SIMILAR PATTERNS OF AMINO ACIDS FOR 3GCZ_A_SAMA4633

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dj2 ADENYLOSUCCINATE
SYNTHETASE

(Arabidopsis
thaliana) 		PF00709
(Adenylsucc_synt) 		5 GLY A 241
GLY A  88
GLY A  90
GLY A  53
ASP A 221
 None
 1.04A 3gczA-1dj2A:
undetectable		 3gczA-1dj2A:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dj2 ADENYLOSUCCINATE
SYNTHETASE

(Arabidopsis
thaliana) 		PF00709
(Adenylsucc_synt) 		5 SER A 259
GLY A  88
GLY A  90
GLY A  53
ASP A 221
 None
 1.05A 3gczA-1dj2A:
undetectable		 3gczA-1dj2A:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1eiz FTSJ

(Escherichia
coli) 		PF01728
(FtsJ) 		6 GLY A  59
GLY A  64
TRP A  65
LEU A  84
ASP A  99
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 (-3.5A)
SAM  A 301 (-3.6A)
 0.58A 3gczA-1eizA:
15.6		 3gczA-1eizA:
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.
1f8f BENZYL ALCOHOL
DEHYDROGENASE

(Acinetobacter
calcoaceticus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 SER A 144
GLY A  64
GLY A 169
LEU A 167
ASP A 340
 None
 1.00A 3gczA-1f8fA:
3.7		 3gczA-1f8fA:
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.
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 3gczA-1ir6A:
2.3		 3gczA-1ir6A:
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.
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
 0.95A 3gczA-1iwpA:
undetectable		 3gczA-1iwpA:
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.
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
 0.77A 3gczA-1l2qA:
undetectable		 3gczA-1l2qA:
20.22
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.
1mza PRO-GRANZYME K

(Homo sapiens) 		PF00089
(Trypsin) 		5 GLY A  44
GLY A 142
GLY A 193
GLY A 196
ASP A 145
 None
 1.03A 3gczA-1mzaA:
undetectable		 3gczA-1mzaA:
20.21
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.
1p9b ADENYLOSUCCINATE
SYNTHETASE

(Plasmodium
falciparum) 		PF00709
(Adenylsucc_synt) 		6 SER A 249
GLY A  82
GLY A  84
GLY A  48
ASP A 211
VAL A 212
 None
 1.04A 3gczA-1p9bA:
undetectable		 3gczA-1p9bA:
18.20
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.
1pcv OSMOTIN

(Nicotiana
tabacum) 		PF00314
(Thaumatin) 		5 GLY A  76
GLY A 103
GLY A  64
LEU A 137
ASP A 102
 None
 1.02A 3gczA-1pcvA:
undetectable		 3gczA-1pcvA:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1php 3-PHOSPHOGLYCERATE
KINASE

(Geobacillus
stearothermophilus) 		PF00162
(PGK) 		5 SER A 353
GLY A 350
GLY A 317
ASP A 213
VAL A 212
 ADP  A 396 (-2.6A)
ADP  A 396 (-3.6A)
ADP  A 396 ( 3.9A)
None
None
 0.96A 3gczA-1phpA:
2.1		 3gczA-1phpA:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qzz ACLACINOMYCIN-10-HYD
ROXYLASE

(Streptomyces
purpurascens) 		PF00891
(Methyltransf_2) 		5 GLY A 190
GLY A 192
GLY A 195
LEU A 214
ASP A 240
 SAM  A 635 (-3.8A)
SAM  A 635 (-3.5A)
ACT  A 421 (-3.9A)
SAM  A 635 (-4.2A)
SAM  A 635 (-3.7A)
 0.74A 3gczA-1qzzA:
8.8		 3gczA-1qzzA:
20.82
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) 		11 SER A  56
GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
ASP A 131
VAL A 132
ASP A 146
ILE A 147
 SAH  A 887 ( 2.8A)
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 ( 3.3A)
SAH  A 887 (-3.5A)
SAH  A 887 (-3.9A)
SAH  A 887 ( 4.2A)
 0.39A 3gczA-1r6aA:
39.9		 3gczA-1r6aA:
54.65
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.
1r8y GLYCINE
N-METHYLTRANSFERASE

