SIMILAR PATTERNS OF AMINO ACIDS FOR 3ELU_A_SAMA4633_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.
1dab P.69 PERTACTIN

(Bordetella
pertussis) 		PF03212
(Pertactin) 		5 GLY A  11
GLY A  44
THR A  78
PHE A  56
ILE A  35
 None
 1.07A 3eluA-1dabA:
undetectable		 3eluA-1dabA:
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.
1dle COMPLEMENT FACTOR B

(Homo sapiens) 		PF00089
(Trypsin) 		5 GLY A  44
GLY A 196
GLY A 193
THR A  54
VAL A  52
 None
 1.10A 3eluA-1dleA:
undetectable		 3eluA-1dleA:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.27A 3eluA-1eizA:
14.8		 3eluA-1eizA:
22.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.92A 3eluA-1gpeA:
undetectable		 3eluA-1gpeA:
19.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ii2 PHOSPHOENOLPYRUVATE
CARBOXYKINASE

(Trypanosoma
cruzi) 		PF01293
(PEPCK_ATP) 		5 GLY A 224
GLY A 226
LEU A 222
ASN A 363
VAL A 364
 SO4  A   1 (-3.2A)
SO4  A   1 (-3.3A)
None
None
None
 1.01A 3eluA-1ii2A:
undetectable		 3eluA-1ii2A:
19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ir6 EXONUCLEASE RECJ

(Thermus
thermophilus) 		PF01368
(DHH)
PF02272
(DHHA1) 		5 GLY A  85
GLY A 138
GLY A 116
GLY A  79
ILE A 139
 None
 1.04A 3eluA-1ir6A:
2.1		 3eluA-1ir6A:
20.96
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.
1iwp GLYCEROL DEHYDRATASE
ALPHA SUBUNIT

(Klebsiella
pneumoniae) 		PF02286
(Dehydratase_LU) 		5 GLY A 262
GLY A 308
GLY A 305
GLY A 264
ILE A 314
 None
 0.90A 3eluA-1iwpA:
undetectable		 3eluA-1iwpA:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kfi PHOSPHOGLUCOMUTASE 1

(Paramecium
tetraurelia) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 GLY A  65
GLY A 243
GLY A 240
GLY A  67
PHE A 250
 None
 0.96A 3eluA-1kfiA:
undetectable		 3eluA-1kfiA:
19.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kpl PUTATIVE CLC FAMILY,
CHLORINE TRANSPORT
PROTEIN

(Salmonella
enterica) 		PF00654
(Voltage_CLC) 		5 GLY A 351
GLY A 149
GLY A 108
GLY A 105
PHE A 190
 None
CL  A 503 ( 3.7A)
None
None
None
 0.87A 3eluA-1kplA:
undetectable		 3eluA-1kplA:
21.46
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.
1l2q MONOMETHYLAMINE
METHYLTRANSFERASE

(Methanosarcina
barkeri) 		PF05369
(MtmB) 		5 GLY A 387
GLY A 129
GLY A 366
THR A 131
ILE A 156
 None
None
None
XPL  A 202 ( 4.5A)
None
 0.75A 3eluA-1l2qA:
undetectable		 3eluA-1l2qA:
22.45
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.
1lnz SPO0B-ASSOCIATED
GTP-BINDING PROTEIN

(Bacillus
subtilis) 		PF01018
(GTP1_OBG)
PF01926
(MMR_HSR1) 		5 GLY A 146
GLY A 123
GLY A  16
GLY A  41
PHE A 129
 None
 0.83A 3eluA-1lnzA:
undetectable		 3eluA-1lnzA:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nw1 CHOLINE KINASE (49.2
KD)

(Caenorhabditis
elegans) 		PF01633
(Choline_kinase) 		5 GLY A  84
GLY A 259
VAL A 180
PHE A 251
ASP A 301
 None
 0.95A 3eluA-1nw1A:
undetectable		 3eluA-1nw1A:
20.78
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) 		10 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
VAL A 132
PHE A 133
ASP A 146
ILE A 147
 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 (-3.5A)
SAH  A 887 (-4.1A)
SAH  A 887 (-3.9A)
SAH  A 887 ( 4.2A)
 0.46A 3eluA-1r6aA:
38.9		 3eluA-1r6aA:
52.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v6m GALACTOSE-BINDING
LECTIN

(Arachis
hypogaea) 		PF00139
(Lectin_legB) 		5 GLY A  22
GLY A 102
GLY A 107
GLY A  44
THR A 105
 None
 0.97A 3eluA-1v6mA:
undetectable		 3eluA-1v6mA:
19.67
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.
1w18 LEVANSUCRASE

