SIMILAR PATTERNS OF AMINO ACIDS FOR 3P97_C_SAMC263

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
 1.14A 3p97C-1e08A:
undetectable		 3p97C-1e08A:
19.27
Potential target for repurposing, i.e. matched protein structure has less than 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)
 0.40A 3p97C-1eizA:
14.5		 3p97C-1eizA:
23.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ekq HYDROXYETHYLTHIAZOLE
KINASE

(Bacillus
subtilis) 		PF02110
(HK) 		6 GLY A 197
GLY A  67
GLY A 195
THR A  68
ASP A  94
ILE A  66
 None
 1.40A 3p97C-1ekqA:
2.4		 3p97C-1ekqA:
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.
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
 1.29A 3p97C-1eltA:
undetectable		 3p97C-1eltA:
19.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.89A 3p97C-1ffvA:
undetectable		 3p97C-1ffvA:
19.63
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.
1kpl PUTATIVE CLC FAMILY,
CHLORINE TRANSPORT
PROTEIN

(Salmonella
enterica) 		PF00654
(Voltage_CLC) 		5 GLY A 196
GLY A 408
GLU A 203
VAL A 222
ILE A 197
 None
 0.85A 3p97C-1kplA:
undetectable		 3p97C-1kplA:
20.20
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.
1l2q MONOMETHYLAMINE
METHYLTRANSFERASE

(Methanosarcina
barkeri) 		PF05369
(MtmB) 		5 GLY A 387
GLY A 129
GLY A 366
THR A 131
ILE A 156
 None
None
None
XPL  A 202 ( 4.5A)
None
 0.75A 3p97C-1l2qA:
undetectable		 3p97C-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.
1muu GDP-MANNOSE
6-DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		5 GLY A 147
GLY A 153
GLY A 151
GLU A 178
VAL A 125
 None
 0.86A 3p97C-1muuA:
3.1		 3p97C-1muuA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.87A 3p97C-1mzaA:
undetectable		 3p97C-1mzaA:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.29A 3p97C-1op2A:
undetectable		 3p97C-1op2A:
18.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r66 TDP-GLUCOSE-4,6-DEHY
DRATASE

(Streptomyces
venezuelae) 		PF16363
(GDP_Man_Dehyd) 		6 GLY A 244
GLY A 226
GLY A 243
GLU A 289
ASP A  27
ASP A 222
 None
 1.37A 3p97C-1r66A:
5.3		 3p97C-1r66A:
24.09
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) 		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  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)
None
SAH  A 887 ( 3.3A)
SAH  A 887 (-3.5A)
SAH  A 887 (-3.9A)
SAH  A 887 ( 4.2A)
 0.55A 3p97C-1r6aA:
41.8		 3p97C-1r6aA:
75.37
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.
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
 0.87A 3p97C-1vcwA:
undetectable		 3p97C-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.
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 3p97C-2b25A:
8.3		 3p97C-2b25A:
23.25
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.
2dup VESICULAR
INTEGRAL-MEMBRANE
PROTEIN VIP36

(Canis lupus) 		PF03388
(Lectin_leg-like) 		6 GLY A 132
GLY A 258
GLU A  98
ASP A 267
VAL A 120
ILE A 133
 None
 1.49A 3p97C-2dupA:
undetectable		 3p97C-2dupA:
21.13
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.
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)
 0.49A 3p97C-2nyuA:
14.0		 3p97C-2nyuA:
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.
2nzo PROTEIN CSAA

