SIMILAR PATTERNS OF AMINO ACIDS FOR 4CTK_C_SAMC1263

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.
1bru ELASTASE

(Sus scrofa) 		PF00089
(Trypsin) 		6 GLY P 142
GLY P  44
GLY P 196
GLY P 193
THR P  54
VAL P  52
 None
None
None
1NB  P   1 (-3.5A)
None
None
 1.27A 4ctkC-1bruP:
undetectable		 4ctkC-1bruP:
21.58
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.
1eiz FTSJ

(Escherichia
coli) 		PF01728
(FtsJ) 		5 SER A  33
GLY A  59
GLY A  64
TRP A  65
ASP A 124
 SAM  A 301 ( 4.6A)
SAM  A 301 (-3.6A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.6A)
SAM  A 301 (-3.6A)
 0.71A 4ctkC-1eizA:
14.5		 4ctkC-1eizA:
22.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1elt ELASTASE

(Salmo salar) 		PF00089
(Trypsin) 		6 GLY A 142
GLY A  44
GLY A 197
GLY A 193
VAL A  52
ILE A  31
 None
 1.27A 4ctkC-1eltA:
undetectable		 4ctkC-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
 0.89A 4ctkC-1ffvA:
undetectable		 4ctkC-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.
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 4ctkC-1kplA:
undetectable		 4ctkC-1kplA:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4ctkC-1l2qA:
undetectable		 4ctkC-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.
1l6r HYPOTHETICAL PROTEIN
TA0175

(Thermoplasma
acidophilum) 		PF08282
(Hydrolase_3) 		5 SER A 141
GLY A 113
GLY A  64
GLY A  43
ILE A  46
 CA  A 904 ( 4.9A)
None
None
CA  A 904 ( 4.4A)
None
 0.89A 4ctkC-1l6rA:
undetectable		 4ctkC-1l6rA:
19.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.87A 4ctkC-1muuA:
3.0		 4ctkC-1muuA:
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.
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
 1.28A 4ctkC-1op2A:
undetectable		 4ctkC-1op2A:
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.
1p9b ADENYLOSUCCINATE
SYNTHETASE

(Plasmodium
falciparum) 		PF00709
(Adenylsucc_synt) 		5 SER A 249
GLY A  82
GLY A  84
GLY A  48
VAL A 212
 None
 0.83A 4ctkC-1p9bA:
undetectable		 4ctkC-1p9bA:
19.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1r6a GENOME POLYPROTEIN

(Dengue virus) 		PF01728
(FtsJ) 		11 SER A  56
GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
GLU A 111
VAL A 132
ASP A 146
ILE A 147
 SAH  A 887 ( 2.8A)
SAH  A 887 (-3.0A)
SAH  A 887 (-3.6A)
SAH  A 887 (-3.6A)
SAH  A 887 (-3.3A)
SAH  A 887 (-3.5A)
SAH  A 887 (-4.5A)
None
SAH  A 887 (-3.5A)
SAH  A 887 (-3.9A)
SAH  A 887 ( 4.2A)
 0.23A 4ctkC-1r6aA:
41.7		 4ctkC-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) 		11 SER A  56
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 887 ( 2.8A)
SAH  A 887 (-3.0A)
SAH  A 887 (-3.6A)
SAH  A 887 (-3.6A)
SAH  A 887 (-3.3A)
SAH  A 887 (-3.5A)
SAH  A 887 (-4.5A)
SO4  A 902 (-2.7A)
SAH  A 887 (-3.5A)
SAH  A 887 (-3.9A)
SAH  A 887 ( 4.2A)
 0.66A 4ctkC-1r6aA:
41.7		 4ctkC-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.
1r8y GLYCINE
N-METHYLTRANSFERASE

(Mus musculus) 		PF13847
(Methyltransf_31) 		6 SER A 139
GLY A 137
GLY A  68
GLY A  66
ASP A  70
ILE A  72
 None
 1.41A 4ctkC-1r8yA:
7.8		 4ctkC-1r8yA:
22.71
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.
1sgf NERVE GROWTH FACTOR

(Mus musculus) 		PF00089
(Trypsin) 		6 GLY G 142
GLY G  44
GLY G 196
GLY G 193
THR G  54
VAL G  52
 None
 1.38A 4ctkC-1sgfG:
undetectable		 4ctkC-1sgfG:
19.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uxt GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
(NADP+)