(Gluconacetobacter
diazotrophicus) 		PF02435
(Glyco_hydro_68) 		5 GLY A 195
GLY A 537
THR A 138
LEU A 139
PHE A 279
 None
 0.99A 3eluA-1w18A:
undetectable		 3eluA-1w18A:
21.00
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.
2dup VESICULAR
INTEGRAL-MEMBRANE
PROTEIN VIP36

(Canis lupus) 		PF03388
(Lectin_leg-like) 		5 GLY A 132
GLY A 130
GLY A 260
THR A 163
ILE A 133
 None
GOL  A   7 ( 4.9A)
GOL  A   7 (-3.6A)
None
None
 1.01A 3eluA-2dupA:
undetectable		 3eluA-2dupA:
22.39
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.
2etv IRON(III) ABC
TRANSPORTER,
PERIPLASMIC
IRON-BINDING
PROTEIN, PUTATIVE

(Thermotoga
maritima) 		PF01497
(Peripla_BP_2) 		5 GLY A  91
GLY A  45
GLY A  93
THR A 115
LEU A 136
 None
None
MLY  A  97 ( 4.2A)
None
None
 1.09A 3eluA-2etvA:
undetectable		 3eluA-2etvA:
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.
2hb6 LEUCINE
AMINOPEPTIDASE 1

(Caenorhabditis
elegans) 		PF00883
(Peptidase_M17) 		5 GLY A 442
GLY A 337
GLY A 438
VAL A 254
ILE A 340
 None
SO4  A 492 (-3.3A)
None
None
None
 1.05A 3eluA-2hb6A:
undetectable		 3eluA-2hb6A:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iu4 DIHYDROXYACETONE
KINASE

(Lactococcus
lactis) 		PF02733
(Dak1) 		5 GLY A 213
GLY A 259
GLY A 302
GLY A 186
THR A 263
 SO4  A1370 (-3.5A)
None
None
None
None
 1.08A 3eluA-2iu4A:
undetectable		 3eluA-2iu4A:
21.47
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.
2k0l OUTER MEMBRANE
PROTEIN A

(Klebsiella
pneumoniae) 		PF01389
(OmpA_membrane) 		5 GLY A  59
GLY A 101
GLY A  67
ASN A 167
VAL A 166
 None
 0.79A 3eluA-2k0lA:
undetectable		 3eluA-2k0lA:
20.07
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.
2m7s SERINE/ARGININE-RICH
SPLICING FACTOR 1

(Homo sapiens) 		PF00076
(RRM_1) 		5 GLY A   8
GLY A  53
THR A  52
PHE A  75
ASP A  46
 None
 0.75A 3eluA-2m7sA:
undetectable		 3eluA-2m7sA:
17.31
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.
2nyu PUTATIVE RIBOSOMAL
RNA
METHYLTRANSFERASE 2

(Homo sapiens) 		PF01728
(FtsJ) 		5 GLY A  30
TRP A  36
LEU A  63
VAL A  80
ASP A 104
 SAM  A 201 (-3.5A)
SAM  A 201 (-3.9A)
SAM  A 201 (-4.2A)
SAM  A 201 (-3.9A)
SAM  A 201 (-3.7A)
 0.47A 3eluA-2nyuA:
14.4		 3eluA-2nyuA:
25.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nzo PROTEIN CSAA

(Bacillus
subtilis) 		PF01588
(tRNA_bind) 		5 GLY A  15
GLY A 106
THR A  14
ASP A  36
ILE A  35
 None
 1.00A 3eluA-2nzoA:
undetectable		 3eluA-2nzoA:
17.00
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) 		8 GLY A  59
GLY A  82
GLY A  84
GLY A  87
TRP A  88
THR A 105
LEU A 106
ASP A 147
 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)
SAM  A 300 (-3.9A)
 0.44A 3eluA-2oxtA:
38.9		 3eluA-2oxtA:
49.82
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) 		6 GLY A  82
GLY A  59
GLY A  87
GLY A  84
THR A  60
ASP A 147
 SAM  A 300 (-3.3A)
SAM  A 300 (-3.1A)
SAM  A 300 (-3.2A)
SAM  A 300 (-3.5A)
None
SAM  A 300 (-3.9A)
 1.27A 3eluA-2oxtA:
38.9		 3eluA-2oxtA:
49.82
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) 		10 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
VAL A 132
PHE A 133
ASP A 146
ILE A 147
 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 (-3.8A)
SAH  A 301 (-4.1A)
SAH  A 301 (-4.2A)
SAH  A 301 ( 4.3A)
 0.56A 3eluA-2oy0A:
38.4		 3eluA-2oy0A:
54.18
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.
2p97 HYPOTHETICAL PROTEIN