(Bacillus
subtilis) 		PF01588
(tRNA_bind) 		6 GLY A  15
GLY A 106
THR A  14
VAL A  64
ASP A  36
ILE A  35
 None
 1.14A 3p97C-2nzoA:
undetectable		 3p97C-2nzoA:
16.48
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.
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
 0.87A 3p97C-2okjA:
undetectable		 3p97C-2okjA:
19.53
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
GLU A 112
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)
None
SAM  A 300 (-3.9A)
SAM  A 300 (-3.9A)
 0.51A 3p97C-2oxtA:
39.7		 3p97C-2oxtA:
50.74
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)
 1.36A 3p97C-2oxtA:
39.7		 3p97C-2oxtA:
50.74
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)
 0.51A 3p97C-2oy0A:
40.3		 3p97C-2oy0A:
60.89
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) 		9 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
 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 (-3.2A)
SAH  A 301 (-3.8A)
 0.80A 3p97C-2oy0A:
40.3		 3p97C-2oy0A:
60.89
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) 		6 GLY A  58
GLY A  83
GLY A  86
THR A 104
LYS A 105
GLU A 111
 SAH  A 301 (-3.4A)
SAH  A 301 (-3.2A)
SAH  A 301 (-3.0A)
SAH  A 301 (-4.4A)
None
SAH  A 301 (-3.5A)
 1.24A 3p97C-2oy0A:
40.3		 3p97C-2oy0A:
60.89
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) 		6 GLY A  81
GLY A  58
GLY A  86
GLY A  83
THR A  59
ASP A 146
 SAH  A 301 (-3.0A)
SAH  A 301 (-3.4A)
SAH  A 301 (-3.0A)
SAH  A 301 (-3.2A)
None
SAH  A 301 (-4.2A)
 1.40A 3p97C-2oy0A:
40.3		 3p97C-2oy0A:
60.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2px5 GENOME POLYPROTEIN
[CONTAINS: CAPSID
PROTEIN C (CORE
PROTEIN)
ENVELOPE PROTEIN M
(MATRIX PROTEIN)
MAJOR ENVELOPE
PROTEIN E
NON-STRUCTURAL
PROTEIN 1 (NS1)
NON-STRUCTURAL
PROTEIN 2A (NS2A)
FLAVIVIRIN PROTEASE
NS2B REGULATORY
SUBUNIT
FLAVIVIRIN PROTEASE
NS3 CATALYTIC
SUBUNIT
NON-STRUCTURAL
PROTEIN 4A (NS4A)
NON-STRUCTURAL
PROTEIN 4B (NS4B)
RNA-DIRECTED RNA
POLYMERASE (EC
2.7.7.48) (NS5)]

(Murray Valley
encephalitis
virus) 		PF01728
(FtsJ) 		10 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
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 (-3.5A)
SAH  A 500 (-3.6A)
SAH  A 500 (-3.6A)
SAH  A 500 ( 4.3A)
 0.39A 3p97C-2px5A:
41.2		 3p97C-2px5A:
60.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2px5 GENOME POLYPROTEIN
[CONTAINS: CAPSID
PROTEIN C (CORE
PROTEIN)
ENVELOPE PROTEIN M
(MATRIX PROTEIN)
MAJOR ENVELOPE
PROTEIN E
NON-STRUCTURAL
PROTEIN 1 (NS1)
NON-STRUCTURAL
PROTEIN 2A (NS2A)
FLAVIVIRIN PROTEASE
NS2B REGULATORY
SUBUNIT
FLAVIVIRIN PROTEASE
NS3 CATALYTIC
SUBUNIT
NON-STRUCTURAL
PROTEIN 4A (NS4A)
NON-STRUCTURAL
PROTEIN 4B (NS4B)
RNA-DIRECTED RNA
POLYMERASE (EC
2.7.7.48) (NS5)]

(Murray Valley
encephalitis
virus) 		PF01728
(FtsJ) 		10 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
LYS A 105
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)
None
SAH  A 500 (-3.6A)
SAH  A 500 (-3.6A)
SAH  A 500 ( 4.3A)
 0.67A 3p97C-2px5A:
41.2		 3p97C-2px5A:
60.22
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  58
GLY A  83
GLY A  86
TRP A  87
THR A 104
GLU A 111
 SAH  A 500 (-3.3A)
SAH  A 500 ( 3.7A)
SAH  A 500 (-3.2A)
SAH  A 500 (-3.4A)
SAH  A 500 ( 4.6A)
SAH  A 500 ( 3.2A)
 0.94A 3p97C-2px5A:
41.2		 3p97C-2px5A:
60.22
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.
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
 0.85A 3p97C-2r3uA:
undetectable		 3p97C-2r3uA:
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.
2r9h H(+)/CL(-) EXCHANGE
TRANSPORTER CLCA

