SIMILAR PATTERNS OF AMINO ACIDS FOR 5E9Q_A_SAMA301

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
 1.10A 5e9qA-1e08A:
undetectable		 5e9qA-1e08A:
17.85
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.
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)
 0.41A 5e9qA-1eizA:
14.7		 5e9qA-1eizA:
22.83
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.
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
 1.24A 5e9qA-1eltA:
undetectable		 5e9qA-1eltA:
19.13
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.
1itz TRANSKETOLASE

(Zea mays) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		6 GLY A 222
GLY A 189
GLY A 184
TRP A 223
ASP A  70
ILE A 192
 None
 1.47A 5e9qA-1itzA:
undetectable		 5e9qA-1itzA:
17.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 5e9qA-1l2qA:
undetectable		 5e9qA-1l2qA:
22.01
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.
1op2 VENOM SERINE
PROTEINASE

(Deinagkistrodon
acutus) 		PF00089
(Trypsin) 		6 GLY A 142
GLY A  44
GLY A 196
GLY A 193
THR A  54
VAL A  52
 None
 1.30A 5e9qA-1op2A:
undetectable		 5e9qA-1op2A:
19.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1r6a GENOME POLYPROTEIN

(Dengue virus) 		PF01728
(FtsJ) 		10 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
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)
SAH  A 887 ( 3.3A)
SAH  A 887 (-3.5A)
SAH  A 887 (-3.9A)
SAH  A 887 ( 4.2A)
 0.28A 5e9qA-1r6aA:
41.5		 5e9qA-1r6aA:
77.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1r6a GENOME POLYPROTEIN

(Dengue virus) 		PF01728
(FtsJ) 		10 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
LYS A 105
ASP A 131
VAL A 132
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 902 (-2.7A)
SAH  A 887 ( 3.3A)
SAH  A 887 (-3.5A)
SAH  A 887 ( 4.2A)
 0.66A 5e9qA-1r6aA:
41.5		 5e9qA-1r6aA:
77.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r6v SUBTILISIN-LIKE
SERINE PROTEASE

(Fervidobacterium
pennivorans) 		PF00082
(Peptidase_S8) 		6 GLY A 361
GLY A 209
GLY A 206
THR A 171
GLU A 368
VAL A 168
 None
 1.46A 5e9qA-1r6vA:
undetectable		 5e9qA-1r6vA:
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.
1rp0 THIAZOLE
BIOSYNTHETIC ENZYME

(Arabidopsis
thaliana) 		PF01946
(Thi4) 		6 GLY A  78
GLY A 240
GLY A 188
GLY A  48
ASP A 247
ILE A 225
 AHZ  A 600 (-3.6A)
AHZ  A 600 (-3.5A)
AHZ  A 600 (-3.3A)
AHZ  A 600 (-3.4A)
None
None
 1.50A 5e9qA-1rp0A:
undetectable		 5e9qA-1rp0A:
23.78
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.
1vcl HEMOLYTIC LECTIN
CEL-III

(Cucumaria
echinata) 		PF00652
(Ricin_B_lectin) 		6 GLY A 215
GLY A 220
GLY A 217
VAL A 169
ASP A 209
ILE A 221
 None
None
None
CA  A1003 (-4.7A)
CA  A1004 (-2.6A)
None
 1.35A 5e9qA-1vclA:
undetectable		 5e9qA-1vclA:
20.72
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.
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
 0.73A 5e9qA-1vcwA:
undetectable		 5e9qA-1vcwA:
20.36
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.
1y8t HYPOTHETICAL PROTEIN
RV0983

(Mycobacterium
tuberculosis) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 GLY A 182
GLY A  35
GLY A 170
VAL A  68
ILE A  44
 None
 0.88A 5e9qA-1y8tA:
undetectable		 5e9qA-1y8tA:
20.37
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.
2ap1 PUTATIVE REGULATOR
PROTEIN

(Salmonella
enterica) 		PF00480
(ROK) 		6 GLY A 291
GLY A   4
GLY A 295
VAL A  43
ASP A   6
ILE A  12
 None
 1.18A 5e9qA-2ap1A:
undetectable		 5e9qA-2ap1A:
21.25
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.
2asu HEPATOCYTE GROWTH
FACTOR-LIKE PROTEIN