(Trichormus
variabilis) 		PF14597
(Lactamase_B_5) 		5 GLY A 181
GLY A 179
GLY A  25
ASP A  22
ILE A  21
 None
 1.06A 3eluA-2p97A:
undetectable		 3eluA-2p97A:
22.26
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.
2pne 6.5 KDA GLYCINE-RICH
ANTIFREEZE PROTEIN

(Hypogastrura
harveyi) 		no annotation 5 GLY A  73
GLY A  63
GLY A  49
GLY A  36
ASP A  75
 None
 0.97A 3eluA-2pneA:
undetectable		 3eluA-2pneA:
12.84
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) 		10 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
VAL A 132
PHE A 133
ASP A 146
ILE A 147
 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)
SAH  A 500 (-4.2A)
SAH  A 500 (-3.6A)
SAH  A 500 ( 4.3A)
 0.38A 3eluA-2px5A:
40.1		 3eluA-2px5A:
54.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2px5 GENOME POLYPROTEIN
[CONTAINS: CAPSID
PROTEIN C (CORE
PROTEIN)
ENVELOPE PROTEIN M
(MATRIX PROTEIN)
MAJOR ENVELOPE
PROTEIN E
NON-STRUCTURAL
PROTEIN 1 (NS1)
NON-STRUCTURAL
PROTEIN 2A (NS2A)
FLAVIVIRIN PROTEASE
NS2B REGULATORY
SUBUNIT
FLAVIVIRIN PROTEASE
NS3 CATALYTIC
SUBUNIT
NON-STRUCTURAL
PROTEIN 4A (NS4A)
NON-STRUCTURAL
PROTEIN 4B (NS4B)
RNA-DIRECTED RNA
POLYMERASE (EC
2.7.7.48) (NS5)]

(Murray Valley
encephalitis
virus) 		PF01728
(FtsJ) 		5 GLY A  81
GLY A  58
GLY A  86
GLY A  83
THR A  59
 SAH  A 500 (-3.4A)
SAH  A 500 (-3.3A)
SAH  A 500 (-3.2A)
SAH  A 500 ( 3.7A)
None
 1.04A 3eluA-2px5A:
40.1		 3eluA-2px5A:
54.29
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.
2q1y CELL DIVISION
PROTEIN FTSZ

(Mycobacterium
tuberculosis) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 GLY A 107
GLY A 104
GLY A  69
THR A 108
ILE A  16
 GSP  A 401 (-3.6A)
GSP  A 401 (-3.6A)
GSP  A 401 (-3.8A)
None
None
 1.06A 3eluA-2q1yA:
undetectable		 3eluA-2q1yA:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q9t DING

(Pseudomonas
fluorescens) 		PF12849
(PBP_like_2) 		5 GLY A 102
GLY A 131
VAL A 116
PHE A 117
ILE A 204
 None
 0.87A 3eluA-2q9tA:
undetectable		 3eluA-2q9tA:
22.02
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.
2qua EXTRACELLULAR LIPASE

(Serratia
marcescens) 		no annotation 5 GLY A 567
GLY A 547
THR A 434
LEU A 435
ILE A 408
 None
 1.02A 3eluA-2quaA:
undetectable		 3eluA-2quaA:
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.
2r9h H(+)/CL(-) EXCHANGE
TRANSPORTER CLCA

(Escherichia
coli) 		PF00654
(Voltage_CLC) 		5 GLY A 351
GLY A 149
GLY A 108
GLY A 105
PHE A 190
 None
CL  A   2 ( 4.2A)
CL  A   1 ( 4.2A)
None
None
 0.85A 3eluA-2r9hA:
undetectable		 3eluA-2r9hA:
20.22
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) 		9 GLY A  59
GLY A  82
GLY A  84
TRP A  88
THR A 105
LEU A 106
VAL A 133
ASP A 147
ILE A 148
 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 (-3.4A)
SAM  A1248 (-3.7A)
SAM  A1248 ( 4.0A)
 0.29A 3eluA-2wa2A:
32.8		 3eluA-2wa2A:
50.69
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.
2xn8 PUTATIVE CYTOCHROME
P450 125

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		5 GLY A  56
GLY A  60
GLY A  62
GLY A  68
ASP A  58
 None
 1.05A 3eluA-2xn8A:
undetectable		 3eluA-2xn8A:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zxh TRNA URIDINE
5-CARBOXYMETHYLAMINO
METHYL MODIFICATION
ENZYME MNMG