(Escherichia
coli) 		PF00654
(Voltage_CLC) 		5 GLY A 196
GLY A 408
GLU A 203
VAL A 222
ILE A 197
 None
 0.89A 3p97C-2r9hA:
undetectable		 3p97C-2r9hA:
20.44
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
GLU A 112
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)
None
SAM  A1248 (-3.6A)
SAM  A1248 (-3.4A)
SAM  A1248 (-3.7A)
SAM  A1248 ( 4.0A)
 0.38A 3p97C-2wa2A:
33.4		 3p97C-2wa2A:
49.27
Potential target for repurposing, i.e. matched protein structure has less than 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 3p97C-2xn8A:
undetectable		 3p97C-2xn8A:
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.
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)
 0.87A 3p97C-2xyqA:
10.5		 3p97C-2xyqA:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z8z LIPASE

(Pseudomonas sp.
MIS38) 		PF00353
(HemolysinCabind) 		5 GLY A 505
GLY A 520
GLY A 523
ASP A 534
ASP A 507
 None
CA  A 626 ( 4.6A)
CA  A 624 ( 3.3A)
CA  A 625 ( 2.4A)
None
 0.86A 3p97C-2z8zA:
undetectable		 3p97C-2z8zA:
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.
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)
 0.48A 3p97C-3douA:
13.7		 3p97C-3douA:
19.56
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
GLU A 111
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)
None
SAM  A4633 (-3.4A)
SAM  A4633 (-3.7A)
SAM  A4633 ( 4.2A)
 0.42A 3p97C-3eluA:
38.9		 3p97C-3eluA:
54.04
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) 		9 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
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 (-3.7A)
SAH  A 901 (-3.8A)
SAH  A 901 ( 4.2A)
 0.22A 3p97C-3evcA:
40.7		 3p97C-3evcA:
54.01
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)
 1.32A 3p97C-3evcA:
40.7		 3p97C-3evcA:
54.01
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.
3g01 GRANZYME C

(Mus musculus) 		PF00089
(Trypsin) 		5 GLY A 149
GLY A  52
GLY A 206
GLY A 202
VAL A  60
 None
 0.83A 3p97C-3g01A:
undetectable		 3p97C-3g01A:
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.
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 3p97C-3g0iA:
undetectable		 3p97C-3g0iA:
22.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g48 CHAPERONE CSAA

(Bacillus
anthracis) 		PF01588
(tRNA_bind) 		5 GLY A  15
GLY A 105
GLU A  39
ASP A  36
ILE A  35
 None
 0.80A 3p97C-3g48A:
undetectable		 3p97C-3g48A:
18.63
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
GLU A 111
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)
None
SAM  A4633 (-3.7A)
SAM  A4633 (-3.6A)
SAM  A4633 (-3.7A)
SAM  A4633 ( 4.2A)
 0.37A 3p97C-3gczA:
40.9		 3p97C-3gczA:
55.27
Potential target for repurposing, i.e. matched protein structure has less than 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 3p97C-3h41A:
undetectable		 3p97C-3h41A:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 3p97C-3h7tA:
undetectable		 3p97C-3h7tA:
19.23
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.
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
 0.79A 3p97C-3lgiA:
undetectable		 3p97C-3lgiA:
23.21
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)
 0.49A 3p97C-3lkzA:
40.9		 3p97C-3lkzA:
60.00
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) 		9 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
 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 (-3.1A)
SFG  A 301 (-4.1A)
 0.84A 3p97C-3lkzA:
40.9		 3p97C-3lkzA:
60.00
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) 		8 GLY A  58
GLY A  83
GLY A  86
TRP A  87
THR A 104
LYS A 105
GLU A 111
VAL A 132
 SFG  A 301 (-2.9A)
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)
 1.15A 3p97C-3lkzA:
40.9		 3p97C-3lkzA:
60.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lkz NON-STRUCTURAL
PROTEIN 5

