SIMILAR PATTERNS OF AMINO ACIDS FOR 2OXT_A_SAMA300_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.
1coy CHOLESTEROL OXIDASE

(Brevibacterium
sterolicum) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 GLY A 293
GLY A  23
GLY A  18
ASP A 474
VAL A 473
 FAD  A 510 ( 4.3A)
None
FAD  A 510 (-3.2A)
FAD  A 510 (-4.7A)
None
 0.95A 2oxtA-1coyA:
undetectable		 2oxtA-1coyA:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e08 [FE]-HYDROGENASE
(LARGE SUBUNIT)
[FE]-HYDROGENASE
(SMALL SUBUNIT)

(Desulfovibrio
desulfuricans;
Desulfovibrio
desulfuricans) 		PF02906
(Fe_hyd_lg_C)
PF13187
(Fer4_9)
PF02256
(Fe_hyd_SSU) 		5 GLY A  70
GLY A 380
THR A 299
ILE D  47
VAL A 383
 SF4  A   2 (-3.8A)
None
None
None
None
 1.04A 2oxtA-1e08A:
undetectable		 2oxtA-1e08A:
19.53
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.
1eiz FTSJ

(Escherichia
coli) 		PF01728
(FtsJ) 		5 GLY A  59
GLY A  64
TRP A  65
LEU A  84
ASP A 124
 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)
 0.45A 2oxtA-1eizA:
15.2		 2oxtA-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.
1gpe PROTEIN (GLUCOSE
OXIDASE)

(Penicillium
amagasakiense) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 GLY A 101
GLY A  36
GLY A  31
GLY A 103
LEU A 290
 None
None
FAD  A 600 (-3.2A)
FAD  A 600 (-4.5A)
None
 0.95A 2oxtA-1gpeA:
2.3		 2oxtA-1gpeA:
16.76
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.05A 2oxtA-1leoA:
undetectable		 2oxtA-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.
1lrw METHANOL
DEHYDROGENASE
SUBUNIT 1

(Paracoccus
denitrificans) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		5 GLY A  56
GLY A 478
GLY A 518
LEU A 409
VAL A 309
 None
 1.07A 2oxtA-1lrwA:
undetectable		 2oxtA-1lrwA:
18.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1r6a GENOME POLYPROTEIN

(Dengue virus) 		PF01728
(FtsJ) 		7 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
ASP A 146
 SAH  A 887 (-3.0A)
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)
SAH  A 887 (-3.9A)
 0.33A 2oxtA-1r6aA:
39.3		 2oxtA-1r6aA:
48.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1r6a GENOME POLYPROTEIN

(Dengue virus) 		PF01728
(FtsJ) 		7 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
GLU A 111
 SAH  A 887 (-3.0A)
SAH  A 887 (-3.6A)
SAH  A 887 (-3.6A)
SAH  A 887 (-3.3A)
SAH  A 887 (-3.5A)
SAH  A 887 (-4.5A)
None
 0.59A 2oxtA-1r6aA:
39.3		 2oxtA-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 2oxtA-1sh2A:
undetectable		 2oxtA-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.
1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT

(Pseudomonas
putida) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 GLY B 553
GLY B 470
GLY B 468
GLY B 549
LEU B 635
 None
None
None
MCN  B4921 (-3.2A)
None
 1.07A 2oxtA-1t3qB:
undetectable		 2oxtA-1t3qB:
16.15
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.
1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE

(Thermotoga
maritima) 		PF00465
(Fe-ADH) 		5 GLY A  68
GLY A  98
GLY A  40
THR A 139
VAL A 102
 None
NAP  A 800 (-3.2A)
NAP  A 800 (-3.4A)
NAP  A 800 (-3.8A)
None
 0.75A 2oxtA-1vljA:
undetectable		 2oxtA-1vljA:
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.
1w18 LEVANSUCRASE

(Gluconacetobacter
diazotrophicus) 		PF02435
(Glyco_hydro_68) 		5 GLY A 195
GLY A 537
THR A 138
LEU A 139
GLU A 153
 None
 0.88A 2oxtA-1w18A:
undetectable		 2oxtA-1w18A:
20.62
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.
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
 0.96A 2oxtA-1wkkA:
undetectable		 2oxtA-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.
1z5v TUBULIN GAMMA-1
CHAIN