(Thermoproteus
tenax) 		PF00171
(Aldedh) 		6 SER A 468
GLY A 464
GLY A 267
GLY A 422
GLU A 395
ASP A 424
 None
None
None
None
NAD  A1503 (-2.9A)
None
 1.18A 4ctkC-1uxtA:
undetectable		 4ctkC-1uxtA:
19.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.86A 4ctkC-1vcwA:
undetectable		 4ctkC-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.
2aip PROTEIN C ACTIVATOR

(Agkistrodon
contortrix) 		PF00089
(Trypsin) 		6 GLY A 142
GLY A  44
GLY A 196
GLY A 193
THR A  54
VAL A  52
 None
None
None
SO4  A 301 (-3.9A)
None
None
 1.31A 4ctkC-2aipA:
undetectable		 4ctkC-2aipA:
18.82
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.
2iny HEXON PROTEIN

(Fowl
aviadenovirus A) 		PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C) 		5 SER A 564
GLY A 567
GLY A 672
LYS A 556
ASP A 569
 None
 0.89A 4ctkC-2inyA:
undetectable		 4ctkC-2inyA:
13.30
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.
2nyu PUTATIVE RIBOSOMAL
RNA
METHYLTRANSFERASE 2

(Homo sapiens) 		PF01728
(FtsJ) 		5 SER A   4
GLY A  30
TRP A  36
VAL A  80
ASP A 104
 SAM  A 201 ( 4.8A)
SAM  A 201 (-3.5A)
SAM  A 201 (-3.9A)
SAM  A 201 (-3.9A)
SAM  A 201 (-3.7A)
 0.76A 4ctkC-2nyuA:
14.0		 4ctkC-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
 1.12A 4ctkC-2nzoA:
undetectable		 4ctkC-2nzoA:
16.61
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.
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 4ctkC-2okjA:
undetectable		 4ctkC-2okjA:
20.08
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)
 1.35A 4ctkC-2oxtA:
39.6		 4ctkC-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) 		9 SER A  57
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 (-2.6A)
SAM  A 300 (-3.1A)
SAM  A 300 (-3.3A)
SAM  A 300 (-3.5A)
SAM  A 300 (-3.2A)
SAM  A 300 (-3.8A)
SAM  A 300 (-4.6A)
None
SAM  A 300 (-3.9A)
 0.56A 4ctkC-2oxtA:
39.6		 4ctkC-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) 		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)
 1.39A 4ctkC-2oy0A:
40.4		 4ctkC-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) 		11 SER A  56
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 301 (-3.0A)
SAH  A 301 (-3.4A)
SAH  A 301 (-3.0A)
SAH  A 301 (-3.2A)
SAH  A 301 (-3.0A)
SAH  A 301 (-3.7A)
SAH  A 301 (-4.4A)
None
SAH  A 301 (-3.8A)
SAH  A 301 (-4.2A)
SAH  A 301 ( 4.3A)
 0.42A 4ctkC-2oy0A:
40.4		 4ctkC-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) 		6 SER A  56
GLY A  58
GLY A  83
GLY A  86
THR A 104
GLU A 111
 SAH  A 301 (-3.0A)
SAH  A 301 (-3.4A)
SAH  A 301 (-3.2A)
SAH  A 301 (-3.0A)
SAH  A 301 (-4.4A)
SAH  A 301 (-3.5A)
 0.97A 4ctkC-2oy0A:
40.4		 4ctkC-2oy0A:
61.94
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.
2pcq PUTATIVE
DIHYDRODIPICOLINATE
SYNTHASE

