SIMILAR PATTERNS OF AMINO ACIDS FOR 5KQS_A_SAMA307

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.
1e08 [FE]-HYDROGENASE
(LARGE SUBUNIT)

(Desulfovibrio
desulfuricans) 		PF02906
(Fe_hyd_lg_C)
PF13187
(Fer4_9) 		6 GLY A 297
GLY A  70
GLY A 386
GLY A 381
VAL A  28
ILE A 235
 PDT  A   4 (-3.3A)
SF4  A   2 (-3.8A)
SF4  A   3 ( 4.3A)
SF4  A   3 ( 3.9A)
SF4  A   2 (-4.7A)
None
 1.15A 5kqsA-1e08A:
undetectable		 5kqsA-1e08A:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1eiz FTSJ

(Escherichia
coli) 		PF01728
(FtsJ) 		5 GLY A  59
GLY A  64
TRP A  65
ASP A  99
ASP A 124
 SAM  A 301 (-3.6A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.6A)
SAM  A 301 (-3.5A)
SAM  A 301 (-3.6A)
 0.29A 5kqsA-1eizA:
14.9		 5kqsA-1eizA:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1elt ELASTASE

(Salmo salar) 		PF00089
(Trypsin) 		6 GLY A 142
GLY A  44
GLY A 197
GLY A 193
VAL A  52
ILE A  31
 None
 1.32A 5kqsA-1eltA:
undetectable		 5kqsA-1eltA:
21.20
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.
1ffv CUTS, IRON-SULFUR
PROTEIN OF CARBON
MONOXIDE
DEHYDROGENASE
CUTL, MOLYBDOPROTEIN
OF CARBON MONOXIDE
DEHYDROGENASE

(Hydrogenophaga
pseudoflava;
Hydrogenophaga
pseudoflava) 		PF00111
(Fer2)
PF01799
(Fer2_2)
PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 GLY A  98
GLY B 695
GLY A 140
THR B 698
ILE B 693
 None
ARO  B 384 ( 3.9A)
None
None
None
 0.88A 5kqsA-1ffvA:
undetectable		 5kqsA-1ffvA:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1k4y LIVER
CARBOXYLESTERASE

(Oryctolagus
cuniculus) 		PF00135
(COesterase) 		5 GLY A 248
GLY A 143
GLY A 141
GLY A 224
ASP A  90
 None
 0.83A 5kqsA-1k4yA:
undetectable		 5kqsA-1k4yA:
19.07
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.
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
 0.73A 5kqsA-1l2qA:
undetectable		 5kqsA-1l2qA:
21.91
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.
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
 0.92A 5kqsA-1mzaA:
undetectable		 5kqsA-1mzaA:
19.86
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 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
HIS A 110
ASP A 131
VAL A 132
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)
SO4  A 901 ( 3.9A)
SAH  A 887 ( 3.3A)
SAH  A 887 (-3.5A)
SAH  A 887 (-3.9A)
SAH  A 887 ( 4.2A)
 0.28A 5kqsA-1r6aA:
40.2		 5kqsA-1r6aA:
60.07
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.
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
 0.91A 5kqsA-1v6mA:
undetectable		 5kqsA-1v6mA:
18.93
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.
1vcw PROTEASE DEGS

(Escherichia
coli) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 GLY A 214
GLY A  82
GLY A 202
VAL A 106
ILE A  91
 None
 0.81A 5kqsA-1vcwA:
undetectable		 5kqsA-1vcwA:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ap1 PUTATIVE REGULATOR
PROTEIN

(Salmonella
enterica) 		PF00480
(ROK) 		5 GLY A 291
GLY A   4
GLY A 295
ASP A   6
ILE A  12
 None
 0.92A 5kqsA-2ap1A:
undetectable		 5kqsA-2ap1A:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.66A 5kqsA-2b25A:
8.4		 5kqsA-2b25A:
22.88
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.
2et6 (3R)-HYDROXYACYL-COA
DEHYDROGENASE

(Candida
tropicalis) 		PF00106
(adh_short) 		5 GLY A 333
GLY A 404
GLY A 329
GLY A 335
ILE A 405
 None
 0.89A 5kqsA-2et6A:
2.3		 5kqsA-2et6A:
18.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nyu PUTATIVE RIBOSOMAL
RNA
METHYLTRANSFERASE 2