(Homo sapiens) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		5 GLY A 148
GLY A  14
GLY A  11
GLY A 144
ILE A  17
 None
None
GSP  A2466 (-3.1A)
GSP  A2466 (-3.0A)
None
 0.99A 2oxtA-1z5vA:
undetectable		 2oxtA-1z5vA:
18.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zlr COAGULATION FACTOR
XI

(Homo sapiens) 		PF00089
(Trypsin) 		5 GLY A 142
GLY A  42
GLY A 197
ILE A  52
VAL A  31
 None
 1.01A 2oxtA-1zlrA:
undetectable		 2oxtA-1zlrA:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bi7 UDP-GALACTOPYRANOSE
MUTASE

(Klebsiella
pneumoniae) 		PF03275
(GLF)
PF13450
(NAD_binding_8) 		5 GLY A 345
GLY A  12
GLY A  10
GLY A 234
ILE A 202
 None
FAD  A1385 (-3.4A)
FAD  A1385 (-3.1A)
FAD  A1385 (-3.5A)
None
 1.03A 2oxtA-2bi7A:
3.5		 2oxtA-2bi7A:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ie8 PHOSPHOGLYCERATE
KINASE

(Thermus
caldophilus) 		PF00162
(PGK) 		5 GLY A 293
GLY A 289
ILE A 269
ASP A 291
VAL A 318
 None
 0.86A 2oxtA-2ie8A:
2.6		 2oxtA-2ie8A:
22.57
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.
2jo7 GLYCOSYLPHOSPHATIDYL
INOSITOL-ANCHORED
MEROZOITE SURFACE
PROTEIN

(Babesia
divergens) 		PF11641
(Antigen_Bd37) 		5 GLY A  81
GLY A  77
ILE A 289
ASP A 112
VAL A 108
 None
 1.07A 2oxtA-2jo7A:
undetectable		 2oxtA-2jo7A:
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.
2ml2 POLY(BETA-D-MANNURON
ATE) C5 EPIMERASE 6

(Azotobacter
vinelandii) 		no annotation 5 GLY A  24
GLY A  38
GLY A  41
THR A  55
ILE A  83
 CA  A 202 ( 4.8A)
CA  A 202 (-3.9A)
CA  A 204 (-4.4A)
None
None
 0.96A 2oxtA-2ml2A:
undetectable		 2oxtA-2ml2A:
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.
2num UBIQUINOL-CYTOCHROME
C REDUCTASE
IRON-SULFUR SUBUNIT

(Rhodobacter
sphaeroides) 		PF00355
(Rieske) 		5 GLY A 120
THR A 115
LEU A 116
GLU A 121
ASP A  81
 None
 0.99A 2oxtA-2numA:
undetectable		 2oxtA-2numA:
21.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oxt NUCLEOSIDE-2'-O-METH
YLTRANSFERASE

(Meaban virus) 		PF01728
(FtsJ) 		12 GLY A  59
GLY A  82
GLY A  84
GLY A  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
 SAM  A 300 (-3.1A)
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)
 0.02A 2oxtA-2oxtA:
48.9		 2oxtA-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  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
ASP A 146
 SAH  A 301 (-3.4A)
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)
 0.47A 2oxtA-2oy0A:
38.6		 2oxtA-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  58
GLY A  83
GLY A  86
TRP A  87
THR A 104
GLU A 111
ASP A 146
 SAH  A 301 (-3.4A)
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)
 0.78A 2oxtA-2oy0A:
38.6		 2oxtA-2oy0A:
51.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p3g MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		5 GLY X  73
GLY X  71
LEU X 203
GLU X 145
ASP X 207
 F10  X 401 ( 4.1A)
F10  X 401 ( 4.3A)
None
None
F10  X 401 (-3.4A)
 0.88A 2oxtA-2p3gX:
undetectable		 2oxtA-2p3gX:
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.
2ph1 NUCLEOTIDE-BINDING
PROTEIN

(Archaeoglobus
fulgidus) 		PF10609
(ParA) 		5 GLY A  26
GLY A  29
THR A  36
LEU A 133
VAL A 157
 None
 0.76A 2oxtA-2ph1A:
undetectable		 2oxtA-2ph1A:
25.60
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.
2pw6 UNCHARACTERIZED
PROTEIN YGID