(Thermus
thermophilus) 		PF00701
(DHDPS) 		6 SER A  40
GLY A  39
GLY A 192
GLY A 176
THR A 175
ILE A   2
 None
 1.30A 4ctkC-2pcqA:
undetectable		 4ctkC-2pcqA:
21.98
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)
 0.82A 4ctkC-2px5A:
41.2		 4ctkC-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 SER A  56
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
 SAH  A 500 (-2.5A)
SAH  A 500 (-3.3A)
SAH  A 500 (-3.4A)
SAH  A 500 ( 3.7A)
SAH  A 500 (-3.2A)
SAH  A 500 (-3.4A)
SAH  A 500 ( 4.6A)
SAH  A 500 (-3.6A)
SAH  A 500 (-3.6A)
SAH  A 500 ( 4.3A)
 0.31A 4ctkC-2px5A:
41.2		 4ctkC-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 SER A  56
GLY A  58
GLY A  83
GLY A  86
THR A 104
GLU A 111
 SAH  A 500 (-2.5A)
SAH  A 500 (-3.3A)
SAH  A 500 ( 3.7A)
SAH  A 500 (-3.2A)
SAH  A 500 ( 4.6A)
SAH  A 500 ( 3.2A)
 0.96A 4ctkC-2px5A:
41.2		 4ctkC-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.
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
 0.84A 4ctkC-2r3uA:
undetectable		 4ctkC-2r3uA:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v35 ELASTASE-1

(Sus scrofa) 		PF00089
(Trypsin) 		6 GLY A 142
GLY A  44
GLY A 197
GLY A 193
VAL A  52
ILE A  31
 None
None
None
GOL  A1250 (-3.8A)
None
None
 1.26A 4ctkC-2v35A:
undetectable		 4ctkC-2v35A:
23.67
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
GLU A 112
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 (-3.4A)
SAM  A1248 (-3.7A)
SAM  A1248 ( 4.0A)
 0.38A 4ctkC-2wa2A:
33.1		 4ctkC-2wa2A:
50.37
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) 		5 SER A  57
GLY A  59
TRP A  88
ASP A 147
ILE A 148
 SAM  A1248 ( 4.7A)
SAM  A1248 ( 3.7A)
SAM  A1248 (-3.7A)
SAM  A1248 (-3.7A)
SAM  A1248 ( 4.0A)
 0.89A 4ctkC-2wa2A:
33.1		 4ctkC-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
 0.73A 4ctkC-2xn8A:
undetectable		 4ctkC-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.
2y8n 4-HYDROXYPHENYLACETA
TE DECARBOXYLASE
LARGE SUBUNIT

(Clostridium
scatologenes) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 SER A 141
GLY A 398
GLY A 394
VAL A 589
ILE A 538
 None
 0.83A 4ctkC-2y8nA:
undetectable		 4ctkC-2y8nA:
14.59
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.
3dou RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J

(Thermoplasma
volcanium) 		PF01728
(FtsJ) 		5 SER A  20
GLY A  46
GLY A  51
TRP A  52
ASP A 111
 SAM  A   1 ( 4.5A)
SAM  A   1 (-3.5A)
SAM  A   1 (-3.2A)
SAM  A   1 (-4.0A)
SAM  A   1 (-3.7A)
 0.81A 4ctkC-3douA:
13.7		 4ctkC-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) 		11 SER A  56
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 ( 2.7A)
SAM  A4633 ( 3.7A)
SAM  A4633 (-3.2A)
SAM  A4633 (-3.4A)
SAM  A4633 (-3.4A)
SAM  A4633 (-3.5A)
SAM  A4633 (-4.5A)
None
SAM  A4633 (-3.4A)
SAM  A4633 (-3.7A)
SAM  A4633 ( 4.2A)
 0.39A 4ctkC-3eluA:
38.9		 4ctkC-3eluA:
51.88
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.
3eo4 UNCHARACTERIZED
PROTEIN MJ1062

(Methanocaldococcus
jannaschii) 		PF13302
(Acetyltransf_3) 		5 SER A 449
GLY A 446
GLY A 436
GLY A 417
ILE A 374
 None
MES  A   2 (-3.7A)
None
None
None
 0.83A 4ctkC-3eo4A:
undetectable		 4ctkC-3eo4A:
19.72
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 4ctkC-3evcA:
40.7		 4ctkC-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) 		9 SER A  56
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  A 901 (-2.6A)
SAH  A 901 (-3.2A)
SAH  A 901 (-3.4A)
SAH  A 901 (-3.3A)
SAH  A 901 (-3.1A)
SAH  A 901 (-3.6A)
SAH  A 901 (-4.5A)
SAH  A 901 (-3.8A)
SAH  A 901 ( 4.2A)
 0.17A 4ctkC-3evcA:
40.7		 4ctkC-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
 0.80A 4ctkC-3g01A:
undetectable		 4ctkC-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.
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
 0.83A 4ctkC-3g48A:
undetectable		 4ctkC-3g48A:
16.85
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 SER A  56
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 (-2.7A)
SAM  A4633 (-3.5A)
SAM  A4633 (-3.4A)
SAM  A4633 (-3.4A)
SAM  A4633 (-3.2A)
SAM  A4633 (-3.6A)
SAM  A4633 (-4.5A)
None
SAM  A4633 (-3.6A)
SAM  A4633 (-3.7A)
SAM  A4633 ( 4.2A)
 0.32A 4ctkC-3gczA:
40.8		 4ctkC-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.
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
 1.28A 4ctkC-3h7tA:
undetectable		 4ctkC-3h7tA:
20.14
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.
3hp7 HEMOLYSIN, PUTATIVE