(Mus musculus) 		PF13847
(Methyltransf_31) 		5 SER A 139
GLY A 137
GLY A  68
GLY A  66
ASP A  70
 None
 0.96A 3gczA-1r8yA:
7.6		 3gczA-1r8yA:
20.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.93A 3gczA-1v6mA:
undetectable		 3gczA-1v6mA:
18.69
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.
1xc3 PUTATIVE
FRUCTOKINASE

(Bacillus
subtilis) 		PF00480
(ROK) 		5 GLY A  71
GLY A  54
GLY A  56
THR A 280
ILE A  53
 None
 1.01A 3gczA-1xc3A:
undetectable		 3gczA-1xc3A:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xhd PUTATIVE
ACETYLTRANSFERASE/AC
YLTRANSFERASE

(Bacillus cereus) 		PF00132
(Hexapep) 		5 SER A 100
GLY A  97
GLY A 134
GLY A 117
ILE A 140
 None
 0.93A 3gczA-1xhdA:
undetectable		 3gczA-1xhdA:
18.31
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.
1y6j L-LACTATE
DEHYDROGENASE

(Ruminiclostridium
thermocellum) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 SER A 147
GLY A 148
GLY A 146
VAL A 315
ASP A 127
 None
 1.00A 3gczA-1y6jA:
4.4		 3gczA-1y6jA:
20.54
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.
2b25 HYPOTHETICAL PROTEIN

(Homo sapiens) 		PF08704
(GCD14) 		5 GLY A 111
GLY A 113
GLY A 116
ASP A 173
ASP A 192
 SAM  A 601 (-2.9A)
SAM  A 601 (-3.2A)
SAM  A 601 (-3.5A)
SAM  A 601 (-3.4A)
SAM  A 601 (-3.5A)
 0.70A 3gczA-2b25A:
9.1		 3gczA-2b25A:
23.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.02A 3gczA-2dupA:
undetectable		 3gczA-2dupA:
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.
2nyu PUTATIVE RIBOSOMAL
RNA
METHYLTRANSFERASE 2

(Homo sapiens) 		PF01728
(FtsJ) 		6 GLY A  30
TRP A  36
LEU A  63
ASP A  79
VAL A  80
ASP A 104
 SAM  A 201 (-3.5A)
SAM  A 201 (-3.9A)
SAM  A 201 (-4.2A)
SAM  A 201 (-3.3A)
SAM  A 201 (-3.9A)
SAM  A 201 (-3.7A)
 0.52A 3gczA-2nyuA:
14.8		 3gczA-2nyuA:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nyu PUTATIVE RIBOSOMAL
RNA
METHYLTRANSFERASE 2

(Homo sapiens) 		PF01728
(FtsJ) 		6 SER A   4
GLY A  30
TRP A  36
LEU A  63
ASP A  79
ASP A 104
 SAM  A 201 ( 4.8A)
SAM  A 201 (-3.5A)
SAM  A 201 (-3.9A)
SAM  A 201 (-4.2A)
SAM  A 201 (-3.3A)
SAM  A 201 (-3.7A)
 0.69A 3gczA-2nyuA:
14.8		 3gczA-2nyuA:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.97A 3gczA-2nzoA:
undetectable		 3gczA-2nzoA:
18.96
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) 		10 SER A  57
GLY A  59
GLY A  82
GLY A  84
GLY A  87
TRP A  88
THR A 105
LEU A 106
ASP A 132
ASP A 147
 SAM  A 300 (-2.6A)
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)
SAM  A 300 (-3.9A)
 0.36A 3gczA-2oxtA:
40.6		 3gczA-2oxtA:
49.07
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) 		11 SER A  56
GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
ASP A 131
VAL A 132
ASP A 146
ILE A 147
 SAH  A 301 (-3.0A)
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 (-3.2A)
SAH  A 301 (-3.8A)
SAH  A 301 (-4.2A)
SAH  A 301 ( 4.3A)
 0.58A 3gczA-2oy0A:
38.8		 3gczA-2oy0A:
48.91
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.
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
 1.05A 3gczA-2p97A:
undetectable		 3gczA-2p97A:
20.71
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 3gczA-2px5A:
41.2		 3gczA-2px5A:
54.68
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) 		11 SER A  56
GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
ASP A 131
VAL A 132
ASP A 146
ILE A 147
 SAH  A 500 (-2.5A)
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 (-3.5A)
SAH  A 500 (-3.6A)
SAH  A 500 (-3.6A)
SAH  A 500 ( 4.3A)
 0.28A 3gczA-2px5A:
41.2		 3gczA-2px5A:
54.68
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) 		10 GLY A  59
GLY A  82
GLY A  84
TRP A  88
THR A 105
LEU A 106
ASP A 132
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 (-3.6A)
SAM  A1248 (-3.4A)
SAM  A1248 (-3.7A)
SAM  A1248 ( 4.0A)
 0.31A 3gczA-2wa2A:
34.3		 3gczA-2wa2A:
51.59
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.
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
 1.03A 3gczA-2xn8A:
undetectable		 3gczA-2xn8A:
23.70
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.
2z5x AMINE OXIDASE
[FLAVIN-CONTAINING]
A