(Aquifex
aeolicus) 		PF01134
(GIDA)
PF13932
(GIDA_assoc) 		5 GLY A 376
GLY A 383
ASN A 397
VAL A 393
ILE A 421
 FAD  A 618 (-3.3A)
FAD  A 618 (-2.9A)
None
None
None
 0.99A 3eluA-2zxhA:
undetectable		 3eluA-2zxhA:
21.54
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.
3bog 6.5 KDA GLYCINE-RICH
ANTIFREEZE PROTEIN

(Hypogastrura
harveyi) 		no annotation 5 GLY A  73
GLY A  63
GLY A  49
GLY A  36
ASP A  75
 None
 0.97A 3eluA-3bogA:
undetectable		 3eluA-3bogA:
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.
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)
 0.33A 3eluA-3douA:
14.0		 3eluA-3douA:
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.
3eei 5-METHYLTHIOADENOSIN
E
NUCLEOSIDASE/S-ADENO
SYLHOMOCYSTEINE
NUCLEOSIDASE

(Neisseria
meningitidis) 		PF01048
(PNP_UDP_1) 		5 GLY A  84
GLY A  95
GLY A 147
THR A  96
VAL A 194
 None
 1.09A 3eluA-3eeiA:
undetectable		 3eluA-3eeiA:
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.
3elu METHYLTRANSFERASE

(Wesselsbron
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		12 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
LEU A 105
ASN A 131
VAL A 132
PHE A 133
ASP A 146
ILE A 147
 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 (-3.6A)
SAM  A4633 (-3.4A)
SAM  A4633 (-3.5A)
SAM  A4633 (-3.7A)
SAM  A4633 ( 4.2A)
 0.00A 3eluA-3eluA:
49.6		 3eluA-3eluA:
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.
3evc RNA-DIRECTED RNA
POLYMERASE NS5

(Yellow fever
virus) 		PF01728
(FtsJ) 		9 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
LEU A 105
ASP A 146
ILE A 147
 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)
 0.28A 3eluA-3evcA:
40.9		 3eluA-3evcA:
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.
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)
 1.25A 3eluA-3evcA:
40.9		 3eluA-3evcA:
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.
3f8r THIOREDOXIN
REDUCTASE (TRXB-3)

(Sulfolobus
solfataricus) 		PF07992
(Pyr_redox_2) 		5 GLY A 305
GLY A  22
GLY A  24
GLY A  29
ILE A 121
 None
NAP  A4005 (-3.1A)
NAP  A4005 (-3.3A)
None
NAP  A4005 (-3.8A)
 0.98A 3eluA-3f8rA:
undetectable		 3eluA-3f8rA:
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.
3fi9 MALATE DEHYDROGENASE

(Porphyromonas
gingivalis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A  47
GLY A  13
GLY A  16
GLY A  44
ILE A  11
 None
 0.99A 3eluA-3fi9A:
5.2		 3eluA-3fi9A:
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.
3gcz POLYPROTEIN

(Yokose virus) 		PF01728
(FtsJ) 		11 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
LEU A 105
VAL A 132
PHE A 133
ASP A 146
ILE A 147
 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 (-3.6A)
SAM  A4633 (-3.9A)
SAM  A4633 (-3.7A)
SAM  A4633 ( 4.2A)
 0.20A 3eluA-3gczA:
40.6		 3eluA-3gczA:
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.
3hd6 AMMONIUM TRANSPORTER
RH TYPE C

(Homo sapiens) 		PF00909
(Ammonium_transp) 		5 GLY A 413
GLY A 192
GLY A 409
ASN A 342
ILE A 334
 None
 1.09A 3eluA-3hd6A:
undetectable		 3eluA-3hd6A:
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.
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
 0.94A 3eluA-3hi0A:
undetectable		 3eluA-3hi0A:
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.
3hp7 HEMOLYSIN, PUTATIVE

(Streptococcus
thermophilus) 		PF01479
(S4)
PF01728
(FtsJ) 		5 GLY A  66
GLY A  90
GLY A  95
ASN A 135
ASP A 155
 None
EOH  A 301 ( 3.7A)
None
None
None
 0.44A 3eluA-3hp7A:
14.2		 3eluA-3hp7A:
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.
3ihy PHOSPHATIDYLINOSITOL
3-KINASE CATALYTIC
SUBUNIT TYPE 3

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka) 		5 GLY A 716
GLY A 786
GLY A 788
ASN A 780
ILE A 700
 None
 1.04A 3eluA-3ihyA:
undetectable		 3eluA-3ihyA:
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.
3j9q SHEATH
TUBE