(Escherichia
coli) 		PF02900
(LigB) 		5 GLY A 173
GLY A 125
GLY A  23
GLY A  21
ILE A 128
 None
 0.91A 2oxtA-2pw6A:
undetectable		 2oxtA-2pw6A:
20.75
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  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
ASP A 146
 SAH  A 500 (-3.3A)
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)
 0.36A 2oxtA-2px5A:
39.6		 2oxtA-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  58
GLY A  83
GLY A  86
TRP A  87
THR A 104
GLU A 111
ASP A 146
 SAH  A 500 (-3.3A)
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)
 0.68A 2oxtA-2px5A:
39.6		 2oxtA-2px5A:
51.31
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) 		7 GLY A  59
GLY A  82
GLY A  84
TRP A  88
THR A 105
LEU A 106
ASP A 147
 SAM  A1248 ( 3.7A)
SAM  A1248 (-3.3A)
SAM  A1248 (-3.4A)
SAM  A1248 (-3.7A)
SAM  A1248 (-4.5A)
SAM  A1248 (-4.1A)
SAM  A1248 (-3.7A)
 0.32A 2oxtA-2wa2A:
34.9		 2oxtA-2wa2A:
53.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2wa2 NON-STRUCTURAL
PROTEIN 5

(Modoc virus) 		PF01728
(FtsJ) 		7 GLY A  82
GLY A  84
TRP A  88
THR A 105
LEU A 106
GLU A 112
ASP A 147
 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)
 0.51A 2oxtA-2wa2A:
34.9		 2oxtA-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.
2wpm COAGULATION FACTOR
IXA HEAVY CHAIN

(Homo sapiens) 		PF00089
(Trypsin) 		5 GLY S 142
GLY S  44
GLY S 197
ILE S  52
VAL S  31
 None
 0.96A 2oxtA-2wpmS:
undetectable		 2oxtA-2wpmS:
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.
2z8e GALACTO-N-BIOSE/LACT
O-N-BIOSE I
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Bifidobacterium
longum) 		PF01547
(SBP_bac_1) 		5 GLY A 210
GLY A 315
GLY A 156
GLY A 311
LEU A 349
 None
GAL  A   1 (-3.2A)
None
None
None
 0.94A 2oxtA-2z8eA:
undetectable		 2oxtA-2z8eA:
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.
3dou RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J

(Thermoplasma
volcanium) 		PF01728
(FtsJ) 		5 GLY A  46
GLY A  51
TRP A  52
LEU A  68
ASP A 111
 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)
 0.49A 2oxtA-3douA:
14.5		 2oxtA-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) 		7 GLY A  58
GLY A  81
GLY A  83
GLY A  86
THR A 104
LEU A 105
GLU A 111
 SAM  A4633 ( 3.7A)
SAM  A4633 (-3.2A)
SAM  A4633 (-3.4A)
SAM  A4633 (-3.4A)
SAM  A4633 (-4.5A)
SAM  A4633 (-4.1A)
None
 0.71A 2oxtA-3eluA:
38.9		 2oxtA-3eluA:
49.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3elu METHYLTRANSFERASE

(Wesselsbron
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		8 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
LEU A 105
ASP A 146
 SAM  A4633 ( 3.7A)
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)
 0.44A 2oxtA-3eluA:
38.9		 2oxtA-3eluA:
49.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3evc RNA-DIRECTED RNA
POLYMERASE NS5

(Yellow fever
virus) 		PF01728
(FtsJ) 		10 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
LEU A 105
ILE A 132
HIS A 133
ASP A 146
 SAH  A 901 (-3.2A)
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)
 0.35A 2oxtA-3evcA:
39.8		 2oxtA-3evcA:
48.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3evc RNA-DIRECTED RNA
POLYMERASE NS5

(Yellow fever
virus) 		PF01728
(FtsJ) 		6 GLY A  58
GLY A  83
GLY A  86
TRP A  87
GLU A 111
ASP A 146
 SAH  A 901 (-3.2A)
SAH  A 901 (-3.3A)
SAH  A 901 (-3.1A)
SAH  A 901 (-3.6A)
SAH  A 901 (-3.1A)
SAH  A 901 (-3.8A)
 0.81A 2oxtA-3evcA:
39.8		 2oxtA-3evcA:
48.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3evc RNA-DIRECTED RNA
POLYMERASE NS5