(Streptococcus
thermophilus) 		PF01479
(S4)
PF01728
(FtsJ) 		5 SER A  64
GLY A  66
GLY A  90
GLY A  95
ASP A 155
 None
None
EOH  A 301 ( 3.7A)
None
None
 0.76A 4ctkC-3hp7A:
13.8		 4ctkC-3hp7A:
23.75
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.
3ke3 PUTATIVE
SERINE-PYRUVATE
AMINOTRANSFERASE

(Psychrobacter
arcticus) 		PF00266
(Aminotran_5) 		5 SER A 201
GLY A 199
GLY A 354
GLU A 266
ILE A 274
 LLP  A 198 ( 4.3A)
LLP  A 198 ( 2.4A)
LLP  A 198 ( 4.8A)
None
None
 0.85A 4ctkC-3ke3A:
2.4		 4ctkC-3ke3A:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4ctkC-3lgiA:
undetectable		 4ctkC-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) 		6 GLY A  81
GLY A  58
GLY A  86
GLY A  83
THR A  59
ASP A 146
 SFG  A 301 (-3.5A)
SFG  A 301 (-2.9A)
SFG  A 301 (-3.4A)
SFG  A 301 (-3.3A)
None
SFG  A 301 (-3.8A)
 1.37A 4ctkC-3lkzA:
40.9		 4ctkC-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) 		11 SER A  56
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
 SFG  A 301 (-2.6A)
SFG  A 301 (-2.9A)
SFG  A 301 (-3.5A)
SFG  A 301 (-3.3A)
SFG  A 301 (-3.4A)
SFG  A 301 (-3.7A)
SFG  A 301 ( 4.7A)
None
SFG  A 301 (-4.1A)
SFG  A 301 (-3.8A)
SFG  A 301 (-4.1A)
 0.36A 4ctkC-3lkzA:
40.9		 4ctkC-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) 		7 SER A  56
GLY A  58
GLY A  83
GLY A  86
THR A 104
GLU A 111
VAL A 132
 SFG  A 301 (-2.6A)
SFG  A 301 (-2.9A)
SFG  A 301 (-3.3A)
SFG  A 301 (-3.4A)
SFG  A 301 ( 4.7A)
SFG  A 301 (-3.7A)
SFG  A 301 (-4.1A)
 0.94A 4ctkC-3lkzA:
40.9		 4ctkC-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 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 4ctkC-3nlcA:
2.1		 4ctkC-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.
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 4ctkC-3nlcA:
2.1		 4ctkC-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.
3o8o 6-PHOSPHOFRUCTOKINAS
E SUBUNIT BETA

(Saccharomyces
cerevisiae) 		PF00365
(PFK) 		5 SER B 213
GLY B 486
GLY B 262
GLY B 210
GLU B 261
 None
 0.81A 4ctkC-3o8oB:
undetectable		 4ctkC-3o8oB:
15.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4ctkC-3opyB:
undetectable		 4ctkC-3opyB:
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.
3pea ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN

(Bacillus
anthracis) 		PF00378
(ECH_1) 		5 SER A  60
GLY A  62
GLY A  84
GLY A 110
THR A  87
 None
 0.86A 4ctkC-3peaA:
undetectable		 4ctkC-3peaA:
19.93
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.
3rf7 IRON-CONTAINING
ALCOHOL
DEHYDROGENASE

(Shewanella
denitrificans) 		PF00465
(Fe-ADH) 		6 SER A 242
GLY A 143
GLY A 137
GLY A 145
VAL A  95
ILE A 138
 None
 1.37A 4ctkC-3rf7A:
undetectable		 4ctkC-3rf7A:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.27A 4ctkC-3s69A:
undetectable		 4ctkC-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
 1.23A 4ctkC-3s9bA:
undetectable		 4ctkC-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.
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 4ctkC-3tviA:
undetectable		 4ctkC-3tviA:
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.
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
 0.85A 4ctkC-3ugkA:
2.3		 4ctkC-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.
3v8u TRANSFERRIN
BINDING-PROTEIN B