(Homo sapiens) 		PF01593
(Amino_oxidase) 		5 SER A  24
GLY A 452
GLY A  25
VAL A 247
ILE A 430
 FAD  A 600 (-4.2A)
None
None
None
None
 0.94A 3gczA-2z5xA:
undetectable		 3gczA-2z5xA:
19.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z8z LIPASE

(Pseudomonas sp.
MIS38) 		PF00353
(HemolysinCabind) 		5 GLY A 505
GLY A 520
GLY A 523
ASP A 534
ASP A 507
 None
CA  A 626 ( 4.6A)
CA  A 624 ( 3.3A)
CA  A 625 ( 2.4A)
None
 1.01A 3gczA-2z8zA:
undetectable		 3gczA-2z8zA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ze4 PHOSPHOLIPASE D

(Streptomyces
antibioticus) 		PF13091
(PLDc_2) 		5 GLY A 214
GLY A 176
VAL A 100
ASP A  84
ILE A  85
 None
 0.96A 3gczA-2ze4A:
undetectable		 3gczA-2ze4A:
19.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3am3 ENOYL-ACP REDUCTASE

(Plasmodium
falciparum) 		PF13561
(adh_short_C2) 		5 SER A 388
GLY A 114
GLY A 106
TRP A 113
VAL A 134
 None
None
NAD  A 801 (-3.5A)
None
None
 1.05A 3gczA-3am3A:
5.7		 3gczA-3am3A:
19.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dou RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J

(Thermoplasma
volcanium) 		PF01728
(FtsJ) 		6 GLY A  46
GLY A  51
TRP A  52
LEU A  68
ASP A  83
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 (-3.6A)
SAM  A   1 (-3.7A)
 0.61A 3gczA-3douA:
14.7		 3gczA-3douA:
19.37
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.
3ekm DIAMINOPIMELATE
EPIMERASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF01678
(DAP_epimerase) 		5 GLY A 249
GLY A  71
GLY A 247
LEU A  60
ASP A  70
 None
 0.99A 3gczA-3ekmA:
undetectable		 3gczA-3ekmA:
22.32
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) 		11 SER A  56
GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
LEU A 105
VAL A 132
ASP A 146
ILE A 147
 SAM  A4633 ( 2.7A)
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 (-3.4A)
SAM  A4633 (-3.7A)
SAM  A4633 ( 4.2A)
 0.20A 3gczA-3eluA:
40.6		 3gczA-3eluA:
55.12
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)
 1.26A 3gczA-3evcA:
41.8		 3gczA-3evcA:
54.42
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) 		11 SER A  56
GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
LEU A 105
ASP A 131
ASP A 146
ILE A 147
 SAH  A 901 (-2.6A)
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 (-3.7A)
SAH  A 901 (-3.8A)
SAH  A 901 ( 4.2A)
 0.21A 3gczA-3evcA:
41.8		 3gczA-3evcA:
54.42
Potential target for repurposing, i.e. matched protein structure has less than 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)
 0.91A 3gczA-3f8rA:
undetectable		 3gczA-3f8rA:
21.28
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) 		12 SER A  56
GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
LEU A 105
ASP A 131
VAL A 132
ASP A 146
ILE A 147
 SAM  A4633 (-2.7A)
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)
SAM  A4633 (-3.6A)
SAM  A4633 (-3.7A)
SAM  A4633 ( 4.2A)
 0.00A 3gczA-3gczA:
48.1		 3gczA-3gczA:
100.00
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.
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 3gczA-3hi0A:
undetectable		 3gczA-3hi0A:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hi0 PUTATIVE
EXOPOLYPHOSPHATASE