(Yellow fever
virus) 		PF01728
(FtsJ) 		6 GLY A  81
GLY A  58
GLY A  86
GLY A  83
THR A  59
ASP A 146
 SAH  A 901 (-3.4A)
SAH  A 901 (-3.2A)
SAH  A 901 (-3.1A)
SAH  A 901 (-3.3A)
None
SAH  A 901 (-3.8A)
 1.33A 2oxtA-3evcA:
39.8		 2oxtA-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) 		7 GLY A  58
GLY A  81
GLY A  83
GLY A  86
THR A 104
LEU A 105
GLU A 111
 SAM  A4633 (-3.5A)
SAM  A4633 (-3.4A)
SAM  A4633 (-3.4A)
SAM  A4633 (-3.2A)
SAM  A4633 (-4.5A)
SAM  A4633 (-4.0A)
None
 0.65A 2oxtA-3gczA:
40.6		 2oxtA-3gczA:
49.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gcz POLYPROTEIN

(Yokose virus) 		PF01728
(FtsJ) 		8 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
LEU A 105
ASP A 146
 SAM  A4633 (-3.5A)
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)
 0.36A 2oxtA-3gczA:
40.6		 2oxtA-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.
3gg4 GLYCEROL KINASE

(Yersinia
pseudotuberculosis) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 GLY A 133
GLY A 320
GLY A 302
GLU A 319
ILE A 441
 None
 0.89A 2oxtA-3gg4A:
undetectable		 2oxtA-3gg4A:
18.74
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.
3gq9 PRENECK APPENDAGE
PROTEIN

(Bacillus virus
phi29) 		PF11962
(Peptidase_G2)
PF12708
(Pectate_lyase_3) 		5 GLY A 366
GLY A 257
GLY A 255
GLY A 338
THR A 258
 None
 1.00A 2oxtA-3gq9A:
undetectable		 2oxtA-3gq9A:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h1q ETHANOLAMINE
UTILIZATION PROTEIN
EUTJ

(Carboxydothermus
hydrogenoformans) 		PF14450
(FtsA) 		5 GLY A 167
GLY A 149
GLY A 144
ILE A 139
VAL A 214
 None
None
ATP  A 301 (-3.1A)
None
None
 0.98A 2oxtA-3h1qA:
undetectable		 2oxtA-3h1qA:
23.87
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.
3hi0 PUTATIVE
EXOPOLYPHOSPHATASE

(Agrobacterium
fabrum) 		PF02541
(Ppx-GppA) 		5 GLY A  53
GLY A 171
GLY A 149
GLY A  51
LEU A 151
 None
 0.76A 2oxtA-3hi0A:
undetectable		 2oxtA-3hi0A:
19.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hp7 HEMOLYSIN, PUTATIVE

(Streptococcus
thermophilus) 		PF01479
(S4)
PF01728
(FtsJ) 		5 GLY A  66
GLY A  90
GLY A  95
ASP A 155
VAL A 156
 None
EOH  A 301 ( 3.7A)
None
None
None
 0.74A 2oxtA-3hp7A:
14.6		 2oxtA-3hp7A:
24.07
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.
3hst PROTEIN
RV2228C/MT2287

(Mycobacterium
tuberculosis) 		PF13456
(RVT_3) 		5 GLY B  10
GLY B  52
GLY B  19
LEU B  57
ASP B   8
 None
 1.00A 2oxtA-3hstB:
undetectable		 2oxtA-3hstB:
24.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lkz NON-STRUCTURAL
PROTEIN 5

(West Nile virus) 		PF01728
(FtsJ) 		8 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
GLU A 111
ASP A 146
 SFG  A 301 (-2.9A)
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)
 0.64A 2oxtA-3lkzA:
39.7		 2oxtA-3lkzA:
50.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lkz NON-STRUCTURAL
PROTEIN 5

(West Nile virus) 		PF01728
(FtsJ) 		6 GLY A  81
GLY A  58
GLY A  86
GLY A  83
THR A  59
ASP A 146
 SFG  A 301 (-3.5A)
SFG  A 301 (-2.9A)
SFG  A 301 (-3.4A)
SFG  A 301 (-3.3A)
None
SFG  A 301 (-3.8A)
 1.39A 2oxtA-3lkzA:
39.7		 2oxtA-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.
3num SERINE PROTEASE
HTRA1

(Homo sapiens) 		PF13365
(Trypsin_2) 		5 GLY A 206
GLY A 329
GLY A 326
THR A 217
ILE A 215
 None
 1.08A 2oxtA-3numA:
undetectable		 2oxtA-3numA:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.98A 2oxtA-3prvA:
undetectable		 2oxtA-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.
3s69 THROMBIN-LIKE ENZYME
DEFIBRASE