(Neisseria
meningitidis) 		PF01298
(TbpB_B_D)
PF17483
(TbpB_C)
PF17484
(TbpB_A) 		5 SER A 173
GLY A 322
GLY A 329
GLY A 319
GLY A 325
 None
 0.81A 4ctkC-3v8uA:
undetectable		 4ctkC-3v8uA:
16.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4auk RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M

(Escherichia
coli) 		PF01728
(FtsJ) 		5 SER A 186
GLY A 219
GLY A 224
TRP A 225
ASP A 277
 None
EDO  A1373 (-3.8A)
None
None
None
 0.71A 4ctkC-4aukA:
12.6		 4ctkC-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
 0.78A 4ctkC-4cjxA:
4.6		 4ctkC-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
 1.24A 4ctkC-4e7nA:
undetectable		 4ctkC-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) 		5 GLY A  63
GLY A  65
GLY A  68
LYS A  86
VAL A 112
 ACT  A 402 (-3.4A)
None
None
None
None
 0.64A 4ctkC-4gc5A:
8.3		 4ctkC-4gc5A:
22.29
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)
 1.15A 4ctkC-4k6mA:
40.7		 4ctkC-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) 		10 SER A  56
GLY A  58
GLY A  81
GLY A  83
GLY A  86
THR A 104
GLU A 111
VAL A 132
ASP A 146
ILE A 147
 SAH  A1001 (-2.8A)
SAH  A1001 (-3.1A)
SAH  A1001 (-3.3A)
SAH  A1001 ( 3.7A)
SAH  A1001 (-3.2A)
SAH  A1001 (-4.7A)
SO4  A1011 (-4.9A)
SAH  A1001 (-3.7A)
SAH  A1001 (-3.6A)
SAH  A1001 ( 4.3A)
 0.29A 4ctkC-4k6mA:
40.7		 4ctkC-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) 		10 SER A  56
GLY A  58
GLY A  81
GLY A  83
GLY A  86
THR A 104
LYS A 105
GLU A 111
VAL A 132
ASP A 146
 SAH  A1001 (-2.8A)
SAH  A1001 (-3.1A)
SAH  A1001 (-3.3A)
SAH  A1001 ( 3.7A)
SAH  A1001 (-3.2A)
SAH  A1001 (-4.7A)
None
SO4  A1011 (-4.9A)
SAH  A1001 (-3.7A)
SAH  A1001 (-3.6A)
 0.65A 4ctkC-4k6mA:
40.7		 4ctkC-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) 		10 SER A  56
GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
GLU A 111
ASP A 146
ILE A 147
 SAH  A1001 (-2.8A)
SAH  A1001 (-3.1A)
SAH  A1001 (-3.3A)
SAH  A1001 ( 3.7A)
SAH  A1001 (-3.2A)
SAH  A1001 (-3.9A)
SAH  A1001 (-4.7A)
SO4  A1011 (-4.9A)
SAH  A1001 (-3.6A)
SAH  A1001 ( 4.3A)
 0.47A 4ctkC-4k6mA:
40.7		 4ctkC-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.
4kc5 RHIE PROTEIN

(Paraburkholderia
rhizoxinica) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		6 SER A3397
GLY A3363
GLY A3371
GLY A3367
THR A3368
LYS A3369
 None
 1.38A 4ctkC-4kc5A:
undetectable		 4ctkC-4kc5A:
14.05
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.
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 4ctkC-4lrsB:
3.8		 4ctkC-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.
4phb UNCHARACTERIZED
PROTEIN

(Ruminiclostridium
thermocellum) 		PF14262
(Cthe_2159) 		5 GLY A 124
GLY A 184
GLY A 159
GLU A 120
ILE A 186
 None
 0.88A 4ctkC-4phbA:
undetectable		 4ctkC-4phbA:
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.
4ra6 L-ASPARAGINASE