(Pseudomonas
aeruginosa;
Pseudomonas
aeruginosa) 		PF04984
(Phage_sheath_1)
PF17482
(Phage_sheath_1C)
PF04985
(Phage_tube) 		5 GLY S  83
GLY A 317
PHE S  60
ASP S  15
ILE S  14
 None
 1.02A 3eluA-3j9qS:
undetectable		 3eluA-3j9qS:
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.
3jvv TWITCHING MOBILITY
PROTEIN

(Pseudomonas
aeruginosa) 		PF00437
(T2SSE) 		5 GLY A 312
GLY A 309
VAL A 114
PHE A 115
ILE A 282
 None
 1.02A 3eluA-3jvvA:
undetectable		 3eluA-3jvvA:
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.
3kci PROBABLE E3
UBIQUITIN-PROTEIN
LIGASE HERC2

(Homo sapiens) 		PF00415
(RCC1) 		5 GLY A4020
GLY A4010
GLY A4015
THR A3996
LEU A3997
 None
 1.05A 3eluA-3kciA:
undetectable		 3eluA-3kciA:
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.
3lkz NON-STRUCTURAL
PROTEIN 5

(West Nile virus) 		PF01728
(FtsJ) 		10 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
VAL A 132
PHE A 133
ASP A 146
ILE A 147
 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 (-4.1A)
SFG  A 301 (-4.2A)
SFG  A 301 (-3.8A)
SFG  A 301 (-4.1A)
 0.52A 3eluA-3lkzA:
39.8		 3eluA-3lkzA:
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.
3opn PUTATIVE HEMOLYSIN

(Lactococcus
lactis) 		PF01728
(FtsJ) 		5 GLY A  40
GLY A  64
GLY A  69
ASN A 109
ASP A 129
 SO4  A   1 (-3.5A)
None
SO4  A   1 (-3.3A)
None
None
 0.80A 3eluA-3opnA:
13.4		 3eluA-3opnA:
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.
3pbk FATTY ACYL-ADENYLATE
LIGASE

(Escherichia
coli) 		PF00501
(AMP-binding) 		5 GLY A 395
GLY A 418
GLY A 439
LEU A 391
ILE A 396
 None
 1.04A 3eluA-3pbkA:
undetectable		 3eluA-3pbkA:
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.
3pgb PUTATIVE
UNCHARACTERIZED
PROTEIN

(Aspergillus
nidulans) 		PF01179
(Cu_amine_oxid)
PF09248
(DUF1965) 		5 GLY A 615
GLY A 612
VAL A 710
PHE A 562
ILE A 638
 None
 0.92A 3eluA-3pgbA:
undetectable		 3eluA-3pgbA:
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.
3pmq DECAHEME CYTOCHROME
C MTRF

(Shewanella
oneidensis) 		no annotation 5 GLY A 625
GLY A 556
GLY A 627
THR A 555
ILE A 557
 None
 0.94A 3eluA-3pmqA:
undetectable		 3eluA-3pmqA:
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.
3sbu HYPOTHETICAL
NTF2-LIKE PROTEIN

(Bacteroides
fragilis) 		PF14254
(DUF4348) 		5 GLY A 258
GLY A 256
VAL A 137
PHE A 152
ILE A  68
 None
MLY  A 255 ( 2.4A)
None
None
None
 1.00A 3eluA-3sbuA:
undetectable		 3eluA-3sbuA:
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.
3t3o METAL DEPENDENT
HYDROLASE

(Thermus
thermophilus) 		PF07521
(RMMBL)
PF12706
(Lactamase_B_2) 		5 GLY A  40
GLY A  82
GLY A  76
ASP A  38
ILE A  25
 None
 1.05A 3eluA-3t3oA:
undetectable		 3eluA-3t3oA:
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.
3t6s CERJ

(Streptomyces
tendae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 GLY A 328
GLY A 121
GLY A 118
GLY A 326
LEU A  80
 None
 0.79A 3eluA-3t6sA:
undetectable		 3eluA-3t6sA:
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.
3ukf UDP-GALACTOPYRANOSE
MUTASE

(Aspergillus
fumigatus) 		PF13450
(NAD_binding_8) 		5 GLY A 465
GLY A  14
GLY A  16
GLY A  21
ILE A  13
 None
FDA  A 600 (-3.3A)
FDA  A 600 (-3.2A)
None
None
 0.99A 3eluA-3ukfA:
undetectable		 3eluA-3ukfA:
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.
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)
 1.08A 3eluA-3uqeA:
undetectable		 3eluA-3uqeA:
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.
3vc1 GERANYL DIPHOSPHATE
2-C-METHYLTRANSFERAS
E