(Gloydius
saxatilis) 		PF00089
(Trypsin) 		6 GLY A 139
GLY A  43
GLY A 196
GLY A 193
THR A  53
LEU A  52
 None
 1.43A 2oxtA-3s69A:
undetectable		 2oxtA-3s69A:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ss7 D-SERINE DEHYDRATASE

(Escherichia
coli) 		PF00291
(PALP) 		5 GLY X 290
GLY X 247
GLY X 286
LEU X 127
ILE X  77
 None
 0.99A 2oxtA-3ss7X:
undetectable		 2oxtA-3ss7X:
19.51
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.
3sti PROTEASE DEGQ

(Escherichia
coli) 		PF13365
(Trypsin_2) 		5 GLY A 149
GLY A 189
GLY A 145
ILE A 201
VAL A  68
 None
 0.84A 2oxtA-3stiA:
undetectable		 2oxtA-3stiA:
18.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t1w FOUR-DOMAIN
FIBRONECTIN FRAGMENT

(Homo sapiens) 		PF00041
(fn3) 		5 GLY A1308
GLY A1306
THR A1356
GLU A1329
ILE A1283
 None
 1.05A 2oxtA-3t1wA:
undetectable		 2oxtA-3t1wA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uqe 6-PHOSPHOFRUCTOKINAS
E ISOZYME 2

(Escherichia
coli) 		PF00294
(PfkB) 		5 GLY A 255
GLY A  40
THR A   8
LEU A   9
ASP A 166
 ATP  A 401 (-3.3A)
None
None
None
MG  A 403 (-3.1A)
 1.07A 2oxtA-3uqeA:
undetectable		 2oxtA-3uqeA:
21.41
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.
3v3t CELL DIVISION GTPASE
FTSZ, DIVERGED

(Clostridium
botulinum) 		PF00091
(Tubulin) 		5 GLY A 103
GLY A  14
GLY A  11
GLY A  99
ILE A  17
 None
 0.92A 2oxtA-3v3tA:
3.2		 2oxtA-3v3tA:
19.95
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.
3v3t CELL DIVISION GTPASE
FTSZ, DIVERGED

(Clostridium
botulinum) 		PF00091
(Tubulin) 		5 GLY A 103
GLY A  14
GLY A  11
GLY A  99
VAL A  93
 None
 0.85A 2oxtA-3v3tA:
3.2		 2oxtA-3v3tA:
19.95
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.
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)
 0.70A 2oxtA-3vc1A:
8.8		 2oxtA-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.
4b45 CELL DIVISION
PROTEIN FTSZ

(Haloferax
volcanii) 		PF00091
(Tubulin) 		5 GLY A 110
GLY A  12
GLY A   9
GLY A 106
VAL A 100
 None
None
GSP  A1342 (-3.5A)
GSP  A1342 (-3.9A)
None
 0.98A 2oxtA-4b45A:
2.9		 2oxtA-4b45A:
23.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b46 CELL DIVISION
PROTEIN FTSZ

(Haloferax
volcanii) 		PF00091
(Tubulin) 		5 GLY A 114
GLY A  12
GLY A   9
GLY A 110
VAL A 104
 None
None
GDP  A1368 (-3.3A)
GDP  A1368 (-3.6A)
None
 1.04A 2oxtA-4b46A:
undetectable		 2oxtA-4b46A:
24.94
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.
4bkw ZINC FINGER FYVE
DOMAIN-CONTAINING
PROTEIN 9

(Homo sapiens) 		PF11979
(DUF3480) 		5 GLY A1363
GLY A1285
GLY A1381
GLY A1378
VAL A1280
 None
 0.97A 2oxtA-4bkwA:
undetectable		 2oxtA-4bkwA:
20.69
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.
4e7n SNAKE-VENOM
THROMBIN-LIKE ENZYME

(Gloydius halys) 		PF00089
(Trypsin) 		6 GLY A 142
GLY A  44
GLY A 196
GLY A 193
THR A  54
LEU A  53
 None
 1.42A 2oxtA-4e7nA:
undetectable		 2oxtA-4e7nA:
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.
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
 1.03A 2oxtA-4f36A:
undetectable		 2oxtA-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
 0.74A 2oxtA-4f85A:
8.9		 2oxtA-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.
4ic6 PROTEASE DO-LIKE 8,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 GLY A 290
GLY A 157
GLY A 294
ILE A 166
VAL A 131
 None
 0.96A 2oxtA-4ic6A:
undetectable		 2oxtA-4ic6A:
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.
4ihe THNT PROTEIN