(Homo sapiens) 		PF01728
(FtsJ) 		5 GLY A  30
TRP A  36
ASP A  79
VAL A  80
ASP A 104
 SAM  A 201 (-3.5A)
SAM  A 201 (-3.9A)
SAM  A 201 (-3.3A)
SAM  A 201 (-3.9A)
SAM  A 201 (-3.7A)
 0.47A 5kqsA-2nyuA:
14.1		 5kqsA-2nyuA:
23.92
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.
2okj GLUTAMATE
DECARBOXYLASE 1

(Homo sapiens) 		PF00282
(Pyridoxal_deC) 		5 GLY A 351
GLY A 379
GLY A 346
TRP A 376
ILE A 480
 None
 0.90A 5kqsA-2okjA:
undetectable		 5kqsA-2okjA:
19.33
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) 		9 GLY A  59
GLY A  82
GLY A  84
GLY A  87
TRP A  88
THR A 105
HIS A 111
ASP A 132
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 (-3.6A)
SAM  A 300 (-3.9A)
SAM  A 300 (-3.9A)
 0.40A 5kqsA-2oxtA:
38.6		 5kqsA-2oxtA:
51.31
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)
 1.33A 5kqsA-2oxtA:
38.6		 5kqsA-2oxtA:
51.31
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
ASP A 131
VAL A 132
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 (-3.2A)
SAH  A 301 (-3.8A)
SAH  A 301 (-4.2A)
SAH  A 301 ( 4.3A)
 0.48A 5kqsA-2oy0A:
40.7		 5kqsA-2oy0A:
68.27
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
HIS A 110
VAL A 132
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 (-4.4A)
SAH  A 301 (-3.8A)
SAH  A 301 (-4.2A)
SAH  A 301 ( 4.3A)
 0.48A 5kqsA-2oy0A:
40.7		 5kqsA-2oy0A:
68.27
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 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
HIS A 110
ASP A 131
VAL A 132
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 (-3.9A)
SAH  A 500 (-3.5A)
SAH  A 500 (-3.6A)
SAH  A 500 (-3.6A)
SAH  A 500 ( 4.3A)
 0.40A 5kqsA-2px5A:
42.8		 5kqsA-2px5A:
68.50
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) 		6 GLY A  81
GLY A  58
GLY A  86
GLY A  83
THR A  59
ASP A 146
 SAH  A 500 (-3.4A)
SAH  A 500 (-3.3A)
SAH  A 500 (-3.2A)
SAH  A 500 ( 3.7A)
None
SAH  A 500 (-3.6A)
 1.32A 5kqsA-2px5A:
42.8		 5kqsA-2px5A:
68.50
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.
2r3u PROTEASE DEGS

(Escherichia
coli) 		PF13365
(Trypsin_2) 		5 GLY A 214
GLY A  82
GLY A 202
VAL A 106
ILE A  91
 None
 0.79A 5kqsA-2r3uA:
undetectable		 5kqsA-2r3uA:
22.02
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
HIS A 111
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 (-3.8A)
SAM  A1248 (-3.6A)
SAM  A1248 (-3.4A)
SAM  A1248 (-3.7A)
SAM  A1248 ( 4.0A)
 0.42A 5kqsA-2wa2A:
32.9		 5kqsA-2wa2A:
50.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xn8 PUTATIVE CYTOCHROME
P450 125

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		5 GLY A  56
GLY A  60
GLY A  62
GLY A  69
ASP A  58
 None
 0.75A 5kqsA-2xn8A:
undetectable		 5kqsA-2xn8A:
20.56
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.
2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF06460
(NSP13) 		5 GLY A  71
GLY A  73
GLY A  81
ASP A 114
ASP A 130
 SAH  A1293 (-3.8A)
SAH  A1293 (-4.1A)
SAH  A1293 (-3.6A)
SAH  A1293 (-3.7A)
SAH  A1293 (-3.7A)
 0.88A 5kqsA-2xyqA:
10.5		 5kqsA-2xyqA:
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.
3dou RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J