(Homo sapiens) 		PF00089
(Trypsin) 		5 GLY B 677
GLY B 509
GLY B 662
VAL B 536
ILE B 517
 None
 0.88A 5e9qA-2asuB:
undetectable		 5e9qA-2asuB:
22.94
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.
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)
 0.65A 5e9qA-2b25A:
8.0		 5e9qA-2b25A:
23.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cfb GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE

(Synechococcus
elongatus) 		PF00202
(Aminotran_3) 		6 GLY A 260
GLY A 294
GLY A 255
GLY A 250
THR A 297
ILE A 295
 None
 1.40A 5e9qA-2cfbA:
undetectable		 5e9qA-2cfbA:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ehq 1-PYRROLINE-5-CARBOX
YLATE DEHYDROGENASE

(Thermus
thermophilus) 		PF00171
(Aldedh) 		6 GLY A 125
GLY A 319
GLY A 316
GLY A 361
GLU A 130
ASP A 293
 None
None
MPD  A1534 ( 4.2A)
None
None
None
 1.33A 5e9qA-2ehqA:
3.4		 5e9qA-2ehqA:
19.09
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.
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 5e9qA-2et6A:
4.6		 5e9qA-2et6A:
17.38
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.
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)
 0.41A 5e9qA-2nyuA:
14.1		 5e9qA-2nyuA:
22.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oxt NUCLEOSIDE-2'-O-METH
YLTRANSFERASE

(Meaban virus) 		PF01728
(FtsJ) 		8 GLY A  59
GLY A  82
GLY A  84
GLY A  87
TRP A  88
THR A 105
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 (-3.9A)
SAM  A 300 (-3.9A)
 0.39A 5e9qA-2oxtA:
39.4		 5e9qA-2oxtA:
50.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oxt NUCLEOSIDE-2'-O-METH
YLTRANSFERASE

(Meaban virus) 		PF01728
(FtsJ) 		7 GLY A  59
GLY A  84
GLY A  87
TRP A  88
THR A 105
GLU A 112
ASP A 147
 SAM  A 300 (-3.1A)
SAM  A 300 (-3.5A)
SAM  A 300 (-3.2A)
SAM  A 300 (-3.8A)
SAM  A 300 (-4.6A)
None
SAM  A 300 (-3.9A)
 0.71A 5e9qA-2oxtA:
39.4		 5e9qA-2oxtA:
50.19
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)
 1.34A 5e9qA-2oxtA:
39.4		 5e9qA-2oxtA:
50.19
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 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
GLU A 111
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 (-3.5A)
SAH  A 301 (-3.2A)
SAH  A 301 (-3.8A)
SAH  A 301 (-4.2A)
SAH  A 301 ( 4.3A)
 0.42A 5e9qA-2oy0A:
40.0		 5e9qA-2oy0A:
63.46
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 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
LYS A 105
GLU A 111
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)
None
SAH  A 301 (-3.5A)
SAH  A 301 (-3.8A)
SAH  A 301 (-4.2A)
SAH  A 301 ( 4.3A)
 0.58A 5e9qA-2oy0A:
40.0		 5e9qA-2oy0A:
63.46
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
GLU A 111
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 ( 3.2A)
SAH  A 500 (-3.5A)
SAH  A 500 (-3.6A)
SAH  A 500 (-3.6A)
SAH  A 500 ( 4.3A)
 0.32A 5e9qA-2px5A:
41.0		 5e9qA-2px5A:
60.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2px5 GENOME POLYPROTEIN
[CONTAINS: CAPSID
PROTEIN C (CORE
PROTEIN)
ENVELOPE PROTEIN M
(MATRIX PROTEIN)
MAJOR ENVELOPE
PROTEIN E
NON-STRUCTURAL
PROTEIN 1 (NS1)
NON-STRUCTURAL
PROTEIN 2A (NS2A)
FLAVIVIRIN PROTEASE
NS2B REGULATORY
SUBUNIT
FLAVIVIRIN PROTEASE
NS3 CATALYTIC
SUBUNIT
NON-STRUCTURAL
PROTEIN 4A (NS4A)
NON-STRUCTURAL
PROTEIN 4B (NS4B)
RNA-DIRECTED RNA
POLYMERASE (EC
2.7.7.48) (NS5)]