(West Nile virus) 		PF01728
(FtsJ) 		6 GLY A  81
GLY A  58
GLY A  86
GLY A  83
THR A  59
ASP A 146
 SFG  A 301 (-3.5A)
SFG  A 301 (-2.9A)
SFG  A 301 (-3.4A)
SFG  A 301 (-3.3A)
None
SFG  A 301 (-3.8A)
 1.38A 3p97C-3lkzA:
40.9		 3p97C-3lkzA:
60.00
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.
3nlc UNCHARACTERIZED
PROTEIN VP0956

(Vibrio
parahaemolyticus) 		no annotation 6 GLY A 104
GLY A 162
GLY A 159
THR A 163
GLU A 158
ILE A 514
 FAD  A 601 (-3.1A)
FAD  A 601 (-3.1A)
None
None
None
FAD  A 601 (-3.9A)
 1.23A 3p97C-3nlcA:
undetectable		 3p97C-3nlcA:
19.82
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.
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 3p97C-3nlcA:
undetectable		 3p97C-3nlcA:
19.82
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.
3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT

(Komagataella
pastoris) 		PF00365
(PFK) 		5 GLY B 383
GLY B 433
GLY B 380
GLU B 432
ILE B 442
 None
 0.84A 3p97C-3opyB:
undetectable		 3p97C-3opyB:
14.36
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.
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
 1.34A 3p97C-3r1iA:
5.4		 3p97C-3r1iA:
23.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.87A 3p97C-3r24A:
10.5		 3p97C-3r24A:
20.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.28A 3p97C-3s69A:
undetectable		 3p97C-3s69A:
20.15
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.
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
 1.25A 3p97C-3s9bA:
undetectable		 3p97C-3s9bA:
20.71
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.
3tvi ASPARTOKINASE

(Clostridium
acetobutylicum) 		PF00696
(AA_kinase)
PF01842
(ACT) 		5 GLY A 191
GLY A 185
GLU A 116
VAL A   5
ILE A 194
 None
None
ASP  A 451 (-3.9A)
None
None
 0.88A 3p97C-3tviA:
undetectable		 3p97C-3tviA:
22.17
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.
3vyw MNMC2

(Aquifex
aeolicus) 		PF05430
(Methyltransf_30) 		5 GLY A 104
GLY A 106
LYS A 134
ASP A 174
ASP A 193
 SAM  A 501 (-3.6A)
SAM  A 501 (-3.3A)
SAM  A 501 (-4.4A)
SAM  A 501 (-3.4A)
SAM  A 501 (-3.8A)
 0.82A 3p97C-3vywA:
4.7		 3p97C-3vywA:
24.41
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.
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
 0.87A 3p97C-3w9hA:
undetectable		 3p97C-3w9hA:
13.22
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.
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)
 1.43A 3p97C-3zk4A:
undetectable		 3p97C-3zk4A:
18.45
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.
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
 1.45A 3p97C-3zlbA:
undetectable		 3p97C-3zlbA:
21.72
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.
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 3p97C-4a9wA:
undetectable		 3p97C-4a9wA:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.80A 3p97C-4cjxA:
undetectable		 3p97C-4cjxA:
23.10
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.
4dk1 PUTATIVE MACA,
MULTIDRUG RESISTANCE
PROTEIN MEXA

(Pseudomonas
aeruginosa;
Aggregatibacter
actinomycetemcomitans) 		PF16576
(HlyD_D23) 		5 GLY A 261
GLY A  50
GLU A 196
VAL A 211
ILE A 249
 None
 0.74A 3p97C-4dk1A:
undetectable		 3p97C-4dk1A:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.25A 3p97C-4e7nA:
undetectable		 3p97C-4e7nA:
18.98
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.
4gc5 DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL

(Mus musculus) 		PF00398
(RrnaAD) 		6 GLY A  63
GLY A  65
GLY A  68
LYS A  86
ASP A 111
VAL A 112
 ACT  A 402 (-3.4A)
None
None
None
None
None
 0.67A 3p97C-4gc5A:
8.5		 3p97C-4gc5A:
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.
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
 1.47A 3p97C-4hzuA:
undetectable		 3p97C-4hzuA:
21.27
Potential target for repurposing, i.e. matched protein structure has less than 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
 0.86A 3p97C-4iglA:
undetectable		 3p97C-4iglA:
10.69
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
GLU A 111
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)
SO4  A1011 (-4.9A)
SAH  A1001 (-3.7A)
SAH  A1001 (-3.7A)
SAH  A1001 (-3.6A)
SAH  A1001 ( 4.3A)
 0.49A 3p97C-4k6mA:
40.9		 3p97C-4k6mA:
61.90
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) 		8 GLY A  81
GLY A  83
GLY A  86
THR A 104
LYS A 105
GLU A 111
ASP A 131
VAL A 132
 SAH  A1001 (-3.3A)
SAH  A1001 ( 3.7A)
SAH  A1001 (-3.2A)
SAH  A1001 (-4.7A)
None
SO4  A1011 (-4.9A)
SAH  A1001 (-3.7A)
SAH  A1001 (-3.7A)
 1.19A 3p97C-4k6mA:
40.9		 3p97C-4k6mA:
61.90
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) 		6 GLY A  81
GLY A  85
TRP A  87
GLU A 111
ASP A 146
ILE A 147
 SAH  A1001 (-3.3A)
SAH  A1001 (-4.3A)
SAH  A1001 (-3.9A)
SO4  A1011 (-4.9A)
SAH  A1001 (-3.6A)
SAH  A1001 ( 4.3A)
 1.16A 3p97C-4k6mA:
40.9		 3p97C-4k6mA:
61.90
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.
4kru AUTOLYTIC LYSOZYME

(Clostridium
phage phiSM101) 		PF01183
(Glyco_hydro_25) 		6 GLY A  11
TRP A 155
ASP A  29
VAL A  31
ASP A  13
ILE A  12
 None
None
None
None
NDG  A 501 (-3.6A)
None
 1.47A 3p97C-4kruA:
undetectable		 3p97C-4kruA:
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.
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
 1.48A 3p97C-4kv7A:
undetectable		 3p97C-4kv7A:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.24A 3p97C-4lrsB:
3.9		 3p97C-4lrsB:
20.71
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.
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)
 0.63A 3p97C-4n49A:
15.7		 3p97C-4n49A:
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.
4ra6 L-ASPARAGINASE

(Pyrococcus
furiosus) 		no annotation 5 GLY B 288
GLY B 231
GLY B 235
GLY B 267
ILE B 229
 None
 0.89A 3p97C-4ra6B:
undetectable		 3p97C-4ra6B:
20.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.21A 3p97C-4ru5A:
undetectable		 3p97C-4ru5A:
16.67
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.
4uzj NOTUM

(Drosophila
melanogaster) 		PF03283
(PAE) 		5 GLY A 242
GLY A 271
GLY A 239
ASP A 345
VAL A 344
 None
 0.89A 3p97C-4uzjA:
undetectable		 3p97C-4uzjA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.82A 3p97C-4ynnA:
undetectable		 3p97C-4ynnA:
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.
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
 0.72A 3p97C-5a22A:
12.2		 3p97C-5a22A:
9.04
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.
5aa5 NIFE-HYDROGENASE
SMALL SUBUNIT, HOFK
NIFE-HYDROGENASE
LARGE SUBUNIT, HOFG