(Thermoplasma
volcanium) 		PF01728
(FtsJ) 		5 GLY A  46
GLY A  51
TRP A  52
ASP A  83
ASP A 111
 SAM  A   1 (-3.5A)
SAM  A   1 (-3.2A)
SAM  A   1 (-4.0A)
SAM  A   1 (-3.6A)
SAM  A   1 (-3.7A)
 0.37A 5kqsA-3douA:
14.0		 5kqsA-3douA:
19.78
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) 		10 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
HIS A 110
VAL A 132
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 (-3.6A)
SAM  A4633 (-3.4A)
SAM  A4633 (-3.7A)
SAM  A4633 ( 4.2A)
 0.48A 5kqsA-3eluA:
39.4		 5kqsA-3eluA:
55.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3evc RNA-DIRECTED RNA
POLYMERASE NS5

(Yellow fever
virus) 		PF01728
(FtsJ) 		10 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
HIS A 110
ASP A 131
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 (-3.8A)
SAH  A 901 (-3.7A)
SAH  A 901 (-3.8A)
SAH  A 901 ( 4.2A)
 0.34A 5kqsA-3evcA:
41.9		 5kqsA-3evcA:
54.85
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)
 1.29A 5kqsA-3evcA:
41.9		 5kqsA-3evcA:
54.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.92A 5kqsA-3f8rA:
undetectable		 5kqsA-3f8rA:
22.42
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.
3g01 GRANZYME C

(Mus musculus) 		PF00089
(Trypsin) 		5 GLY A 149
GLY A  52
GLY A 206
GLY A 202
VAL A  60
 None
 0.86A 5kqsA-3g01A:
undetectable		 5kqsA-3g01A:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g0i EPOXIDE HYDROLASE

(Aspergillus
niger) 		PF06441
(EHN) 		5 GLY A  52
GLY A 278
GLY A  55
VAL A 298
ILE A 294
 None
 0.90A 5kqsA-3g0iA:
undetectable		 5kqsA-3g0iA:
23.08
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) 		11 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
HIS A 110
ASP A 131
VAL A 132
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 (-3.5A)
SAM  A4633 (-3.7A)
SAM  A4633 (-3.6A)
SAM  A4633 (-3.7A)
SAM  A4633 ( 4.2A)
 0.41A 5kqsA-3gczA:
40.7		 5kqsA-3gczA:
54.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h41 NLP/P60 FAMILY
PROTEIN

(Bacillus cereus) 		PF00877
(NLPC_P60) 		5 GLY A 235
GLY A 218
GLY A 233
THR A 217
ILE A 302
 None
 0.90A 5kqsA-3h41A:
undetectable		 5kqsA-3h41A:
21.66
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.
3k9b LIVER
CARBOXYLESTERASE 1

(Homo sapiens) 		PF00135
(COesterase) 		5 GLY A1248
GLY A1143
GLY A1141
GLY A1224
ASP A1090
 None
WW2  A 193 (-3.4A)
WW2  A 193 (-3.8A)
None
None
 0.89A 5kqsA-3k9bA:
undetectable		 5kqsA-3k9bA:
20.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lgi PROTEASE DEGS

(Escherichia
coli) 		PF13365
(Trypsin_2) 		5 GLY A 214
GLY A  82
GLY A 202
VAL A 106
ILE A  91
 None
 0.75A 5kqsA-3lgiA:
undetectable		 5kqsA-3lgiA:
23.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lkz NON-STRUCTURAL
PROTEIN 5

(West Nile virus) 		PF01728
(FtsJ) 		10 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 (-2.9A)
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)
 0.46A 5kqsA-3lkzA:
41.8		 5kqsA-3lkzA:
65.74
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) 		10 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
HIS A 110
VAL A 132
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 (-3.9A)
SFG  A 301 (-4.1A)
SFG  A 301 (-3.8A)
SFG  A 301 (-4.1A)
 0.41A 5kqsA-3lkzA:
41.8		 5kqsA-3lkzA:
65.74
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)
 1.36A 5kqsA-3lkzA:
41.8		 5kqsA-3lkzA:
65.74
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.
3mgw LYSOZYME G

(Salmo salar) 		PF01464
(SLT) 		5 GLY A  60
GLY A 116
GLY A  56
VAL A  96
ILE A 119
 None
 0.93A 5kqsA-3mgwA:
undetectable		 5kqsA-3mgwA:
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.
3nlc UNCHARACTERIZED
PROTEIN VP0956