(Murray Valley
encephalitis
virus) 		PF01728
(FtsJ) 		7 GLY A  81
GLY A  83
GLY A  86
THR A 104
LYS A 105
ASP A 131
VAL A 132
 SAH  A 500 (-3.4A)
SAH  A 500 ( 3.7A)
SAH  A 500 (-3.2A)
SAH  A 500 ( 4.6A)
None
SAH  A 500 (-3.5A)
SAH  A 500 (-3.6A)
 0.77A 5e9qA-2px5A:
41.0		 5e9qA-2px5A:
60.45
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.
2qy6 UPF0209 PROTEIN YFCK

(Escherichia
coli) 		PF05430
(Methyltransf_30) 		5 GLY A  86
GLY A  88
LYS A 122
ASP A 176
ASP A 198
 None
 0.85A 5e9qA-2qy6A:
5.5		 5e9qA-2qy6A:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.71A 5e9qA-2r3uA:
undetectable		 5e9qA-2r3uA:
21.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2wa2 NON-STRUCTURAL
PROTEIN 5

(Modoc virus) 		PF01728
(FtsJ) 		9 GLY A  59
GLY A  82
GLY A  84
TRP A  88
THR A 105
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 (-3.6A)
SAM  A1248 (-3.4A)
SAM  A1248 (-3.7A)
SAM  A1248 ( 4.0A)
 0.46A 5e9qA-2wa2A:
33.2		 5e9qA-2wa2A:
48.54
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.
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
 0.74A 5e9qA-2xn8A:
undetectable		 5e9qA-2xn8A:
22.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z8z LIPASE

(Pseudomonas sp.
MIS38) 		PF00353
(HemolysinCabind) 		5 GLY A 505
GLY A 520
GLY A 523
ASP A 516
ASP A 507
 None
CA  A 626 ( 4.6A)
CA  A 624 ( 3.3A)
CA  A 623 ( 2.3A)
None
 0.86A 5e9qA-2z8zA:
undetectable		 5e9qA-2z8zA:
17.95
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.
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)
 0.47A 5e9qA-3douA:
13.7		 5e9qA-3douA:
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.
3du4 ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE

(Bacillus
subtilis) 		PF00202
(Aminotran_3) 		6 GLY A 258
GLY A 256
GLY A 279
LYS A 262
GLU A 252
VAL A 344
 None
 1.46A 5e9qA-3du4A:
undetectable		 5e9qA-3du4A:
20.92
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) 		9 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
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 (-3.4A)
SAM  A4633 (-3.7A)
SAM  A4633 ( 4.2A)
 0.43A 5e9qA-3eluA:
39.0		 5e9qA-3eluA:
55.98
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
GLU A 111
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 (-3.1A)
SAH  A 901 (-3.7A)
SAH  A 901 (-3.8A)
SAH  A 901 ( 4.2A)
 0.32A 5e9qA-3evcA:
40.4		 5e9qA-3evcA:
53.90
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)
 1.31A 5e9qA-3evcA:
40.4		 5e9qA-3evcA:
53.90
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.
3fq8 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE

(Synechococcus
elongatus) 		PF00202
(Aminotran_3) 		6 GLY A1282
GLY A1316
GLY A1277
GLY A1272
THR A1319
ILE A1317
 None
 1.42A 5e9qA-3fq8A:
undetectable		 5e9qA-3fq8A:
21.90
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.
3g01 GRANZYME C

(Mus musculus) 		PF00089
(Trypsin) 		5 GLY A 149
GLY A  52
GLY A 206
GLY A 202
VAL A  60
 None
 0.82A 5e9qA-3g01A:
undetectable		 5e9qA-3g01A:
20.99
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) 		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
 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 (-3.7A)
SAM  A4633 (-3.6A)
SAM  A4633 (-3.7A)
SAM  A4633 ( 4.2A)
 0.40A 5e9qA-3gczA:
41.0		 5e9qA-3gczA:
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.
3gd5 ORNITHINE
CARBAMOYLTRANSFERASE

(Gloeobacter
violaceus) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		6 GLY A  48
GLY A 106
GLY A  75
ASP A  15
ASP A 105
ILE A 126
 None
 1.24A 5e9qA-3gd5A:
3.7		 5e9qA-3gd5A:
23.44
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.
3h7t GROUP 3 ALLERGEN
SMIPP-S YVT004A06