(Streptomyces
cattleya) 		PF03576
(Peptidase_S58) 		6 GLY A 107
GLY A 185
GLY A  56
GLY A 103
THR A 186
ILE A 197
 None
 1.35A 2oxtA-4iheA:
undetectable		 2oxtA-4iheA:
21.53
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.
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 2oxtA-4jj6A:
2.9		 2oxtA-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  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
ASP A 146
 SAH  A1001 (-3.1A)
SAH  A1001 (-3.3A)
SAH  A1001 ( 3.7A)
SAH  A1001 (-3.2A)
SAH  A1001 (-3.9A)
SAH  A1001 (-4.7A)
SAH  A1001 (-3.6A)
 0.51A 2oxtA-4k6mA:
39.4		 2oxtA-4k6mA:
16.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k6m POLYPROTEIN

(Japanese
encephalitis
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		5 GLY A  81
GLY A  83
GLY A  86
THR A 104
GLU A 111
 SAH  A1001 (-3.3A)
SAH  A1001 ( 3.7A)
SAH  A1001 (-3.2A)
SAH  A1001 (-4.7A)
SO4  A1011 (-4.9A)
 0.65A 2oxtA-4k6mA:
39.4		 2oxtA-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.
4n49 CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1

(Homo sapiens) 		PF01728
(FtsJ) 		5 GLY A 279
GLY A 282
THR A 301
LEU A 302
ASP A 364
 SAM  A 601 (-3.5A)
SAM  A 601 (-3.1A)
SAM  A 601 (-4.1A)
SAM  A 601 (-4.1A)
SAM  A 601 (-3.6A)
 0.52A 2oxtA-4n49A:
16.3		 2oxtA-4n49A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4opm LIPASE

(Acinetobacter
baumannii) 		PF12697
(Abhydrolase_6) 		5 GLY A 171
GLY A 146
LEU A  73
ILE A 301
VAL A 167
 15P  A 401 (-3.6A)
None
None
None
None
 0.86A 2oxtA-4opmA:
undetectable		 2oxtA-4opmA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rvs PROBABLE QUINONE
REDUCTASE QOR
(NADPH:QUINONE
REDUCTASE)
(ZETA-CRYSTALLIN
HOMOLOG PROTEIN)

(Mycobacterium
tuberculosis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 261
GLY A 211
GLY A 213
THR A 209
LEU A 208
 None
 0.95A 2oxtA-4rvsA:
5.4		 2oxtA-4rvsA:
21.45
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.
4xcq TUBZ

(Clostridium
phage c-st) 		PF00091
(Tubulin) 		5 GLY A 103
GLY A  14
GLY A  11
GLY A  99
ILE A  17
 None
None
GDP  A 401 (-3.4A)
GDP  A 401 (-3.3A)
None
 0.93A 2oxtA-4xcqA:
2.7		 2oxtA-4xcqA:
18.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xcq TUBZ

(Clostridium
phage c-st) 		PF00091
(Tubulin) 		5 GLY A 103
GLY A  14
GLY A  11
GLY A  99
VAL A  93
 None
None
GDP  A 401 (-3.4A)
GDP  A 401 (-3.3A)
None
 0.88A 2oxtA-4xcqA:
2.7		 2oxtA-4xcqA:
18.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xyb FORMATE
DEHYDROGENASE

(Granulicella
mallensis) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 GLY A 341
GLY A 122
GLY A 336
THR A 120
ILE A  95
 None
AZI  A 402 (-3.6A)
NDP  A 401 (-3.3A)
None
None
 1.05A 2oxtA-4xybA:
5.3		 2oxtA-4xybA:
22.70
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.
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
 0.95A 2oxtA-4ynnA:
undetectable		 2oxtA-4ynnA:
21.18
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  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
ASP A 146
 SAM  A 301 (-3.2A)
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)
 0.33A 2oxtA-5e9qA:
39.4		 2oxtA-5e9qA:
50.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e9q GENOME POLYPROTEIN

(Dengue virus) 		PF01728
(FtsJ) 		6 GLY A  58
GLY A  83
GLY A  86
TRP A  87
GLU A 111
ASP A 146
 SAM  A 301 (-3.2A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.6A)
SAM  A 301 ( 3.4A)
SAM  A 301 (-3.8A)
 0.73A 2oxtA-5e9qA:
39.4		 2oxtA-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.
5h36 UNCHARACTERIZED
PROTEIN TRIC