(Streptomyces
coelicolor) 		PF08241
(Methyltransf_11) 		6 GLY A 105
GLY A 107
GLY A 110
THR A 127
LEU A 128
ASN A 155
 SAH  A 302 (-3.4A)
SAH  A 302 (-3.3A)
None
SAH  A 302 (-4.0A)
SAH  A 302 (-4.1A)
GOL  A 304 ( 3.4A)
 0.77A 3eluA-3vc1A:
8.6		 3eluA-3vc1A:
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.
3w9v PHOSPHATE-BINDING
PROTEIN

(unidentified
prokaryotic
organism) 		PF12849
(PBP_like_2) 		5 GLY A 101
GLY A 130
VAL A 115
PHE A 116
ILE A 208
 None
 0.92A 3eluA-3w9vA:
undetectable		 3eluA-3w9vA:
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.
3zyy IRON-SULFUR CLUSTER
BINDING PROTEIN

(Carboxydothermus
hydrogenoformans) 		PF00111
(Fer2)
PF14574
(DUF4445) 		5 GLY X 379
GLY X 446
GLY X 543
LEU X 452
ILE X 408
 PO4  X 801 ( 4.0A)
None
None
None
None
 1.04A 3eluA-3zyyX:
undetectable		 3eluA-3zyyX:
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.
4auk RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M

(Escherichia
coli) 		PF01728
(FtsJ) 		5 GLY A 219
GLY A 224
TRP A 225
PHE A 262
ASP A 277
 EDO  A1373 (-3.8A)
None
None
None
None
 0.65A 3eluA-4aukA:
13.2		 3eluA-4aukA:
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.
4dsh UDP-GALACTOPYRANOSE
MUTASE

(Trypanosoma
cruzi) 		PF01593
(Amino_oxidase)
PF13450
(NAD_binding_8) 		5 GLY A 441
GLY A  13
GLY A  15
GLY A  20
ILE A  12
 None
FDA  A 502 (-3.3A)
FDA  A 502 (-3.2A)
None
FDA  A 502 (-4.6A)
 0.99A 3eluA-4dshA:
2.8		 3eluA-4dshA:
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.
4evi CONIFERYL ALCOHOL
9-O-METHYLTRANSFERAS
E

(Linum
nodiflorum) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		5 GLY A 208
GLY A 210
LEU A 232
ASN A 252
PHE A 254
 SAH  A 401 (-3.6A)
SAH  A 401 ( 3.8A)
SAH  A 401 ( 4.4A)
SAH  A 401 (-3.3A)
SAH  A 401 ( 4.8A)
 0.64A 3eluA-4eviA:
7.9		 3eluA-4eviA:
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.
4f85 GERANYL DIPHOSPHATE
2-C-METHYLTRANSFERAS
E

(Streptomyces
lasaliensis) 		PF02353
(CMAS) 		6 GLY A 113
GLY A 115
GLY A 118
THR A 135
LEU A 136
ASN A 163
 None
 0.76A 3eluA-4f85A:
7.1		 3eluA-4f85A:
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.
4j9u TRK SYSTEM POTASSIUM
UPTAKE PROTEIN TRKH

(Vibrio
parahaemolyticus) 		PF02386
(TrkH) 		5 GLY A 346
GLY A 354
GLY A 350
THR A 320
ILE A 345
 None
 0.89A 3eluA-4j9uA:
undetectable		 3eluA-4j9uA:
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.
4k6m POLYPROTEIN

(Japanese
encephalitis
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		9 GLY A  58
GLY A  81
GLY A  83
GLY A  86
THR A 104
VAL A 132
PHE A 133
ASP A 146
ILE A 147
 SAH  A1001 (-3.1A)
SAH  A1001 (-3.3A)
SAH  A1001 ( 3.7A)
SAH  A1001 (-3.2A)
SAH  A1001 (-4.7A)
SAH  A1001 (-3.7A)
SAH  A1001 (-4.1A)
SAH  A1001 (-3.6A)
SAH  A1001 ( 4.3A)
 0.52A 3eluA-4k6mA:
39.7		 3eluA-4k6mA:
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.
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)
 0.60A 3eluA-4k6mA:
39.7		 3eluA-4k6mA:
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.
4m00 SERINE-RICH ADHESIN
FOR PLATELETS

(Staphylococcus
aureus) 		PF05345
(He_PIG) 		5 GLY A 331
GLY A 329
GLY A 476
THR A 366
ILE A 332
 None
None
SUC  A 804 (-3.4A)
None
None
 0.97A 3eluA-4m00A:
undetectable		 3eluA-4m00A:
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.
4m01 SERINE-RICH ADHESIN
FOR PLATELETS