(Sarcoptes
scabiei) 		PF00089
(Trypsin) 		6 GLY A 126
GLY A  28
GLY A 187
GLY A 184
THR A  38
VAL A  36
 None
 1.30A 5e9qA-3h7tA:
undetectable		 5e9qA-3h7tA:
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.
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
 0.68A 5e9qA-3lgiA:
undetectable		 5e9qA-3lgiA:
23.76
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 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
GLU A 111
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 (-3.7A)
SFG  A 301 (-3.1A)
SFG  A 301 (-4.1A)
SFG  A 301 (-3.8A)
SFG  A 301 (-4.1A)
 0.40A 5e9qA-3lkzA:
41.0		 5e9qA-3lkzA:
57.69
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) 		11 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
LYS A 105
GLU A 111
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)
None
SFG  A 301 (-3.7A)
SFG  A 301 (-4.1A)
SFG  A 301 (-3.8A)
SFG  A 301 (-4.1A)
 0.50A 5e9qA-3lkzA:
41.0		 5e9qA-3lkzA:
57.69
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)
 1.37A 5e9qA-3lkzA:
41.0		 5e9qA-3lkzA:
57.69
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.
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)
 0.88A 5e9qA-3nlcA:
undetectable		 5e9qA-3nlcA:
19.92
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.
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
 0.76A 5e9qA-3pv2A:
undetectable		 5e9qA-3pv2A:
20.09
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.
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
 0.78A 5e9qA-3pv4A:
undetectable		 5e9qA-3pv4A:
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.
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
 0.87A 5e9qA-3pvcA:
6.2		 5e9qA-3pvcA:
15.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s69 THROMBIN-LIKE ENZYME
DEFIBRASE

(Gloydius
saxatilis) 		PF00089
(Trypsin) 		6 GLY A 139
GLY A  43
GLY A 196
GLY A 193
THR A  53
VAL A  51
 None
 1.29A 5e9qA-3s69A:
undetectable		 5e9qA-3s69A:
20.90
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.
3s9b VIPERA RUSSELLI
PROTEINASE RVV-V
GAMMA

(Daboia
siamensis) 		PF00089
(Trypsin) 		6 GLY A 142
GLY A  44
GLY A 196
GLY A 193
THR A  54
VAL A  52
 None
 1.26A 5e9qA-3s9bA:
undetectable		 5e9qA-3s9bA:
21.48
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.
3ufa SERINE PROTEASE SPLA

(Staphylococcus
aureus) 		PF00089
(Trypsin) 		6 GLY A 167
GLY A  26
GLY A 155
THR A  25
VAL A  51
ILE A  34
 None
 1.45A 5e9qA-3ufaA:
undetectable		 5e9qA-3ufaA:
24.70
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.
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
 0.87A 5e9qA-3ugkA:
undetectable		 5e9qA-3ugkA:
22.25
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.
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
 0.86A 5e9qA-3vmlA:
undetectable		 5e9qA-3vmlA:
22.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.83A 5e9qA-3w9hA:
undetectable		 5e9qA-3w9hA:
12.85
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.
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)
 1.46A 5e9qA-3zk4A:
undetectable		 5e9qA-3zk4A:
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.
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)
 0.86A 5e9qA-4a9wA:
undetectable		 5e9qA-4a9wA:
19.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4auk RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M

(Escherichia
coli) 		PF01728
(FtsJ) 		5 GLY A 219
GLY A 224
TRP A 225
ASP A 260
ASP A 277
 EDO  A1373 (-3.8A)
None
None
None
None
 0.77A 5e9qA-4aukA:
12.5		 5e9qA-4aukA:
21.15
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.
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
 0.81A 5e9qA-4cjxA:
4.6		 5e9qA-4cjxA:
22.94
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.
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
 1.27A 5e9qA-4e7nA:
undetectable		 5e9qA-4e7nA:
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.
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
 0.61A 5e9qA-4gc5A:
8.3		 5e9qA-4gc5A:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.81A 5e9qA-4jcnA:
undetectable		 5e9qA-4jcnA:
19.92
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) 		10 GLY A  58
GLY A  81
GLY A  83
GLY A  86
THR A 104
LYS A 105
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 (-4.7A)
None
SAH  A1001 (-3.7A)
SAH  A1001 (-3.7A)
SAH  A1001 (-3.6A)
SAH  A1001 ( 4.3A)
 0.57A 5e9qA-4k6mA:
40.9		 5e9qA-4k6mA:
62.17
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) 		9 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
LYS A 105
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)
None
SAH  A1001 (-3.6A)
SAH  A1001 ( 4.3A)
 0.70A 5e9qA-4k6mA:
40.9		 5e9qA-4k6mA:
62.17
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.41A 5e9qA-4kruA:
undetectable		 5e9qA-4kruA:
21.55
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.
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
 1.22A 5e9qA-4lrsB:
undetectable		 5e9qA-4lrsB:
20.35
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.
4n0q LEU/ILE/VAL-BINDING
PROTEIN HOMOLOG 3