(Agrobacterium
fabrum) 		PF02541
(Ppx-GppA) 		5 GLY A  53
GLY A 171
GLY A 149
GLY A  51
LEU A 169
 None
 0.97A 3gczA-3hi0A:
undetectable		 3gczA-3hi0A:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hjr EXTRACELLULAR SERINE
PROTEASE

(Aeromonas
sobria) 		PF00082
(Peptidase_S8)
PF01483
(P_proprotein) 		5 SER A 336
GLY A 219
GLY A 217
GLY A 334
ILE A 223
 None
 0.92A 3gczA-3hjrA:
undetectable		 3gczA-3hjrA:
17.69
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)
 1.32A 3gczA-3lkzA:
40.7		 3gczA-3lkzA:
53.50
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) 		11 SER A  56
GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
ASP A 131
VAL A 132
ASP A 146
ILE A 147
 SFG  A 301 (-2.6A)
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 (-3.1A)
SFG  A 301 (-4.1A)
SFG  A 301 (-3.8A)
SFG  A 301 (-4.1A)
 0.51A 3gczA-3lkzA:
40.7		 3gczA-3lkzA:
53.50
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.
3o8l 6-PHOSPHOFRUCTOKINAS
E, MUSCLE TYPE

(Oryctolagus
cuniculus) 		PF00365
(PFK) 		5 SER A 121
GLY A 117
GLY A  85
GLY A  54
GLY A  24
 ATP  A 763 (-2.4A)
ATP  A 763 ( 4.5A)
None
None
ATP  A 763 (-3.3A)
 0.89A 3gczA-3o8lA:
undetectable		 3gczA-3o8lA:
17.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3opn PUTATIVE HEMOLYSIN

(Lactococcus
lactis) 		PF01728
(FtsJ) 		5 SER A  38
GLY A  40
GLY A  64
GLY A  69
ASP A 129
 SO4  A   1 ( 2.5A)
SO4  A   1 (-3.5A)
None
SO4  A   1 (-3.3A)
None
 0.57A 3gczA-3opnA:
13.7		 3gczA-3opnA:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT

(Komagataella
pastoris) 		PF00365
(PFK) 		5 SER A 316
GLY A 312
GLY A 280
GLY A 249
GLY A 219
 SO4  A 990 (-2.7A)
SO4  A 990 ( 4.8A)
None
None
SO4  A 990 (-3.4A)
 0.90A 3gczA-3opyA:
undetectable		 3gczA-3opyA:
13.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ow8 WD REPEAT-CONTAINING
PROTEIN 61

(Homo sapiens) 		PF00400
(WD40) 		5 GLY A 128
GLY A 170
GLY A 148
ASP A 211
ILE A 193
 None
 0.99A 3gczA-3ow8A:
undetectable		 3gczA-3ow8A:
24.11
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.
3oyt 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE I

(Yersinia pestis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 395
GLY A 306
GLY A 392
LEU A 311
ASP A 366
 None
 0.99A 3gczA-3oytA:
undetectable		 3gczA-3oytA:
21.16
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.
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 3gczA-3pbkA:
undetectable		 3gczA-3pbkA:
17.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pih UVRABC SYSTEM
PROTEIN A

(Thermotoga
maritima) 		PF00005
(ABC_tran) 		5 GLY A 909
GLY A 895
VAL A 605
ASP A 879
ILE A 891
 None
 1.00A 3gczA-3pihA:
2.2		 3gczA-3pihA:
15.04
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.
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
 0.95A 3gczA-3pmqA:
undetectable		 3gczA-3pmqA:
17.96
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.
3pvc TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC

(Yersinia pestis) 		PF01266
(DAO)
PF05430
(Methyltransf_30) 		5 SER A 634
GLY A 631
GLY A 466
GLY A 625
LEU A 463
 None
FAD  A 690 (-3.0A)
FAD  A 690 ( 3.7A)
FAD  A 690 ( 4.5A)
None
 0.97A 3gczA-3pvcA:
5.2		 3gczA-3pvcA:
18.62
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.
3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS

(Aspergillus
oryzae) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 SER A  94
GLY A  88
GLY A 268
TRP A  66
THR A 272
 FAY  A 600 (-2.9A)
None
FAY  A 600 (-3.5A)
FAY  A 600 (-4.0A)
None
 0.97A 3gczA-3q9tA:
2.3		 3gczA-3q9tA:
17.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r3r FERRIPYOCHELIN
BINDING PROTEIN

(Salmonella
enterica) 		PF00132
(Hexapep) 		5 SER A 110
GLY A 107
GLY A 144
GLY A 127
ILE A 150
 None
 0.93A 3gczA-3r3rA:
undetectable		 3gczA-3r3rA:
19.78
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.
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
 1.04A 3gczA-3t3oA:
undetectable		 3gczA-3t3oA:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ue9 ADENYLOSUCCINATE
SYNTHETASE

(Burkholderia
thailandensis) 		PF00709
(Adenylsucc_synt) 		5 GLY A  79
GLY A  81
GLY A  45
ASP A 213
VAL A 214
 None
 1.05A 3gczA-3ue9A:
undetectable		 3gczA-3ue9A:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.97A 3gczA-3ukfA:
undetectable		 3gczA-3ukfA:
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.
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)
 0.78A 3gczA-3vc1A:
8.7		 3gczA-3vc1A:
26.65
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.
3vgl GLUCOKINASE

(Streptomyces
griseus) 		PF00480
(ROK) 		5 GLY A 260
GLY A 112
GLY A 302
GLY A 299
LEU A 309
 ANP  A 325 ( 4.1A)
None
None
None
None
 0.86A 3gczA-3vglA:
undetectable		 3gczA-3vglA:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vm7 ALPHA-AMYLASE

(Malbranchea
cinnamomea) 		PF00128
(Alpha-amylase)
PF09260
(DUF1966) 		5 GLY A 442
GLY A 464
GLY A 446
THR A 441
ASP A 404
 None
 0.96A 3gczA-3vm7A:
undetectable		 3gczA-3vm7A:
19.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w9h ACRIFLAVINE
RESISTANCE PROTEIN B

(Escherichia
coli) 		PF00873
(ACR_tran) 		5 GLY A 290
GLY A 288
GLY A 179
ASP A 328
ILE A 291
 None
 0.93A 3gczA-3w9hA:
undetectable		 3gczA-3w9hA:
13.97
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.
4a6u OMEGA TRANSAMINASE

(Chromobacterium
violaceum) 		PF00202
(Aminotran_3) 		5 SER A 291
GLY A 293
GLY A 120
GLY A 298
GLY A 289
 None
SCN  A 602 ( 4.8A)
None
None
None
 0.92A 3gczA-4a6uA:
undetectable		 3gczA-4a6uA:
20.70
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.
4asi ACETYL-COA
CARBOXYLASE 1

(Homo sapiens) 		PF01039
(Carboxyl_trans) 		5 SER A1837
GLY A1828
GLY A1729
GLY A1836
ILE A1829
 None
 0.99A 3gczA-4asiA:
undetectable		 3gczA-4asiA:
16.62
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.
4auk RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M

(Escherichia
coli) 		PF01728
(FtsJ) 		5 SER A 186
GLY A 219
GLY A 224
TRP A 225
ASP A 277
 None
EDO  A1373 (-3.8A)
None
None
None
 0.69A 3gczA-4aukA:
13.7		 3gczA-4aukA:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bgu MALATE DEHYDROGENASE

(Haloferax
volcanii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A 145
GLY A 174
GLY A 247
LEU A 288
ASP A 149
 None
 1.06A 3gczA-4bguA:
4.7		 3gczA-4bguA:
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.
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)
 0.98A 3gczA-4dshA:
3.2		 3gczA-4dshA:
20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eud SUCCINYL-COA:ACETATE
COENZYME A
TRANSFERASE

(Acetobacter
aceti) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		5 GLY A  73
GLY A  69
GLY A  34
GLY A  37
VAL A 117
 None
 0.94A 3gczA-4eudA:
undetectable		 3gczA-4eudA:
20.24
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.
4gc5 DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL

(Mus musculus) 		PF00398
(RrnaAD) 		5 GLY A  63
GLY A  65
GLY A  68
ASP A 111
VAL A 112
 ACT  A 402 (-3.4A)
None
None
None
None
 0.47A 3gczA-4gc5A:
8.4		 3gczA-4gc5A:
19.83
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.
4k6m POLYPROTEIN

