SIMILAR PATTERNS OF AMINO ACIDS FOR 4CTK_A_SAMA1263

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 4ctkA-1e08A:
undetectable		 4ctkA-1e08A:
20.27
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)
 0.42A 4ctkA-1eizA:
14.7		 4ctkA-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.
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
 1.36A 4ctkA-1ekqA:
2.1		 4ctkA-1ekqA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.25A 4ctkA-1eltA:
undetectable		 4ctkA-1eltA:
20.27
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.
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
 0.90A 4ctkA-1ffvA:
undetectable		 4ctkA-1ffvA:
21.17
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.
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 4ctkA-1l2qA:
undetectable		 4ctkA-1l2qA:
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.
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
 1.31A 4ctkA-1op2A:
undetectable		 4ctkA-1op2A:
18.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1r6a GENOME POLYPROTEIN

(Dengue virus) 		PF01728
(FtsJ) 		11 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
LYS A 105
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)
SAH  A 887 ( 3.3A)
SAH  A 887 (-3.5A)
SAH  A 887 (-3.9A)
SAH  A 887 ( 4.2A)
 0.58A 4ctkA-1r6aA:
41.8		 4ctkA-1r6aA:
75.09
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) 		6 GLY A  58
GLY A  83
GLY A  86
THR A 104
LYS A 105
GLU A 111
 SAH  A 887 (-3.0A)
SAH  A 887 (-3.6A)
SAH  A 887 (-3.3A)
SAH  A 887 (-4.5A)
SO4  A 902 (-2.7A)
None
 1.14A 4ctkA-1r6aA:
41.8		 4ctkA-1r6aA:
75.09
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.
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
 1.47A 4ctkA-1r6vA:
undetectable		 4ctkA-1r6vA:
18.25
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.
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
 1.37A 4ctkA-1vclA:
undetectable		 4ctkA-1vclA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.74A 4ctkA-1vcwA:
undetectable		 4ctkA-1vcwA:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.89A 4ctkA-1y8tA:
undetectable		 4ctkA-1y8tA:
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.
2afb 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Thermotoga
maritima) 		PF00294
(PfkB) 		6 GLY A 134
GLY A   7
THR A  53
LYS A  54
GLU A   8
ILE A 146
 None
 1.46A 4ctkA-2afbA:
undetectable		 4ctkA-2afbA:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.20A 4ctkA-2ap1A:
undetectable		 4ctkA-2ap1A:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4ctkA-2b25A:
8.4		 4ctkA-2b25A:
24.12
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.
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
 1.37A 4ctkA-2ehqA:
3.3		 4ctkA-2ehqA:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.88A 4ctkA-2et6A:
4.8		 4ctkA-2et6A:
18.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4ctkA-2nyuA:
14.0		 4ctkA-2nyuA:
21.86
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)
 0.38A 4ctkA-2oxtA:
39.6		 4ctkA-2oxtA:
51.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oxt NUCLEOSIDE-2'-O-METH
YLTRANSFERASE

(Meaban virus) 		PF01728
(FtsJ) 		8 GLY A  59
GLY A  82
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 (-3.3A)
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)
 0.69A 4ctkA-2oxtA:
39.6		 4ctkA-2oxtA:
51.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oxt NUCLEOSIDE-2'-O-METH
YLTRANSFERASE

(Meaban virus) 		PF01728
(FtsJ) 		6 GLY A  82
GLY A  59
GLY A  87
GLY A  84
THR A  60
ASP A 147
 SAM  A 300 (-3.3A)
SAM  A 300 (-3.1A)
SAM  A 300 (-3.2A)
SAM  A 300 (-3.5A)
None
SAM  A 300 (-3.9A)
 1.34A 4ctkA-2oxtA:
39.6		 4ctkA-2oxtA:
51.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oy0 METHYLTRANSFERASE