(Vibrio
parahaemolyticus) 		no annotation 5 GLY A 264
GLY A 162
GLY A 160
THR A 163
ILE A 514
 FAD  A 601 (-3.2A)
FAD  A 601 (-3.1A)
FAD  A 601 (-3.4A)
None
FAD  A 601 (-3.9A)
 0.85A 5kqsA-3nlcA:
undetectable		 5kqsA-3nlcA:
18.59
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.
3pv2 DEGQ

(Legionella
fallonii) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 GLY A 206
GLY A  69
GLY A 194
VAL A  94
ILE A  79
 None
 0.84A 5kqsA-3pv2A:
undetectable		 5kqsA-3pv2A:
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.
3pv4 DEGQ

(Legionella
fallonii) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 GLY A 206
GLY A  69
GLY A 194
VAL A  94
ILE A  79
 None
 0.84A 5kqsA-3pv4A:
undetectable		 5kqsA-3pv4A:
23.50
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.
3pvc TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC

(Yersinia pestis) 		PF01266
(DAO)
PF05430
(Methyltransf_30) 		5 GLY A  66
GLY A  70
ASP A 156
VAL A 157
ASP A 178
 None
 0.88A 5kqsA-3pvcA:
5.2		 5kqsA-3pvcA:
17.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r1i SHORT-CHAIN TYPE
DEHYDROGENASE/REDUCT
ASE

(Mycobacterium
marinum) 		PF13561
(adh_short_C2) 		6 GLY A  22
GLY A  97
GLY A  18
GLY A  24
ASP A 117
ILE A  98
 None
 1.33A 5kqsA-3r1iA:
5.5		 5kqsA-3r1iA:
24.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r24 2'-O-METHYL
TRANSFERASE

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF06460
(NSP13) 		5 GLY A  71
GLY A  73
GLY A  81
ASP A 114
ASP A 130
 SAM  A 302 (-3.7A)
SAM  A 302 (-4.1A)
SAM  A 302 (-3.4A)
SAM  A 302 (-3.4A)
SAM  A 302 (-3.6A)
 0.89A 5kqsA-3r24A:
9.6		 5kqsA-3r24A:
20.73
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.
3ugk SACCHAROPINE
DEHYDROGENASE [NAD+,
L-LYSINE-FORMING]

(Saccharomyces
cerevisiae) 		PF05222
(AlaDh_PNT_N) 		5 GLY A 140
GLY A 200
GLY A 203
GLY A 208
ILE A 250
 None
 0.90A 5kqsA-3ugkA:
2.1		 5kqsA-3ugkA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ut2 CATALASE-PEROXIDASE
2

(Magnaporthe
oryzae) 		PF00141
(peroxidase) 		6 GLY A 156
THR A 201
ASP A 112
VAL A 109
ASP A 196
ILE A 192
 None
 1.42A 5kqsA-3ut2A:
undetectable		 5kqsA-3ut2A:
17.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vml 3-ISOPROPYLMALATE
DEHYDROGENASE

(Shewanella
benthica;
Shewanella
oneidensis) 		PF00180
(Iso_dh) 		5 GLY A  14
GLY A  45
GLY A  75
GLY A  12
ASP A  86
 None
 0.87A 5kqsA-3vmlA:
undetectable		 5kqsA-3vmlA:
23.83
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.
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
 0.84A 5kqsA-3w9hA:
undetectable		 5kqsA-3w9hA:
12.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zk4 DIPHOSPHONUCLEOTIDE
PHOSPHATASE 1

(Lupinus luteus) 		PF00149
(Metallophos)
PF14008
(Metallophos_C)
PF16656
(Pur_ac_phosph_N) 		6 GLY A 274
GLY A 476
GLY A 271
GLY A 516
VAL A 437
ASP A 313
 None
None
None
None
None
MN  A 801 (-2.6A)
 1.45A 5kqsA-3zk4A:
undetectable		 5kqsA-3zk4A:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zlb PHOSPHOGLYCERATE
KINASE

(Streptococcus
pneumoniae) 		PF00162
(PGK) 		6 GLY A 296
GLY A 334
GLY A 324
THR A 335
ASP A 340
ILE A 304
 ANP  A1401 (-4.2A)
None
ANP  A1401 (-3.3A)
None
None
None
 1.49A 5kqsA-3zlbA:
undetectable		 5kqsA-3zlbA:
22.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a9w MONOOXYGENASE