(Japanese
encephalitis
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		10 SER A  56
GLY A  58
GLY A  81
GLY A  83
GLY A  86
THR A 104
ASP A 131
VAL A 132
ASP A 146
ILE A 147
 SAH  A1001 (-2.8A)
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 (-3.7A)
SAH  A1001 (-3.6A)
SAH  A1001 ( 4.3A)
 0.44A 3gczA-4k6mA:
40.4		 3gczA-4k6mA:
19.16
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.
4k6m POLYPROTEIN

(Japanese
encephalitis
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		8 SER A  56
GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
ASP A 146
 SAH  A1001 (-2.8A)
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)
 0.53A 3gczA-4k6mA:
40.4		 3gczA-4k6mA:
19.16
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.
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
 0.98A 3gczA-4m00A:
undetectable		 3gczA-4m00A:
22.65
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.
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
 0.99A 3gczA-4m01A:
undetectable		 3gczA-4m01A:
24.93
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.
4n49 CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1

(Homo sapiens) 		PF01728
(FtsJ) 		6 GLY A 279
GLY A 282
THR A 301
LEU A 302
ASP A 335
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)
SAM  A 601 (-3.6A)
 0.60A 3gczA-4n49A:
13.7		 3gczA-4n49A:
20.65
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.
4qi4 CELLOBIOSE
DEHYDROGENASE

(Crassicarpon
hotsonii) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C) 		5 GLY A 484
GLY A 241
GLY A 236
ASP A 737
ILE A 736
 FAD  A 901 ( 4.3A)
None
FAD  A 901 (-3.3A)
FAD  A 901 (-4.3A)
None
 0.83A 3gczA-4qi4A:
2.6		 3gczA-4qi4A:
19.65
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.
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
 1.02A 3gczA-4qi6A:
2.3		 3gczA-4qi6A:
15.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.87A 3gczA-4qi6A:
2.3		 3gczA-4qi6A:
15.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.89A 3gczA-4qi7A:
2.7		 3gczA-4qi7A:
15.72
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.
4qla JUVENILE HORMONE
EPOXIDE HYDROLASE

(Bombyx mori) 		PF06441
(EHN) 		5 GLY A 156
GLY A 226
GLY A 153
LEU A 398
VAL A 444
 None
 1.01A 3gczA-4qlaA:
undetectable		 3gczA-4qlaA:
23.18
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.
4u1r ATP-DEPENDENT
6-PHOSPHOFRUCTOKINAS
E, PLATELET TYPE

(Homo sapiens) 		PF00365
(PFK) 		5 SER A 130
GLY A 126
GLY A  94
GLY A  63
GLY A  33
 ATP  A 801 (-3.2A)
None
None
None
ATP  A 801 (-3.3A)
 1.02A 3gczA-4u1rA:
undetectable		 3gczA-4u1rA:
16.69
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.
4uzj NOTUM

(Drosophila
melanogaster) 		PF03283
(PAE) 		5 GLY A 242
GLY A 271
GLY A 239
ASP A 345
VAL A 344
 None
 1.03A 3gczA-4uzjA:
undetectable		 3gczA-4uzjA:
22.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 3gczA-4xcqA:
3.9		 3gczA-4xcqA:
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.
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
 0.91A 3gczA-4zqgA:
3.3		 3gczA-4zqgA:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a22 VESICULAR STOMATITIS
VIRUS L POLYMERASE

(Vesicular
stomatitis
virus) 		PF00946
(Mononeg_RNA_pol)
PF14314
(Methyltrans_Mon)
PF14318
(Mononeg_mRNAcap) 		5 GLY A1670
GLY A1672
GLY A1675
ASP A1735
ASP A1762
 None
 0.81A 3gczA-5a22A:
11.9		 3gczA-5a22A:
8.88
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.
5cvv (ISO)EUGENOL
O-METHYLTRANSFERASE