(Staphylococcus
aureus) 		no annotation 5 GLY A 331
GLY A 329
GLY A 476
THR A 366
ILE A 332
 None
None
GOL  A 602 (-2.8A)
None
None
 0.98A 3eluA-4m01A:
undetectable		 3eluA-4m01A:
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.
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)
 0.48A 3eluA-4n49A:
15.9		 3eluA-4n49A:
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.
4pel PENICILLIN G ACYLASE
SUBUNIT BETA

(Kluyvera
cryocrescens) 		PF01804
(Penicil_amidase) 		5 GLY B  41
GLY B  61
THR B  62
VAL B 497
ASP B  43
 None
 1.09A 3eluA-4pelB:
undetectable		 3eluA-4pelB:
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.
4qi4 CELLOBIOSE
DEHYDROGENASE

(Crassicarpon
hotsonii) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C) 		5 GLY A 484
GLY A 240
GLY A 238
ASP A 737
ILE A 736
 FAD  A 901 ( 4.3A)
FAD  A 901 (-3.9A)
FAD  A 901 (-3.3A)
FAD  A 901 (-4.3A)
None
 1.06A 3eluA-4qi4A:
2.5		 3eluA-4qi4A:
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.
4qi6 CELLOBIOSE
DEHYDROGENASE

(Crassicarpon
hotsonii) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C)
PF16010
(CDH-cyt) 		5 GLY A 484
GLY A 240
GLY A 238
ASP A 737
ILE A 736
 FAD  A 902 ( 4.2A)
FAD  A 902 (-4.2A)
FAD  A 902 (-3.1A)
FAD  A 902 (-4.8A)
None
 0.95A 3eluA-4qi6A:
2.1		 3eluA-4qi6A:
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.
4qi6 CELLOBIOSE
DEHYDROGENASE

(Crassicarpon
hotsonii) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C)
PF16010
(CDH-cyt) 		5 GLY A 484
GLY A 241
GLY A 236
ASP A 737
ILE A 736
 FAD  A 902 ( 4.2A)
None
FAD  A 902 (-3.5A)
FAD  A 902 (-4.8A)
None
 0.85A 3eluA-4qi6A:
2.1		 3eluA-4qi6A:
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.
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
 0.91A 3eluA-4qi7A:
undetectable		 3eluA-4qi7A:
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.
4rs3 ABC TRANSPORTER,
CARBOHYDRATE UPTAKE
TRANSPORTER-2 (CUT2)
FAMILY, PERIPLASMIC
SUGAR-BINDING
PROTEIN

(Mycolicibacterium
smegmatis) 		PF13407
(Peripla_BP_4) 		5 GLY A 141
GLY A 163
GLY A 169
GLY A 174
ASN A  73
 None
None
XYL  A 401 ( 3.8A)
ACT  A 433 (-3.5A)
None
 0.94A 3eluA-4rs3A:
undetectable		 3eluA-4rs3A:
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.
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
 1.10A 3eluA-4rvsA:
5.6		 3eluA-4rvsA:
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.
4xcq TUBZ

(Clostridium
phage c-st) 		PF00091
(Tubulin) 		5 GLY A  57
GLY A 101
GLY A  59
THR A  95
ILE A  10
 None
GDP  A 401 (-3.3A)
None
GDP  A 401 (-3.0A)
None
 0.84A 3eluA-4xcqA:
undetectable		 3eluA-4xcqA:
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.
4yqy PUTATIVE
DEHYDROGENASE

(Sulfitobacter
sp. NAS-14.1) 		PF13561
(adh_short_C2) 		5 GLY A  18
GLY A  13
GLY A  42
ASP A  16
ILE A  17
 None
 0.92A 3eluA-4yqyA:
4.5		 3eluA-4yqyA:
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.
4zqg 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Moraxella
catarrhalis) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		5 GLY A  87
GLY A  12
GLY A  39
THR A  14
ILE A  10
 None
NAD  A 501 (-3.3A)
NAD  A 501 (-3.6A)
NAD  A 501 (-3.6A)
None
 0.88A 3eluA-4zqgA:
undetectable		 3eluA-4zqgA:
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.
5e9q GENOME POLYPROTEIN

(Dengue virus) 		PF01728
(FtsJ) 		10 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
VAL A 132
PHE A 133
ASP A 146
ILE A 147
 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 (-3.6A)
SAM  A 301 (-4.4A)
SAM  A 301 (-3.8A)
SAM  A 301 ( 4.2A)
 0.52A 3eluA-5e9qA:
39.0		 3eluA-5e9qA:
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.
5ee4 HPUA