(Cupriavidus
necator;
Cupriavidus
necator) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C)
PF00374
(NiFeSe_Hases) 		6 GLY A  29
GLY A  34
GLY A  97
ASP C  86
VAL C 205
ASP A  33
 None
SF4  A 503 ( 3.8A)
SF4  A 503 ( 4.3A)
None
None
None
 1.42A 3p97C-5aa5A:
undetectable		 3p97C-5aa5A:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.87A 3p97C-5ccxA:
9.2		 3p97C-5ccxA:
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.
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)
 0.96A 3p97C-5ccxA:
9.2		 3p97C-5ccxA:
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.
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
 0.88A 3p97C-5e7qA:
undetectable		 3p97C-5e7qA:
17.55
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) 		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 301 (-3.2A)
SAM  A 301 (-3.3A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.6A)
SAM  A 301 (-4.6A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.6A)
SAM  A 301 (-3.8A)
SAM  A 301 ( 4.2A)
 0.27A 3p97C-5e9qA:
43.9		 3p97C-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) 		6 GLY A  58
GLY A  83
GLY A  86
THR A 104
LYS A 105
ASP A 131
 SAM  A 301 (-3.2A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.1A)
SAM  A 301 (-4.6A)
None
SAM  A 301 (-3.4A)
 0.95A 3p97C-5e9qA:
43.9		 3p97C-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.
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
 1.26A 3p97C-5gvtA:
undetectable		 3p97C-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
 1.44A 3p97C-5hdmA:
undetectable		 3p97C-5hdmA:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 3p97C-5hxwA:
undetectable		 3p97C-5hxwA:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.89A 3p97C-5i39A:
2.8		 3p97C-5i39A:
21.70
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
THR A 104
LYS A 105
GLU A 111
ASP A 131
VAL A 132
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 (-4.5A)
MLT  A 313 ( 3.0A)
None
MLT  A 313 ( 2.6A)
SAM  A 311 (-3.7A)
SAM  A 311 ( 4.3A)
 0.68A 3p97C-5ikmA:
42.5		 3p97C-5ikmA:
81.65
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
LYS A 105
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 ( 3.0A)
MLT  A 313 ( 2.6A)
SAM  A 311 (-3.7A)
SAM  A 311 (-3.8A)
SAM  A 311 ( 4.3A)
 0.43A 3p97C-5ikmA:
42.5		 3p97C-5ikmA:
81.65
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)
 1.33A 3p97C-5ikmA:
42.5		 3p97C-5ikmA:
81.65
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.
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
 0.78A 3p97C-5jd8A:
undetectable		 3p97C-5jd8A:
20.81
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) 		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  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 (-3.0A)
SAH  A1003 (-3.7A)
SAH  A1003 (-3.8A)
SAH  A1003 ( 4.3A)
 0.47A 3p97C-5jjrA:
43.8		 3p97C-5jjrA:
99.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 3p97C-5kpgA:
7.5		 3p97C-5kpgA:
20.43
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.
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
GLU A 111
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)
 0.27A 3p97C-5njuA:
40.2		 3p97C-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 8 GLY A  81
GLY A  83
GLY A  86
THR A 104
LYS A 105
GLU A 111
ASP A 131
VAL A 132
 SAH  A1001 (-3.4A)
SAH  A1001 (-3.4A)
SAH  A1001 (-3.3A)
SAH  A1001 (-4.4A)
None
None
SAH  A1001 (-3.9A)
SAH  A1001 (-3.6A)
 1.11A 3p97C-5njuA:
40.2		 3p97C-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 3p97C-5svcA:
undetectable		 3p97C-5svcA:
15.92
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.
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
GLU A 111
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)
None
SAH  A1001 (-4.0A)
SAH  A1001 (-4.0A)
SAH  A1001 (-3.8A)
SAH  A1001 ( 4.8A)
 0.43A 3p97C-5tmhA:
40.2		 3p97C-5tmhA:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.80A 3p97C-5u4qA:
5.0		 3p97C-5u4qA:
20.17