(Stenotrophomonas
maltophilia) 		PF13738
(Pyr_redox_3) 		5 GLY A  11
GLY A 321
GLY A 129
GLY A  10
ASP A 324
 FAD  A1353 ( 4.7A)
FAD  A1353 ( 4.5A)
FAD  A1353 (-3.6A)
FAD  A1353 (-3.0A)
SO4  A1359 (-3.6A)
 0.87A 5kqsA-4a9wA:
undetectable		 5kqsA-4a9wA:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cjx C-1-TETRAHYDROFOLATE
SYNTHASE,
CYTOPLASMIC,
PUTATIVE

(Trypanosoma
brucei) 		PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C) 		5 GLY A 172
GLY A 237
GLY A 217
GLY A 170
VAL A 271
 NAP  A1301 (-3.3A)
NAP  A1301 (-3.3A)
NAP  A1301 (-2.8A)
NAP  A1301 (-3.3A)
None
 0.82A 5kqsA-4cjxA:
4.2		 5kqsA-4cjxA:
22.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4db3 N-ACETYL-D-GLUCOSAMI
NE KINASE

(Vibrio
vulnificus) 		PF00480
(ROK) 		5 GLY A 291
GLY A   4
GLY A 295
ASP A   6
ILE A  12
 None
 0.91A 5kqsA-4db3A:
undetectable		 5kqsA-4db3A:
21.07
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.
4e7n SNAKE-VENOM
THROMBIN-LIKE ENZYME

(Gloydius halys) 		PF00089
(Trypsin) 		6 GLY A 142
GLY A  44
GLY A 196
GLY A 193
THR A  54
VAL A  52
 None
 1.28A 5kqsA-4e7nA:
undetectable		 5kqsA-4e7nA:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.56A 5kqsA-4gc5A:
8.1		 5kqsA-4gc5A:
21.78
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.
4hzu ENERGY-COUPLING
FACTOR TRANSPORTER
ATP-BINDING PROTEIN
ECFA 2

(Lactobacillus
brevis) 		PF00005
(ABC_tran) 		6 GLY A 216
THR A  24
ASP A   9
VAL A  26
ASP A 214
ILE A 213
 None
 1.45A 5kqsA-4hzuA:
undetectable		 5kqsA-4hzuA:
21.70
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.
4ibo GLUCONATE
DEHYDROGENASE

(Agrobacterium
fabrum) 		PF13561
(adh_short_C2) 		5 GLY A  22
GLY A  97
GLY A  24
ASP A 117
ILE A  98
 None
 0.92A 5kqsA-4iboA:
2.2		 5kqsA-4iboA:
25.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4igl YENB

(Yersinia
entomophaga) 		PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN) 		5 GLY A 626
GLY A 628
VAL A 587
ASP A 631
ILE A 632
 None
None
None
K  A1503 (-2.5A)
None
 0.90A 5kqsA-4iglA:
undetectable		 5kqsA-4iglA:
10.48
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.
4ikh GLUTATHIONE
S-TRANSFERASE

(Pseudomonas
protegens) 		PF00043
(GST_C)
PF02798
(GST_N) 		5 GLY A 134
GLY A 131
ASP A 165
VAL A 211
ILE A 205
 None
GSH  A 303 (-3.3A)
None
None
None
 0.89A 5kqsA-4ikhA:
undetectable		 5kqsA-4ikhA:
23.65
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.
4jcn GLUTAMYL
ENDOPEPTIDASE

(Staphylococcus
epidermidis) 		PF13365
(Trypsin_2) 		5 GLY A 248
GLY A 104
GLY A 236
VAL A 131
ILE A 112
 None
 0.91A 5kqsA-4jcnA:
undetectable		 5kqsA-4jcnA:
21.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4k6m POLYPROTEIN

(Japanese
encephalitis
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		11 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
HIS A 110
ASP A 131
VAL A 132
ASP A 146
ILE A 147
 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)
SAH  A1001 (-3.7A)
SAH  A1001 (-3.7A)
SAH  A1001 (-3.6A)
SAH  A1001 ( 4.3A)
 0.48A 5kqsA-4k6mA:
41.8		 5kqsA-4k6mA:
69.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kru AUTOLYTIC LYSOZYME