(Brucella
melitensis) 		PF13458
(Peripla_BP_6) 		6 GLY A 173
GLY A 247
GLY A 222
THR A 269
ASP A 355
ASP A 143
 None
 1.44A 5e9qA-4n0qA:
undetectable		 5e9qA-4n0qA:
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.
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)
 0.57A 5e9qA-4n49A:
16.0		 5e9qA-4n49A:
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.
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
 0.71A 5e9qA-4ynnA:
undetectable		 5e9qA-4ynnA:
19.04
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.
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
 0.77A 5e9qA-4yo1A:
undetectable		 5e9qA-4yo1A:
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.
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
 0.83A 5e9qA-5a22A:
12.1		 5e9qA-5a22A:
8.42
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.
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
 0.83A 5e9qA-5brrE:
undetectable		 5e9qA-5brrE:
22.63
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.
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)
 0.79A 5e9qA-5ccxA:
9.2		 5e9qA-5ccxA:
23.03
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.
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)
 0.85A 5e9qA-5ccxA:
9.2		 5e9qA-5ccxA:
23.03
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.
5dd5 ANTI-HIV ANTIBODY
DH570.9 FAB HEAVY
CHAIN
ANTI-HIV ANTIBODY
DH570.9 FAB HEAVY
CHAIN

(Macaca mulatta;
Macaca mulatta) 		PF07654
(C1-set)
PF07686
(V-set)
PF07654
(C1-set)
PF07686
(V-set) 		5 GLY H  35
GLY H 106
GLY H 104
LYS L  42
ILE H  89
 None
 0.88A 5e9qA-5dd5H:
undetectable		 5e9qA-5dd5H:
25.09
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) 		12 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
LYS A 105
GLU A 111
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)
None
SAM  A 301 ( 3.4A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.6A)
SAM  A 301 (-3.8A)
SAM  A 301 ( 4.2A)
 0.02A 5e9qA-5e9qA:
47.1		 5e9qA-5e9qA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e9q GENOME POLYPROTEIN

(Dengue virus) 		PF01728
(FtsJ) 		7 GLY A  86
TRP A  87
LYS A 105
GLU A 111
ASP A 131
ASP A 146
ILE A 147
 SAM  A 301 (-3.1A)
SAM  A 301 (-3.6A)
None
SAM  A 301 ( 3.4A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.8A)
SAM  A 301 ( 4.2A)
 1.49A 5e9qA-5e9qA:
47.1		 5e9qA-5e9qA:
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.
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
 0.82A 5e9qA-5gndA:
undetectable		 5e9qA-5gndA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gvt PLASMA KALLIKREIN

(Mus musculus) 		no annotation 6 GLY A 142
GLY A  44
GLY A 196
GLY A 193
THR A  54
VAL A  52
 None
 1.28A 5e9qA-5gvtA:
undetectable		 5e9qA-5gvtA:
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.
5hdm GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
1, CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00202
(Aminotran_3) 		6 GLY A 283
GLY A 317
GLY A 278
GLY A 273
THR A 320
ILE A 318
 None
 1.37A 5e9qA-5hdmA:
undetectable		 5e9qA-5hdmA:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.85A 5e9qA-5hxwA:
2.3		 5e9qA-5hxwA:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i39 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 (-3.2A)
None
None
 0.88A 5e9qA-5i39A:
2.8		 5e9qA-5i39A:
20.82
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) 		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
 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)
 0.24A 5e9qA-5ikmA:
42.6		 5e9qA-5ikmA:
83.20
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) 		10 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
LYS A 105
ASP A 131
VAL A 132
ASP A 146
 SAM  A 311 (-3.3A)
SAM  A 311 (-3.2A)
SAM  A 311 (-3.3A)
SAM  A 311 (-3.3A)
SAM  A 311 (-3.5A)
SAM  A 311 (-4.5A)
MLT  A 313 ( 3.0A)
MLT  A 313 ( 2.6A)
SAM  A 311 (-3.7A)
SAM  A 311 (-3.8A)
 0.61A 5e9qA-5ikmA:
42.6		 5e9qA-5ikmA:
83.20
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) 		9 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
LYS A 105
GLU A 111
ASP A 146
 SAM  A 311 (-3.3A)
SAM  A 311 (-3.2A)
SAM  A 311 (-3.3A)
SAM  A 311 (-3.3A)
SAM  A 311 (-3.5A)
SAM  A 311 (-4.5A)
MLT  A 313 ( 3.0A)
None
SAM  A 311 (-3.8A)
 0.88A 5e9qA-5ikmA:
42.6		 5e9qA-5ikmA:
83.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ikm NS5 METHYL
TRANSFERASE