(Pyrococcus
furiosus) 		no annotation 5 GLY B 288
GLY B 231
GLY B 235
GLY B 267
ILE B 229
 None
 0.85A 4ctkC-4ra6B:
undetectable		 4ctkC-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.
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
 1.20A 4ctkC-4ru5A:
undetectable		 4ctkC-4ru5A:
18.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xox 3-OXOACYL-ACP
SYNTHASE

(Vibrio cholerae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 SER A 164
GLY A 336
GLY A 232
GLY A 188
ILE A  12
 None
 0.89A 4ctkC-4xoxA:
undetectable		 4ctkC-4xoxA:
21.36
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.
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 4ctkC-4ynnA:
undetectable		 4ctkC-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.
5ccx TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRMT61A

(Homo sapiens) 		PF08704
(GCD14) 		5 GLY A 111
GLY A 113
VAL A 164
ASP A 181
ILE A 182
 SAH  A 301 (-3.2A)
SAH  A 301 (-2.9A)
SAH  A 301 (-4.0A)
SAH  A 301 (-2.4A)
SAH  A 301 ( 3.8A)
 0.86A 4ctkC-5ccxA:
9.2		 4ctkC-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) 		9 SER A  56
GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
LYS A 105
ASP A 146
 SAM  A 301 (-2.7A)
SAM  A 301 (-3.2A)
SAM  A 301 (-3.3A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.6A)
SAM  A 301 (-4.6A)
None
SAM  A 301 (-3.8A)
 0.55A 4ctkC-5e9qA:
43.9		 4ctkC-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) 		10 SER A  56
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  A 301 (-2.7A)
SAM  A 301 (-3.2A)
SAM  A 301 (-3.3A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.6A)
SAM  A 301 (-4.6A)
SAM  A 301 (-3.6A)
SAM  A 301 (-3.8A)
SAM  A 301 ( 4.2A)
 0.17A 4ctkC-5e9qA:
43.9		 4ctkC-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 SER A  56
GLY A  58
GLY A  83
GLY A  86
THR A 104
GLU A 111
 SAM  A 301 (-2.7A)
SAM  A 301 (-3.2A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.1A)
SAM  A 301 (-4.6A)
SAM  A 301 ( 3.4A)
 0.97A 4ctkC-5e9qA:
43.9		 4ctkC-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
 1.25A 4ctkC-5gvtA:
undetectable		 4ctkC-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.
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
 0.83A 4ctkC-5hxwA:
undetectable		 4ctkC-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
 0.87A 4ctkC-5i39A:
undetectable		 4ctkC-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) 		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 4ctkC-5ikmA:
42.6		 4ctkC-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) 		10 SER A  56
GLY A  58
GLY A  81
GLY A  83
GLY A  86
THR A 104
LYS A 105
GLU A 111
VAL A 132
ILE A 147
 SAM  A 311 ( 2.7A)
SAM  A 311 (-3.3A)
SAM  A 311 (-3.2A)
SAM  A 311 (-3.3A)
SAM  A 311 (-3.3A)
SAM  A 311 (-4.5A)
MLT  A 313 ( 3.0A)
None
SAM  A 311 (-3.7A)
SAM  A 311 ( 4.3A)
 0.66A 4ctkC-5ikmA:
42.6		 4ctkC-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 SER A  56
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
 SAM  A 311 ( 2.7A)
SAM  A 311 (-3.3A)
SAM  A 311 (-3.2A)
SAM  A 311 (-3.3A)
SAM  A 311 (-3.3A)
SAM  A 311 (-3.5A)
SAM  A 311 (-4.5A)
MLT  A 313 ( 3.0A)
SAM  A 311 (-3.7A)
SAM  A 311 (-3.8A)
SAM  A 311 ( 4.3A)
 0.44A 4ctkC-5ikmA:
42.6		 4ctkC-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
 0.78A 4ctkC-5jd8A:
undetectable		 4ctkC-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) 		11 SER A  56
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  A1003 (-2.7A)
SAH  A1003 (-3.2A)
SAH  A1003 (-3.4A)
SAH  A1003 (-3.5A)
SAH  A1003 (-3.0A)
SAH  A1003 (-3.4A)
SAH  A1003 (-4.6A)
SAH  A1003 (-4.8A)
SAH  A1003 (-3.7A)
SAH  A1003 (-3.8A)
SAH  A1003 ( 4.3A)
 0.33A 4ctkC-5jjrA:
44.0		 4ctkC-5jjrA:
99.63
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) 		6 SER A  56
GLY A  58
GLY A  83
GLY A  86
THR A 104
GLU A 111
 SAH  A1003 (-2.7A)
SAH  A1003 (-3.2A)
SAH  A1003 (-3.5A)
SAH  A1003 (-3.0A)
SAH  A1003 (-4.6A)
SAH  A1003 (-3.3A)
 0.94A 4ctkC-5jjrA:
44.0		 4ctkC-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.
5lnq 3-KETOACYL-COA
THIOLASE-LIKE
PROTEIN