(West Nile virus) 		PF01728
(FtsJ) 		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 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 (-3.2A)
SAH  A 301 (-3.8A)
SAH  A 301 (-4.2A)
SAH  A 301 ( 4.3A)
 0.48A 4ctkA-2oy0A:
40.4		 4ctkA-2oy0A:
61.94
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) 		7 GLY A  86
TRP A  87
LYS A 105
GLU A 111
VAL A 132
ASP A 146
ILE A 147
 SAH  A 301 (-3.0A)
SAH  A 301 (-3.7A)
None
SAH  A 301 (-3.5A)
SAH  A 301 (-3.8A)
SAH  A 301 (-4.2A)
SAH  A 301 ( 4.3A)
 1.46A 4ctkA-2oy0A:
40.4		 4ctkA-2oy0A:
61.94
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 4ctkA-2px5A:
41.3		 4ctkA-2px5A:
60.44
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  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  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 (-3.5A)
SAH  A 500 (-3.6A)
SAH  A 500 (-3.6A)
SAH  A 500 ( 4.3A)
 0.65A 4ctkA-2px5A:
41.3		 4ctkA-2px5A:
60.44
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  86
TRP A  87
GLU A 111
ASP A 131
ASP A 146
ILE A 147
 SAH  A 500 (-3.2A)
SAH  A 500 (-3.4A)
SAH  A 500 ( 3.2A)
SAH  A 500 (-3.5A)
SAH  A 500 (-3.6A)
SAH  A 500 ( 4.3A)
 1.47A 4ctkA-2px5A:
41.3		 4ctkA-2px5A:
60.44
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.
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
 0.79A 4ctkA-2qy6A:
5.4		 4ctkA-2qy6A:
21.68
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.
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
 0.73A 4ctkA-2r3uA:
undetectable		 4ctkA-2r3uA:
22.15
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)
 0.44A 4ctkA-2wa2A:
33.4		 4ctkA-2wa2A:
50.37
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.
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 4ctkA-2xn8A:
undetectable		 4ctkA-2xn8A:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.88A 4ctkA-2z8zA:
undetectable		 4ctkA-2z8zA:
19.54
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.
3bpu MEMBRANE-ASSOCIATED
GUANYLATE KINASE, WW
AND PDZ
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00595
(PDZ) 		5 GLY A 649
ASP A 684
VAL A 668
ASP A 673
ILE A 671
 None
 0.90A 4ctkA-3bpuA:
undetectable		 4ctkA-3bpuA:
16.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4ctkA-3douA:
13.8		 4ctkA-3douA:
19.13
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)
 0.42A 4ctkA-3eluA:
39.1		 4ctkA-3eluA:
51.88
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)
 0.30A 4ctkA-3evcA:
40.7		 4ctkA-3evcA:
51.94
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 4ctkA-3evcA:
40.7		 4ctkA-3evcA:
51.94
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.
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 4ctkA-3g01A:
undetectable		 4ctkA-3g01A:
21.48
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)
 0.38A 4ctkA-3gczA:
41.1		 4ctkA-3gczA:
55.85
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.
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
 1.27A 4ctkA-3gd5A:
4.5		 4ctkA-3gd5A:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.69A 4ctkA-3lgiA:
undetectable		 4ctkA-3lgiA:
22.22
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) 		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
 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 (-3.1A)
SFG  A 301 (-4.1A)
SFG  A 301 (-3.8A)
SFG  A 301 (-4.1A)
 0.42A 4ctkA-3lkzA:
41.2		 4ctkA-3lkzA:
54.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lkz NON-STRUCTURAL
PROTEIN 5

(West Nile virus) 		PF01728
(FtsJ) 		6 GLY A  81
GLY A  58
GLY A  86
GLY A  83
THR A  59
ASP A 146
 SFG  A 301 (-3.5A)
SFG  A 301 (-2.9A)
SFG  A 301 (-3.4A)
SFG  A 301 (-3.3A)
None
SFG  A 301 (-3.8A)
 1.36A 4ctkA-3lkzA:
41.2		 4ctkA-3lkzA:
54.86
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.
3nlc UNCHARACTERIZED
PROTEIN VP0956

(Vibrio
parahaemolyticus) 		no annotation 5 GLY A 264
GLY A 162
GLY A 160
THR A 163
ILE A 514
 FAD  A 601 (-3.2A)
FAD  A 601 (-3.1A)
FAD  A 601 (-3.4A)
None
FAD  A 601 (-3.9A)
 0.85A 4ctkA-3nlcA:
undetectable		 4ctkA-3nlcA:
19.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ps9 TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC

(Escherichia
coli) 		PF01266
(DAO)
PF05430
(Methyltransf_30) 		5 GLY A  66
GLY A  68
LYS A 102
ASP A 156
ASP A 178
 SAM  A 670 (-3.5A)
SAM  A 670 (-3.2A)
SAM  A 670 (-4.9A)
SAM  A 670 (-3.5A)
SAM  A 670 (-3.4A)
 0.82A 4ctkA-3ps9A:
3.7		 4ctkA-3ps9A:
18.01
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.
3ps9 TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC

(Escherichia
coli) 		PF01266
(DAO)
PF05430
(Methyltransf_30) 		5 GLY A  66
GLY A  70
LYS A 102
ASP A 156
ASP A 178
 SAM  A 670 (-3.5A)
SAM  A 670 ( 4.5A)
SAM  A 670 (-4.9A)
SAM  A 670 (-3.5A)
SAM  A 670 (-3.4A)
 0.88A 4ctkA-3ps9A:
3.7		 4ctkA-3ps9A:
18.01
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.
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
 0.78A 4ctkA-3pv2A:
undetectable		 4ctkA-3pv2A:
20.26
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.
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
 0.79A 4ctkA-3pv4A:
undetectable		 4ctkA-3pv4A:
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.
3pvc TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC

(Yersinia pestis) 		PF01266
(DAO)
PF05430
(Methyltransf_30) 		6 GLY A  66
GLY A  70
LYS A 102
ASP A 156
VAL A 157
ASP A 178
 None
 0.91A 4ctkA-3pvcA:
6.2		 4ctkA-3pvcA:
15.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.30A 4ctkA-3s69A:
undetectable		 4ctkA-3s69A:
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.
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
 1.27A 4ctkA-3s9bA:
undetectable		 4ctkA-3s9bA:
21.71
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.
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
 1.47A 4ctkA-3ufaA:
undetectable		 4ctkA-3ufaA:
25.10
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.
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 4ctkA-3ugkA:
undetectable		 4ctkA-3ugkA:
21.88
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.
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 4ctkA-3vmlA:
undetectable		 4ctkA-3vmlA:
23.71
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.
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)
 0.90A 4ctkA-3vywA:
6.5		 4ctkA-3vywA:
24.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4ctkA-3w9hA:
undetectable		 4ctkA-3w9hA:
14.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.85A 4ctkA-4a9wA:
undetectable		 4ctkA-4a9wA:
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.
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
 0.74A 4ctkA-4aukA:
12.5		 4ctkA-4aukA:
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.
4cjx C-1-TETRAHYDROFOLATE
SYNTHASE,
CYTOPLASMIC,
PUTATIVE

(Trypanosoma
brucei) 		PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C) 		5 GLY A 172
GLY A 237
GLY A 217
GLY A 170
VAL A 271
 NAP  A1301 (-3.3A)
NAP  A1301 (-3.3A)
NAP  A1301 (-2.8A)
NAP  A1301 (-3.3A)
None
 0.82A 4ctkA-4cjxA:
4.6		 4ctkA-4cjxA:
21.75
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.
4e7n SNAKE-VENOM
THROMBIN-LIKE ENZYME

(Gloydius halys) 		PF00089
(Trypsin) 		6 GLY A 142
GLY A  44
GLY A 196
GLY A 193
THR A  54
VAL A  52
 None
 1.28A 4ctkA-4e7nA:
undetectable		 4ctkA-4e7nA:
18.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.84A 4ctkA-4gc5A:
8.5		 4ctkA-4gc5A:
22.29
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.
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
 1.46A 4ctkA-4hzuA:
undetectable		 4ctkA-4hzuA:
20.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.84A 4ctkA-4jcnA:
undetectable		 4ctkA-4jcnA:
18.21
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)
 0.54A 4ctkA-4k6mA:
41.1		 4ctkA-4k6mA:
30.22
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  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
ASP A 146
ILE A 147
 SAH  A1001 (-3.1A)
SAH  A1001 (-3.3A)
SAH  A1001 ( 3.7A)
SAH  A1001 (-3.2A)
SAH  A1001 (-3.9A)
SAH  A1001 (-4.7A)
SAH  A1001 (-3.6A)
SAH  A1001 ( 4.3A)
 0.51A 4ctkA-4k6mA:
41.1		 4ctkA-4k6mA:
30.22
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.
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
 1.39A 4ctkA-4kruA:
undetectable		 4ctkA-4kruA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4ctkA-4lrsB:
3.3		 4ctkA-4lrsB:
19.53
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.
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
 1.43A 4ctkA-4n0qA:
2.5		 4ctkA-4n0qA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.58A 4ctkA-4n49A:
15.8		 4ctkA-4n49A:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ra6 L-ASPARAGINASE