(Dengue virus) 		PF01728
(FtsJ) 		6 GLY A  81
GLY A  58
GLY A  86
GLY A  83
THR A  59
ASP A 146
 SAM  A 311 (-3.2A)
SAM  A 311 (-3.3A)
SAM  A 311 (-3.3A)
SAM  A 311 (-3.3A)
None
SAM  A 311 (-3.8A)
 1.32A 5e9qA-5ikmA:
42.6		 5e9qA-5ikmA:
83.20
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.
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
 0.66A 5e9qA-5jd8A:
undetectable		 5e9qA-5jd8A:
20.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jjr GENOME POLYPROTEIN

(Dengue virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		12 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
LYS A 105
GLU A 111
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 (-4.8A)
SAH  A1003 (-3.3A)
SAH  A1003 (-3.0A)
SAH  A1003 (-3.7A)
SAH  A1003 (-3.8A)
SAH  A1003 ( 4.3A)
 0.52A 5e9qA-5jjrA:
43.5		 5e9qA-5jjrA:
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.
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)
 0.57A 5e9qA-5kpgA:
7.7		 5e9qA-5kpgA:
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.
5m41 NIGRITOXINE

(Vibrio
nigripulchritudo) 		no annotation 6 GLY A 612
GLY A 623
TRP A 628
THR A 615
VAL A 684
ILE A 610
 None
 1.49A 5e9qA-5m41A:
undetectable		 5e9qA-5m41A:
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.
5nd5 TRANSKETOLASE

(Chlamydomonas
reinhardtii) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		6 GLY A 262
GLY A 229
GLY A 224
TRP A 263
ASP A 109
ILE A 232
 None
 1.46A 5e9qA-5nd5A:
undetectable		 5e9qA-5nd5A:
16.47
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.
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
LYS A 105
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)
None
SAH  A1001 (-3.9A)
SAH  A1001 (-3.6A)
SAH  A1001 (-3.7A)
SAH  A1001 (-4.2A)
 0.64A 5e9qA-5njuA:
40.2		 5e9qA-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
 0.87A 5e9qA-5svcA:
undetectable		 5e9qA-5svcA:
15.53
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.
5tmh POLYPROTEIN

(Zika virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		10 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
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 (-4.0A)
SAH  A1001 (-4.0A)
SAH  A1001 (-3.8A)
SAH  A1001 ( 4.8A)
 0.36A 5e9qA-5tmhA:
39.9		 5e9qA-5tmhA:
21.86
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.
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
 0.78A 5e9qA-5u4qA:
6.1		 5e9qA-5u4qA:
19.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vk4 PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
CYCLO-LIGASE

(Neisseria
gonorrhoeae) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		6 GLY A  82
GLY A 127
GLU A 130
ASP A 119
VAL A 120
ASP A  84
 None
 1.46A 5e9qA-5vk4A:
undetectable		 5e9qA-5vk4A:
21.94
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.
5vk4 PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
CYCLO-LIGASE

(Neisseria
gonorrhoeae) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		6 GLY A  82
GLY A 127
LYS A 122
GLU A 130
ASP A 119
ASP A  84
 None
 1.37A 5e9qA-5vk4A:
undetectable		 5e9qA-5vk4A:
21.94
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.
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
 0.84A 5e9qA-5xdyA:
undetectable		 5e9qA-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
 0.84A 5e9qA-5y2dA:
undetectable		 5e9qA-5y2dA:
undetectable