(Leishmania
mexicana) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		6 GLY A 391
GLY A 427
GLY A 121
GLY A 126
THR A 432
LYS A 431
 None
CAA  A 501 (-3.1A)
None
None
None
None
 1.41A 4ctkC-5lnqA:
undetectable		 4ctkC-5lnqA:
20.13
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.
5nju GENOME POLYPROTEIN

(Zika virus) 		no annotation 11 SER A  56
GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
GLU A 111
VAL A 132
ASP A 146
ILE A 147
 SAH  A1001 (-2.6A)
SAH  A1001 (-3.3A)
SAH  A1001 (-3.4A)
SAH  A1001 (-3.4A)
SAH  A1001 (-3.3A)
SAH  A1001 (-3.5A)
SAH  A1001 (-4.4A)
None
SAH  A1001 (-3.6A)
SAH  A1001 (-3.7A)
SAH  A1001 (-4.2A)
 0.11A 4ctkC-5njuA:
40.3		 4ctkC-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 11 SER A  56
GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
LYS A 105
GLU A 111
VAL A 132
ASP A 146
 SAH  A1001 (-2.6A)
SAH  A1001 (-3.3A)
SAH  A1001 (-3.4A)
SAH  A1001 (-3.4A)
SAH  A1001 (-3.3A)
SAH  A1001 (-3.5A)
SAH  A1001 (-4.4A)
None
None
SAH  A1001 (-3.6A)
SAH  A1001 (-3.7A)
 0.54A 4ctkC-5njuA:
40.3		 4ctkC-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.
5oc1 ARYL-ALCOHOL OXIDASE

(Pleurotus
eryngii) 		no annotation 6 SER A  87
GLY A  81
GLY A 276
GLY A 273
TRP A  61
THR A 277
 FAD  A 602 (-2.8A)
None
FAD  A 602 ( 4.1A)
GOL  A 605 ( 3.0A)
FAD  A 602 (-4.0A)
None
 1.38A 4ctkC-5oc1A:
2.7		 4ctkC-5oc1A:
19.49
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.
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
 0.88A 4ctkC-5svcA:
undetectable		 4ctkC-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) 		11 SER A  56
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
 SAH  A1001 (-2.5A)
SAH  A1001 (-3.2A)
SAH  A1001 (-3.4A)
SAH  A1001 ( 3.8A)
SAH  A1001 (-3.6A)
SAH  A1001 (-3.5A)
SAH  A1001 ( 4.9A)
None
SAH  A1001 (-4.0A)
SAH  A1001 (-3.8A)
SAH  A1001 ( 4.8A)
 0.38A 4ctkC-5tmhA:
40.3		 4ctkC-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
 0.80A 4ctkC-5u4qA:
5.9		 4ctkC-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.
5vpu 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Acinetobacter
baumannii) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		6 SER A  53
GLY A  52
GLY A  18
GLY A 446
GLY A  65
GLU A 466
 ACT  A 611 (-4.8A)
None
None
None
None
None
 1.21A 4ctkC-5vpuA:
undetectable		 4ctkC-5vpuA:
20.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x4j UNCHARACTERIZED
PROTEIN

(Pyrococcus
furiosus) 		no annotation 6 SER A  88
GLY A  85
GLY A 445
GLY A 437
GLY A  87
GLU A 436
 None
None
CL  A 505 ( 3.7A)
None
None
None
 1.12A 4ctkC-5x4jA:
undetectable		 4ctkC-5x4jA:
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.
6b5f NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE

(Yersinia
enterocolitica) 		no annotation 6 SER A 154
GLY A 247
GLY A 172
GLY A 244
VAL A  98
ILE A  62
 None
 1.41A 4ctkC-6b5fA:
undetectable		 4ctkC-6b5fA:
21.95