SECD

(Deinococcus
radiodurans) 		PF02355
(SecD_SecF)
PF07549
(Sec_GG) 		4 SER A 438
GLY A 329
HIS A 406
ASP A 666
 None
 1.14A 2oxtC-5xapA:
undetectable		 2oxtC-5xapA:
15.35
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.
5xlu GAMMA GLUTAMYL
TRANSPEPTIDASE

(Bacillus
licheniformis) 		no annotation 4 SER A 108
GLY A 145
HIS A 154
ASP A 164
 SER  A 108 ( 0.0A)
GLY  A 145 ( 0.0A)
HIS  A 154 ( 1.0A)
ASP  A 164 ( 0.5A)
 1.19A 2oxtC-5xluA:
undetectable		 2oxtC-5xluA:
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.
5xog DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA
RNA POLYMERASE II
THIRD LARGEST
SUBUNIT B44, PART OF
CENTRAL CORE

(Komagataella
phaffii;
Komagataella
phaffii) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5)
PF01000
(RNA_pol_A_bac)
PF01193
(RNA_pol_L) 		4 SER C 237
GLY C 236
HIS B 996
ASP B1009
 None
 1.23A 2oxtC-5xogC:
undetectable		 2oxtC-5xogC:
21.29
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.
6chs PUTATIVE CELL
DIVISION CONTROL
PROTEIN

(Chaetomium
thermophilum) 		no annotation 4 SER H 672
GLY H 498
HIS H 697
ASP H 767
 None
 1.14A 2oxtC-6chsH:
undetectable		 2oxtC-6chsH:
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.
6ek2 SINGLE CHAIN FV
FRAGMENT

(Mus musculus) 		no annotation 4 SER H 387
GLY H 388
HIS H 204
ASP H 222
 None
 1.33A 2oxtC-6ek2H:
undetectable		 2oxtC-6ek2H:
undetectable