(Rhodobacter
sphaeroides) 		no annotation 5 GLY E  73
GLY E  43
GLY E  39
THR E  42
LEU E 135
 None
 1.07A 2oxtA-5h36E:
undetectable		 2oxtA-5h36E:
23.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hxw L-AMINO ACID
DEAMINASE

(Proteus
vulgaris) 		PF01266
(DAO) 		5 GLY A  98
GLY A 437
GLY A 439
THR A 436
ILE A 413
 FAD  A 501 (-3.8A)
16A  A 504 ( 3.8A)
FAD  A 501 (-3.1A)
FAD  A 501 (-4.0A)
16A  A 504 ( 4.1A)
 0.84A 2oxtA-5hxwA:
undetectable		 2oxtA-5hxwA:
19.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i1w CRMK

(Actinoalloteichus
sp. WH1-2216-6) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 GLY A 122
GLY A 130
GLY A 128
LEU A  81
ILE A 197
 FAD  A 601 (-3.2A)
FAD  A 601 (-3.6A)
FAD  A 601 (-3.7A)
FAD  A 601 (-4.7A)
FAD  A 601 (-3.6A)
 1.06A 2oxtA-5i1wA:
undetectable		 2oxtA-5i1wA:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i39 L-AMINO ACID
DEAMINASE

(Proteus
vulgaris) 		PF01266
(DAO) 		5 GLY A  98
GLY A 437
GLY A 439
THR A 436
ILE A 413
 FAD  A 501 (-3.7A)
EDO  A 507 ( 3.7A)
FAD  A 501 (-3.2A)
FAD  A 501 (-3.9A)
EDO  A 507 ( 4.3A)
 0.80A 2oxtA-5i39A:
undetectable		 2oxtA-5i39A:
20.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ikm NS5 METHYL
TRANSFERASE

(Dengue virus) 		PF01728
(FtsJ) 		7 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
ASP A 146
 SAM  A 311 (-3.3A)
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)
SAM  A 311 (-3.8A)
 0.31A 2oxtA-5ikmA:
38.9		 2oxtA-5ikmA:
49.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ikm NS5 METHYL
TRANSFERASE

(Dengue virus) 		PF01728
(FtsJ) 		7 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
GLU A 111
 SAM  A 311 (-3.3A)
SAM  A 311 (-3.2A)
SAM  A 311 (-3.3A)
SAM  A 311 (-3.3A)
SAM  A 311 (-3.5A)
SAM  A 311 (-4.5A)
None
 0.50A 2oxtA-5ikmA:
38.9		 2oxtA-5ikmA:
49.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ikm NS5 METHYL
TRANSFERASE

(Dengue virus) 		PF01728
(FtsJ) 		6 GLY A  81
GLY A  58
GLY A  86
GLY A  83
THR A  59
ASP A 146
 SAM  A 311 (-3.2A)
SAM  A 311 (-3.3A)
SAM  A 311 (-3.3A)
SAM  A 311 (-3.3A)
None
SAM  A 311 (-3.8A)
 1.32A 2oxtA-5ikmA:
38.9		 2oxtA-5ikmA:
49.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jjr GENOME POLYPROTEIN

(Dengue virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		7 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
ASP A 146
 SAH  A1003 (-3.2A)
SAH  A1003 (-3.4A)
SAH  A1003 (-3.5A)
SAH  A1003 (-3.0A)
SAH  A1003 (-3.4A)
SAH  A1003 (-4.6A)
SAH  A1003 (-3.8A)
 0.27A 2oxtA-5jjrA:
39.0		 2oxtA-5jjrA:
18.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jjr GENOME POLYPROTEIN

(Dengue virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		7 GLY A  58
GLY A  83
GLY A  86
TRP A  87
THR A 104
GLU A 111
ASP A 146
 SAH  A1003 (-3.2A)
SAH  A1003 (-3.5A)
SAH  A1003 (-3.0A)
SAH  A1003 (-3.4A)
SAH  A1003 (-4.6A)
SAH  A1003 (-3.3A)
SAH  A1003 (-3.8A)
 0.69A 2oxtA-5jjrA:
39.0		 2oxtA-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.
5ksd ATPASE 2, PLASMA
MEMBRANE-TYPE