(Clostridium
phage phiSM101) 		PF01183
(Glyco_hydro_25) 		6 GLY A  11
GLY A 175
TRP A 155
ASP A  29
ASP A  13
ILE A  12
 None
None
None
None
NDG  A 501 (-3.6A)
None
 1.47A 5kqsA-4kruA:
undetectable		 5kqsA-4kruA:
22.15
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.
4kv7 PROBABLE
LEUCINE/ISOLEUCINE/V
ALINE-BINDING
PROTEIN

(Rhodopirellula
baltica) 		PF13458
(Peripla_BP_6) 		6 GLY A 209
GLY A 202
THR A 175
ASP A 180
VAL A 179
ILE A 213
 None
 1.44A 5kqsA-4kv7A:
2.6		 5kqsA-4kv7A:
23.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lrs ACETALDEHYDE
DEHYDROGENASE

(Thermomonospora
curvata) 		PF01118
(Semialdhyde_dh)
PF09290
(AcetDehyd-dimer) 		6 GLY B 181
GLY B  35
GLY B  32
GLY B 179
THR B  36
ILE B  28
 PEG  B 409 ( 3.5A)
None
NAD  B 401 (-3.2A)
NAD  B 401 (-3.5A)
None
None
 1.26A 5kqsA-4lrsB:
undetectable		 5kqsA-4lrsB:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n49 CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1

(Homo sapiens) 		PF01728
(FtsJ) 		5 GLY A 279
GLY A 282
THR A 301
ASP A 335
ASP A 364
 SAM  A 601 (-3.5A)
SAM  A 601 (-3.1A)
SAM  A 601 (-4.1A)
SAM  A 601 (-3.6A)
SAM  A 601 (-3.6A)
 0.56A 5kqsA-4n49A:
15.8		 5kqsA-4n49A:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q0m L-ASPARAGINASE

(Pyrococcus
furiosus) 		PF00710
(Asparaginase) 		5 GLY A 288
GLY A 231
GLY A 235
GLY A 267
ILE A 229
 None
 0.92A 5kqsA-4q0mA:
undetectable		 5kqsA-4q0mA:
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.
4ra6 L-ASPARAGINASE

(Pyrococcus
furiosus) 		no annotation 5 GLY B 288
GLY B 231
GLY B 235
GLY B 267
ILE B 229
 None
 0.88A 5kqsA-4ra6B:
undetectable		 5kqsA-4ra6B:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rhe 3-OCTAPRENYL-4-HYDRO
XYBENZOATE
CARBOXY-LYASE

(Colwellia
psychrerythraea) 		PF02441
(Flavoprotein) 		5 GLY A  44
GLY A  18
GLY A  15
ASP A 182
VAL A 185
 None
None
FMN  A 301 (-3.5A)
None
None
 0.93A 5kqsA-4rheA:
3.7		 5kqsA-4rheA:
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.
4ru5 TAILSPIKE GP27

(Pseudomonas
phage phi297) 		no annotation 6 GLY A 491
GLY A 519
GLY A 470
THR A 520
VAL A 522
ILE A 548
 None
 1.27A 5kqsA-4ru5A:
undetectable		 5kqsA-4ru5A:
19.00
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.
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
 0.92A 5kqsA-4xcqA:
2.8		 5kqsA-4xcqA:
22.69
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.
4ynn PROTEASE DO

(Legionella
pneumophila) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 GLY A 203
GLY A  66
GLY A 191
VAL A  91
ILE A  76
 None
 0.75A 5kqsA-4ynnA:
undetectable		 5kqsA-4ynnA:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yo1 DEGQ

(Legionella
pneumophila) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 GLY A 203
GLY A  66
GLY A 191
VAL A  91
ILE A  76
 None
 0.81A 5kqsA-4yo1A:
undetectable		 5kqsA-4yo1A:
23.82
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.
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
 0.74A 5kqsA-5a22A:
12.3		 5kqsA-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.
5brr TISSUE-TYPE
PLASMINOGEN
ACTIVATOR

(Homo sapiens) 		PF00089
(Trypsin) 		5 GLY E 211
GLY E  44
GLY E 196
VAL E  66
ILE E  52
 None
 0.89A 5kqsA-5brrE:
undetectable		 5kqsA-5brrE:
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.
5ccx TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRMT61A