(Kingella
denitrificans) 		PF16960
(HpuA) 		5 GLY A 209
ASN A 297
VAL A 288
PHE A 290
ILE A 235
 None
 1.07A 3eluA-5ee4A:
undetectable		 3eluA-5ee4A:
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.
5ikm NS5 METHYL
TRANSFERASE

(Dengue virus) 		PF01728
(FtsJ) 		10 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
VAL A 132
PHE A 133
ASP A 146
ILE A 147
 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 (-3.7A)
SAM  A 311 ( 4.4A)
SAM  A 311 (-3.8A)
SAM  A 311 ( 4.3A)
 0.43A 3eluA-5ikmA:
39.4		 3eluA-5ikmA:
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.
5ikm NS5 METHYL
TRANSFERASE

(Dengue virus) 		PF01728
(FtsJ) 		5 GLY A  81
GLY A  58
GLY A  86
GLY A  83
THR A  59
 SAM  A 311 (-3.2A)
SAM  A 311 (-3.3A)
SAM  A 311 (-3.3A)
SAM  A 311 (-3.3A)
None
 1.02A 3eluA-5ikmA:
39.4		 3eluA-5ikmA:
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.
5jjr GENOME POLYPROTEIN

(Dengue virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		10 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
VAL A 132
PHE A 133
ASP A 146
ILE A 147
 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 (-3.7A)
SAH  A1003 (-4.2A)
SAH  A1003 (-3.8A)
SAH  A1003 ( 4.3A)
 0.44A 3eluA-5jjrA:
39.0		 3eluA-5jjrA:
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.
5kdr ACETYL-COENZYME A
CARBOXYLASE CARBOXYL
TRANSFERASE SUBUNIT
ALPHA

(Staphylococcus
aureus) 		PF03255
(ACCA) 		5 GLY A 197
GLY A 205
GLY A 200
PHE A 283
ILE A 191
 None
 1.07A 3eluA-5kdrA:
undetectable		 3eluA-5kdrA:
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.
5mpt CITRININ POLYKETIDE
SYNTHASE

(Monascus
purpureus) 		PF08242
(Methyltransf_12) 		5 GLY A1992
GLY A1994
GLY A1997
LEU A2020
ASN A2044
 SAH  A2201 (-3.2A)
SAH  A2201 (-3.0A)
SAH  A2201 (-3.5A)
SAH  A2201 (-3.7A)
SAH  A2201 (-2.8A)
 0.68A 3eluA-5mptA:
6.1		 3eluA-5mptA:
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.
5my0 FATTY ACID SYNTHASE

(Mus musculus) 		no annotation 5 GLY B 571
GLY B 807
THR B 806
LEU B 805
VAL B 485
 None
 1.02A 3eluA-5my0B:
undetectable		 3eluA-5my0B:
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 10 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
VAL A 132
PHE A 133
ASP A 146
ILE A 147
 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 (-3.6A)
SAH  A1001 (-4.2A)
SAH  A1001 (-3.7A)
SAH  A1001 (-4.2A)
 0.35A 3eluA-5njuA:
38.1		 3eluA-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
 1.09A 3eluA-5svcA:
undetectable		 3eluA-5svcA:
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) 		10 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
VAL A 132
PHE A 133
ASP A 146
ILE A 147
 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 (-4.0A)
SAH  A1001 (-4.2A)
SAH  A1001 (-3.8A)
SAH  A1001 ( 4.8A)
 0.36A 3eluA-5tmhA:
38.5		 3eluA-5tmhA:
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.
5uh0 MEMBRANE-BOUND LYTIC
MUREIN
TRANSGLYCOSYLASE F

(Yersinia pestis) 		PF00497
(SBP_bac_3) 		5 GLY A 108
GLY A 184
VAL A 133
ASP A 202
ILE A 206
 None
 0.92A 3eluA-5uh0A:
undetectable		 3eluA-5uh0A:
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.
6bj9 ACETYL-COA
ACETYLTRANSFERASE A

(Ascaris suum) 		no annotation 5 GLY A 383
GLY A 289
VAL A 165
PHE A 169
ILE A 290
 None
 1.02A 3eluA-6bj9A:
undetectable		 3eluA-6bj9A:
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.
6f74 ALCOHOL OXIDASE

(Thermothelomyces
thermophila) 		no annotation 5 GLY A 239
GLY A 295
GLY A 293
GLY A 291
ILE A 296
 FAD  A 601 (-3.5A)
None
None
None
None
 0.93A 3eluA-6f74A:
undetectable		 3eluA-6f74A:
undetectable