(Pyrococcus
furiosus) 		no annotation 5 GLY B 288
GLY B 231
GLY B 235
GLY B 267
ILE B 229
 None
 0.87A 4ctkA-4ra6B:
undetectable		 4ctkA-4ra6B:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.72A 4ctkA-4ynnA:
undetectable		 4ctkA-4ynnA:
19.70
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.
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 4ctkA-4yo1A:
undetectable		 4ctkA-4yo1A:
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.
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
 0.82A 4ctkA-5a22A:
12.4		 4ctkA-5a22A:
9.26
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.
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
 0.84A 4ctkA-5brrE:
undetectable		 4ctkA-5brrE:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4ctkA-5ccxA:
9.1		 4ctkA-5ccxA:
21.85
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.
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 4ctkA-5ccxA:
9.1		 4ctkA-5ccxA:
21.85
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)
 0.21A 4ctkA-5e9qA:
45.3		 4ctkA-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 4ctkA-5e9qA:
45.3		 4ctkA-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.
5erg TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRM61

(Saccharomyces
cerevisiae) 		PF08704
(GCD14) 		5 GLY B 118
GLY B 120
ASP B 168
VAL B 169
ASP B 203
 SAM  B 401 (-3.4A)
SAM  B 401 (-3.3A)
SAM  B 401 (-3.5A)
SAM  B 401 (-3.7A)
SAM  B 401 (-3.3A)
 0.87A 4ctkA-5ergB:
8.7		 4ctkA-5ergB:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 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
 0.83A 4ctkA-5gndA:
undetectable		 4ctkA-5gndA:
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.
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
 1.29A 4ctkA-5gvtA:
undetectable		 4ctkA-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
 1.39A 4ctkA-5hdmA:
undetectable		 4ctkA-5hdmA:
21.83
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.
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
 0.86A 4ctkA-5hxwA:
undetectable		 4ctkA-5hxwA:
20.60
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.
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 4ctkA-5i39A:
undetectable		 4ctkA-5i39A:
21.03
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) 		8 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
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)
None
SAM  A 311 (-3.8A)
 0.70A 4ctkA-5ikmA:
42.8		 4ctkA-5ikmA:
80.73
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)
 0.47A 4ctkA-5ikmA:
42.8		 4ctkA-5ikmA:
80.73
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 4ctkA-5ikmA:
42.8		 4ctkA-5ikmA:
80.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.67A 4ctkA-5jd8A:
undetectable		 4ctkA-5jd8A:
20.67
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)
 0.40A 4ctkA-5jjrA:
43.9		 4ctkA-5jjrA:
99.63
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.
5jwf ASP/GLU-SPECIFIC
DIPEPTIDYL-PEPTIDASE

(Porphyromonas
gingivalis) 		PF10459
(Peptidase_S46) 		5 GLY A 277
GLY A 274
GLY A 653
ASP A  60
ILE A 125
 None
 0.90A 4ctkA-5jwfA:
undetectable		 4ctkA-5jwfA:
15.45
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.
5jy1 PUTATIVE SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE

(Paraburkholderia
xenovorans) 		PF13561
(adh_short_C2) 		5 GLY A  13
GLY A  15
GLY A  21
ASP A  63
VAL A  64
 NAD  A 301 (-3.4A)
NAD  A 301 ( 4.2A)
None
NAD  A 301 (-3.8A)
NAD  A 301 (-3.6A)
 0.90A 4ctkA-5jy1A:
5.4		 4ctkA-5jy1A:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4ctkA-5kpgA:
7.5		 4ctkA-5kpgA:
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.
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)
 0.59A 4ctkA-5njuA:
40.4		 4ctkA-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
 0.85A 4ctkA-5svcA:
undetectable		 4ctkA-5svcA:
16.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tmh POLYPROTEIN

(Zika virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		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)
 0.34A 4ctkA-5tmhA:
40.2		 4ctkA-5tmhA:
31.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4ctkA-5u4qA:
6.0		 4ctkA-5u4qA:
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.
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
 1.48A 4ctkA-5vk4A:
undetectable		 4ctkA-5vk4A:
23.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.86A 4ctkA-5xdyA:
undetectable		 4ctkA-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
 0.85A 4ctkA-5y2dA:
undetectable		 4ctkA-5y2dA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yb7 L-AMINO ACID
OXIDASE/MONOOXYGENAS
E

(Pseudomonas sp.
AIU 813) 		no annotation 6 GLY A  57
GLY A  52
THR A 330
GLU A  75
ASP A 508
ILE A  55
 None
FAD  A 601 (-3.2A)
None
FAD  A 601 (-2.8A)
FAD  A 601 (-3.2A)
FAD  A 601 (-4.8A)
 1.46A 4ctkA-5yb7A:
2.1		 4ctkA-5yb7A:
undetectable