(Homo sapiens) 		PF08704
(GCD14) 		6 GLY A 111
GLY A 113
ASP A 163
VAL A 164
ASP A 181
ILE A 182
 SAH  A 301 (-3.2A)
SAH  A 301 (-2.9A)
SAH  A 301 (-2.7A)
SAH  A 301 (-4.0A)
SAH  A 301 (-2.4A)
SAH  A 301 ( 3.8A)
 0.85A 5kqsA-5ccxA:
8.9		 5kqsA-5ccxA:
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.
5ccx TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRMT61A

(Homo sapiens) 		PF08704
(GCD14) 		6 GLY A 111
GLY A 115
ASP A 163
VAL A 164
ASP A 181
ILE A 182
 SAH  A 301 (-3.2A)
SAH  A 301 (-3.9A)
SAH  A 301 (-2.7A)
SAH  A 301 (-4.0A)
SAH  A 301 (-2.4A)
SAH  A 301 ( 3.8A)
 0.95A 5kqsA-5ccxA:
8.9		 5kqsA-5ccxA:
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.
5e7q ACYL-COA SYNTHETASE

(Streptomyces
platensis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 GLY A 308
GLY A 318
GLY A 312
GLY A 310
ILE A 216
 SO4  A 709 ( 3.9A)
None
None
None
None
 0.91A 5kqsA-5e7qA:
undetectable		 5kqsA-5e7qA:
18.32
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 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
HIS A 110
ASP A 131
VAL A 132
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 ( 3.7A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.6A)
SAM  A 301 (-3.8A)
SAM  A 301 ( 4.2A)
 0.46A 5kqsA-5e9qA:
40.7		 5kqsA-5e9qA:
64.86
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.
5en4 17-BETA-HYDROXYSTERO
ID DEHYDROGENASE 14

(Homo sapiens) 		PF13561
(adh_short_C2) 		5 GLY A  16
GLY A  18
GLY A  24
ASP A  62
VAL A  63
 NAD  A 301 (-3.2A)
NAD  A 301 ( 4.2A)
None
NAD  A 301 (-3.4A)
NAD  A 301 (-3.7A)
 0.93A 5kqsA-5en4A:
5.7		 5kqsA-5en4A:
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.
5fv4 CARBOXYLIC ESTER
HYDROLASE

(Sus scrofa) 		PF00135
(COesterase) 		5 GLY A 231
GLY A 126
GLY A 124
GLY A 207
ASP A  73
 None
 0.91A 5kqsA-5fv4A:
undetectable		 5kqsA-5fv4A:
19.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gnd PUTATIVE SERINE
PROTEASE HHOA

(Synechocystis
sp. PCC 6803) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 GLY A 250
GLY A 114
GLY A 238
VAL A 138
ILE A 123
 None
 0.87A 5kqsA-5gndA:
undetectable		 5kqsA-5gndA:
19.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gp4 GLUTAMATE
DECARBOXYLASE

(Lactobacillus
brevis) 		no annotation 5 GLY C 288
GLY C 329
GLY C 277
TRP C 289
ILE C 328
 None
 0.86A 5kqsA-5gp4C:
undetectable		 5kqsA-5gp4C:
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.
5hxw L-AMINO ACID
DEAMINASE

(Proteus
vulgaris) 		PF01266
(DAO) 		5 GLY A  66
GLY A 257
GLY A  61
VAL A 271
ILE A 420
 None
FAD  A 501 (-3.4A)
FAD  A 501 (-3.1A)
None
None
 0.89A 5kqsA-5hxwA:
undetectable		 5kqsA-5hxwA:
21.43
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 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
HIS A 110
ASP A 131
VAL A 132
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 (-4.1A)
MLT  A 313 ( 2.6A)
SAM  A 311 (-3.7A)
SAM  A 311 (-3.8A)
SAM  A 311 ( 4.3A)
 0.31A 5kqsA-5ikmA:
41.8		 5kqsA-5ikmA:
62.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ikm NS5 METHYL
TRANSFERASE

(Dengue virus) 		PF01728
(FtsJ) 		6 GLY A  81
GLY A  58
GLY A  86
GLY A  83
THR A  59
ASP A 146
 SAM  A 311 (-3.2A)
SAM  A 311 (-3.3A)
SAM  A 311 (-3.3A)
SAM  A 311 (-3.3A)
None
SAM  A 311 (-3.8A)
 1.30A 5kqsA-5ikmA:
41.8		 5kqsA-5ikmA:
62.50
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.
5jd8 PERIPLASMIC SERINE
PEPTIDASE DEGS