(Clarkia breweri) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		5 SER A 187
GLY A 211
GLY A 213
LEU A 235
ASP A 254
 SAH  A 401 (-2.5A)
SAH  A 401 (-3.8A)
SAH  A 401 ( 3.7A)
SAH  A 401 (-4.3A)
SAH  A 401 (-3.5A)
 1.03A 3gczA-5cvvA:
8.1		 3gczA-5cvvA:
17.82
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) 		11 SER A  56
GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
ASP A 131
VAL A 132
ASP A 146
ILE A 147
 SAM  A 301 (-2.7A)
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 (-3.4A)
SAM  A 301 (-3.6A)
SAM  A 301 (-3.8A)
SAM  A 301 ( 4.2A)
 0.40A 3gczA-5e9qA:
41.0		 3gczA-5e9qA:
50.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ff5 PAAA

(Pantoea
agglomerans) 		PF00899
(ThiF) 		5 GLY A 144
GLY A 141
THR A 145
LEU A 177
ILE A 137
 None
SO4  A 401 ( 3.7A)
None
None
None
 0.95A 3gczA-5ff5A:
3.6		 3gczA-5ff5A:
20.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ikm NS5 METHYL
TRANSFERASE

(Dengue virus) 		PF01728
(FtsJ) 		5 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 3gczA-5ikmA:
40.2		 3gczA-5ikmA:
54.48
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) 		11 SER A  56
GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
ASP A 131
VAL A 132
ASP A 146
ILE A 147
 SAM  A 311 ( 2.7A)
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)
MLT  A 313 ( 2.6A)
SAM  A 311 (-3.7A)
SAM  A 311 (-3.8A)
SAM  A 311 ( 4.3A)
 0.37A 3gczA-5ikmA:
40.2		 3gczA-5ikmA:
54.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jjr GENOME POLYPROTEIN

(Dengue virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		11 SER A  56
GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
ASP A 131
VAL A 132
ASP A 146
ILE A 147
 SAH  A1003 (-2.7A)
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 (-3.0A)
SAH  A1003 (-3.7A)
SAH  A1003 (-3.8A)
SAH  A1003 ( 4.3A)
 0.45A 3gczA-5jjrA:
40.4		 3gczA-5jjrA:
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.
5kpg PAVINE
N-METHYLTRANSFERASE

(Thalictrum
flavum) 		PF02353
(CMAS) 		5 GLY A 135
GLY A 137
THR A 158
ASP A 185
VAL A 186
 SAH  A 401 (-3.7A)
SAH  A 401 ( 3.8A)
None
SAH  A 401 (-3.5A)
SAH  A 401 (-3.8A)
 0.55A 3gczA-5kpgA:
8.2		 3gczA-5kpgA:
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.
5nju GENOME POLYPROTEIN

(Zika virus) 		no annotation 11 SER A  56
GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
ASP A 131
VAL A 132
ASP A 146
ILE A 147
 SAH  A1001 (-2.6A)
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 (-3.9A)
SAH  A1001 (-3.6A)
SAH  A1001 (-3.7A)
SAH  A1001 (-4.2A)
 0.31A 3gczA-5njuA:
40.7		 3gczA-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 SER A 508
GLY A 519
GLY A 471
GLY A 516
GLY A 624
 None
 1.02A 3gczA-5svcA:
undetectable		 3gczA-5svcA:
16.93
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.
5tmh POLYPROTEIN

(Zika virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		11 SER A  56
GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
ASP A 131
VAL A 132
ASP A 146
ILE A 147
 SAH  A1001 (-2.5A)
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 (-4.0A)
SAH  A1001 (-3.8A)
SAH  A1001 ( 4.8A)
 0.40A 3gczA-5tmhA:
39.9		 3gczA-5tmhA:
19.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.97A 3gczA-5uh0A:
undetectable		 3gczA-5uh0A:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f45 -

(-) 		no annotation 5 GLY D 208
GLY D 167
GLY D 186
GLY D 170
LEU D 184
 None
 1.01A 3gczA-6f45D:
undetectable		 3gczA-6f45D:
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.
6f8z ALPHA-1,2-MANNOSIDAS
E, PUTATIVE

(Bacteroides
thetaiotaomicron) 		no annotation 5 GLY A 593
GLY A  92
GLY A 634
LEU A  88
ASP A  95
 CA  A 801 (-4.8A)
None
None
None
None
 1.02A 3gczA-6f8zA:
undetectable		 3gczA-6f8zA:
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.
6h20 -

(-) 		no annotation 5 SER A 102
GLY A 101
GLY A  97
ASP A 157
VAL A 156
 None
 1.02A 3gczA-6h20A:
undetectable		 3gczA-6h20A:
undetectable