SIMILAR PATTERNS OF AMINO ACIDS FOR 2OXT_C_SAMC300_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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