(Arabidopsis
thaliana) 		PF00122
(E1-E2_ATPase)
PF00690
(Cation_ATPase_N)
PF00702
(Hydrolase) 		5 GLY A  98
GLY A 283
LEU A 280
ILE A 656
VAL A 676
 None
 0.94A 2oxtA-5ksdA:
undetectable		 2oxtA-5ksdA:
14.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lae PEROXISOMAL
N(1)-ACETYL-SPERMINE
/SPERMIDINE
OXIDASE,PEROXISOMAL
N(1)-ACETYL-SPERMINE
/SPERMIDINE OXIDASE

(Mus musculus) 		PF01593
(Amino_oxidase) 		5 GLY A 482
GLY A  12
GLY A  14
GLY A  19
VAL A 280
 None
FAD  A1801 (-3.2A)
FAD  A1801 (-3.3A)
None
FAD  A1801 (-4.1A)
 0.82A 2oxtA-5laeA:
undetectable		 2oxtA-5laeA:
22.20
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.
5lsm FMN-DEPENDENT
NITRONATE
MONOOXYGENASE

(Shewanella
oneidensis) 		PF03060
(NMO) 		5 GLY A 176
GLY A 216
GLY A 325
THR A 197
LEU A 201
 None
FMN  A 401 (-3.5A)
FMN  A 401 ( 4.1A)
None
None
 1.01A 2oxtA-5lsmA:
undetectable		 2oxtA-5lsmA:
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.
5nju GENOME POLYPROTEIN

(Zika virus) 		no annotation 6 GLY A  58
GLY A  81
GLY A  83
GLY A  86
THR A 104
GLU A 111
 SAH  A1001 (-3.3A)
SAH  A1001 (-3.4A)
SAH  A1001 (-3.4A)
SAH  A1001 (-3.3A)
SAH  A1001 (-4.4A)
None
 0.52A 2oxtA-5njuA:
38.8		 2oxtA-5njuA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nju GENOME POLYPROTEIN

(Zika virus) 		no annotation 7 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
ASP A 146
 SAH  A1001 (-3.3A)
SAH  A1001 (-3.4A)
SAH  A1001 (-3.4A)
SAH  A1001 (-3.3A)
SAH  A1001 (-3.5A)
SAH  A1001 (-4.4A)
SAH  A1001 (-3.7A)
 0.20A 2oxtA-5njuA:
38.8		 2oxtA-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.
5svc ACETONE CARBOXYLASE
ALPHA SUBUNIT

(Xanthobacter
autotrophicus) 		PF02538
(Hydantoinase_B) 		5 GLY A 624
GLY A 547
GLY A 627
GLY A 509
ASP A 545
 None
 1.05A 2oxtA-5svcA:
undetectable		 2oxtA-5svcA:
16.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tmh POLYPROTEIN

(Zika virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		7 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
ASP A 146
 SAH  A1001 (-3.2A)
SAH  A1001 (-3.4A)
SAH  A1001 ( 3.8A)
SAH  A1001 (-3.6A)
SAH  A1001 (-3.5A)
SAH  A1001 ( 4.9A)
SAH  A1001 (-3.8A)
 0.34A 2oxtA-5tmhA:
38.1		 2oxtA-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
 1.03A 2oxtA-5u2iA:
undetectable		 2oxtA-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.
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)
 0.96A 2oxtA-5ud0A:
undetectable		 2oxtA-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.
5xm3 GLUCOSE
DEHYDROGENASE

(Methylophaga
aminisulfidivorans) 		no annotation 5 GLY A  87
GLY A 509
GLY A 549
LEU A 440
VAL A 340
 None
 1.05A 2oxtA-5xm3A:
undetectable		 2oxtA-5xm3A:
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.
5ze3 LYSYL OXIDASE
HOMOLOG 2

(Homo sapiens) 		no annotation 5 GLY A 750
GLY A 345
GLU A 346
ILE A 403
VAL A 341
 None
 1.04A 2oxtA-5ze3A:
undetectable		 2oxtA-5ze3A:
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.
6aqy GDP-L-FUCOSE
SYNTHETASE

(Naegleria
fowleri) 		PF01370
(Epimerase) 		5 GLY A  23
GLY A  49
GLY A  53
THR A  25
VAL A  21
 None
 0.98A 2oxtA-6aqyA:
4.4		 2oxtA-6aqyA:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f45 -

(-) 		no annotation 5 GLY D 224
GLY D 228
GLY D 153
GLY D 215
HIS D 134
 None
 1.01A 2oxtA-6f45D:
undetectable		 2oxtA-6f45D:
undetectable