(Yersinia pestis) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 GLY A 213
GLY A  82
GLY A 201
VAL A 106
ILE A  91
 None
 0.73A 5kqsA-5jd8A:
undetectable		 5kqsA-5jd8A:
19.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
ASP A 131
VAL A 132
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 (-3.0A)
SAH  A1003 (-3.7A)
SAH  A1003 (-3.8A)
SAH  A1003 ( 4.3A)
 0.29A 5kqsA-5jjrA:
40.8		 5kqsA-5jjrA:
22.77
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.
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
HIS A 110
VAL A 132
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 (-3.7A)
SAH  A1003 (-3.8A)
SAH  A1003 ( 4.3A)
 0.47A 5kqsA-5jjrA:
40.8		 5kqsA-5jjrA:
22.77
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.
5jy1 PUTATIVE SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE

(Paraburkholderia
xenovorans) 		PF13561
(adh_short_C2) 		5 GLY A  13
GLY A  15
GLY A  21
ASP A  63
VAL A  64
 NAD  A 301 (-3.4A)
NAD  A 301 ( 4.2A)
None
NAD  A 301 (-3.8A)
NAD  A 301 (-3.6A)
 0.88A 5kqsA-5jy1A:
2.4		 5kqsA-5jy1A:
21.95
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)
 0.56A 5kqsA-5kpgA:
7.4		 5kqsA-5kpgA:
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.
5nju GENOME POLYPROTEIN

(Zika virus) 		no annotation 11 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
HIS A 110
ASP A 131
VAL A 132
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 (-4.0A)
SAH  A1001 (-3.9A)
SAH  A1001 (-3.6A)
SAH  A1001 (-3.7A)
SAH  A1001 (-4.2A)
 0.27A 5kqsA-5njuA:
43.2		 5kqsA-5njuA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nju GENOME POLYPROTEIN

(Zika virus) 		no annotation 6 GLY A  58
TRP A  87
HIS A 110
VAL A 132
ASP A 146
ILE A 147
 SAH  A1001 (-3.3A)
SAH  A1001 (-3.5A)
SAH  A1001 (-4.0A)
SAH  A1001 (-3.6A)
SAH  A1001 (-3.7A)
SAH  A1001 (-4.2A)
 1.48A 5kqsA-5njuA:
43.2		 5kqsA-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 510
GLY A 431
GLY A 464
GLY A 627
ASP A 545
 None
 0.89A 5kqsA-5svcA:
undetectable		 5kqsA-5svcA:
15.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tmh POLYPROTEIN

(Zika virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		11 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
HIS A 110
ASP A 131
VAL A 132
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 (-3.6A)
SAH  A1001 (-4.0A)
SAH  A1001 (-4.0A)
SAH  A1001 (-3.8A)
SAH  A1001 ( 4.8A)
 0.44A 5kqsA-5tmhA:
42.7		 5kqsA-5tmhA:
97.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u4q DTDP-GLUCOSE
4,6-DEHYDRATASE

(Klebsiella
pneumoniae) 		PF16363
(GDP_Man_Dehyd) 		5 GLY A 183
GLY A  13
GLY A 186
VAL A   5
ILE A  16
 CL  A 402 (-4.3A)
None
CL  A 402 ( 4.4A)
None
None
 0.79A 5kqsA-5u4qA:
3.4		 5kqsA-5u4qA:
19.72
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.
5xdy HEAT SHOCK PROTEIN
HTRA

(Mycobacterium
tuberculosis) 		no annotation 5 GLY A 400
GLY A 256
GLY A 388
VAL A 286
ILE A 265
 None
 0.91A 5kqsA-5xdyA:
undetectable		 5kqsA-5xdyA:
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.
5y2d -

(-) 		no annotation 5 GLY A 234
GLY A 102
GLY A 222
VAL A 126
ILE A 111
 None
 0.90A 5kqsA-5y2dA:
undetectable		 5kqsA-5y2dA:
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.
6bqc CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE

(Escherichia
coli) 		no annotation 6 GLY A 175
GLY A 177
GLY A 180
THR A 197
ASP A 221
ILE A 174
 None
 1.35A 5kqsA-6bqcA:
8.4		 5kqsA-6bqcA:
undetectable