SIMILAR PATTERNS OF AMINO ACIDS FOR 5WZ1_B_SAMB601

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.
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
 1.31A 5wz1B-1eltA:
undetectable		 5wz1B-1eltA:
19.66
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.
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
 0.87A 5wz1B-1ffvA:
undetectable		 5wz1B-1ffvA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1k4y LIVER
CARBOXYLESTERASE

(Oryctolagus
cuniculus) 		PF00135
(COesterase) 		5 GLY A 248
GLY A 143
GLY A 141
GLY A 224
ASP A  90
 None
 0.91A 5wz1B-1k4yA:
1.7		 5wz1B-1k4yA:
19.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 5wz1B-1l2qA:
0.0		 5wz1B-1l2qA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mza PRO-GRANZYME K

(Homo sapiens) 		PF00089
(Trypsin) 		5 GLY A  44
GLY A 142
GLY A 193
GLY A 196
ASP A 145
 None
 0.89A 5wz1B-1mzaA:
undetectable		 5wz1B-1mzaA:
18.37
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.
1nvm ACETALDEHYDE
DEHYDROGENASE
(ACYLATING)

(Pseudomonas sp.
CF600) 		PF01118
(Semialdhyde_dh)
PF09290
(AcetDehyd-dimer) 		6 GLY B 167
GLY B  16
GLY B  13
GLY B 165
THR B  17
ILE B   9
 NAD  B3501 (-3.5A)
None
NAD  B3501 (-3.4A)
NAD  B3501 (-3.6A)
None
None
 1.16A 5wz1B-1nvmB:
3.5		 5wz1B-1nvmB:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.34A 5wz1B-1op2A:
0.0		 5wz1B-1op2A:
18.88
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.
1p3c GLUTAMYL-ENDOPEPTIDA
SE

(Bacillus
intermedius) 		PF00089
(Trypsin) 		6 GLY A 184
GLY A  34
GLY A 172
THR A  33
VAL A  63
ILE A  42
 None
 1.48A 5wz1B-1p3cA:
undetectable		 5wz1B-1p3cA:
18.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qgd PROTEIN
(TRANSKETOLASE)

(Escherichia
coli) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		6 GLY A 209
GLY A 176
GLY A 171
TRP A 210
ASP A  58
ILE A 179
 None
 1.41A 5wz1B-1qgdA:
undetectable		 5wz1B-1qgdA:
16.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1r6a GENOME POLYPROTEIN

(Dengue virus) 		PF01728
(FtsJ) 		12 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
LYS A 105
HIS A 110
GLU A 111
ASP A 131
VAL A 132
ILE A 147
 SAH  A 887 (-3.0A)
SAH  A 887 (-3.6A)
SAH  A 887 (-3.6A)
SAH  A 887 (-3.3A)
SAH  A 887 (-3.5A)
SAH  A 887 (-4.5A)
SO4  A 902 (-2.7A)
SO4  A 901 ( 3.9A)
None
SAH  A 887 ( 3.3A)
SAH  A 887 (-3.5A)
SAH  A 887 ( 4.2A)
 0.87A 5wz1B-1r6aA:
39.9		 5wz1B-1r6aA:
58.70
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.
1tkc TRANSKETOLASE

(Saccharomyces
cerevisiae) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		6 GLY A 211
GLY A 178
GLY A 173
TRP A 212
ASP A  61
ILE A 181
 None
 1.32A 5wz1B-1tkcA:
undetectable		 5wz1B-1tkcA:
16.89
Potential target for repurposing, i.e. matched protein structure has less than 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
 0.83A 5wz1B-1vcwA:
undetectable		 5wz1B-1vcwA:
22.02
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.
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
 1.30A 5wz1B-2afbA:
2.8		 5wz1B-2afbA:
22.97
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.
2cy8 D-PHENYLGLYCINE
AMINOTRANSFERASE

(Pseudomonas
stutzeri) 		PF00202
(Aminotran_3) 		6 GLY A 278
GLY A 306
GLY A 120
HIS A  96
GLU A  99
ILE A 309
 None
 1.39A 5wz1B-2cy8A:
undetectable		 5wz1B-2cy8A:
20.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oxt NUCLEOSIDE-2'-O-METH
YLTRANSFERASE

(Meaban virus) 		PF01728
(FtsJ) 		9 GLY A  59
GLY A  82
GLY A  84
GLY A  87
TRP A  88
THR A 105
HIS A 111
GLU A 112
ASP A 132
 SAM  A 300 (-3.1A)
SAM  A 300 (-3.3A)
SAM  A 300 (-3.5A)
SAM  A 300 (-3.2A)
SAM  A 300 (-3.8A)
SAM  A 300 (-4.6A)
SAM  A 300 (-3.6A)
None
SAM  A 300 (-3.9A)
 0.53A 5wz1B-2oxtA:
39.4		 5wz1B-2oxtA:
50.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oy0 METHYLTRANSFERASE

(West Nile virus) 		PF01728
(FtsJ) 		11 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
LYS A 105
HIS A 110
ASP A 131
VAL A 132
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 (-4.4A)
SAH  A 301 (-3.2A)
SAH  A 301 (-3.8A)
SAH  A 301 ( 4.3A)
 0.54A 5wz1B-2oy0A:
40.1		 5wz1B-2oy0A:
68.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oy0 METHYLTRANSFERASE

(West Nile virus) 		PF01728
(FtsJ) 		11 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
LYS A 105
HIS A 110
GLU A 111
VAL A 132
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 (-4.4A)
SAH  A 301 (-3.5A)
SAH  A 301 (-3.8A)
SAH  A 301 ( 4.3A)
 0.69A 5wz1B-2oy0A:
40.1		 5wz1B-2oy0A:
68.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2px5 GENOME POLYPROTEIN
[CONTAINS: CAPSID
PROTEIN C (CORE
PROTEIN)
ENVELOPE PROTEIN M
(MATRIX PROTEIN)
MAJOR ENVELOPE
PROTEIN E
NON-STRUCTURAL
PROTEIN 1 (NS1)
NON-STRUCTURAL
PROTEIN 2A (NS2A)
FLAVIVIRIN PROTEASE
NS2B REGULATORY
SUBUNIT
FLAVIVIRIN PROTEASE
NS3 CATALYTIC
SUBUNIT
NON-STRUCTURAL
PROTEIN 4A (NS4A)
NON-STRUCTURAL
PROTEIN 4B (NS4B)
RNA-DIRECTED RNA
POLYMERASE (EC
2.7.7.48) (NS5)]

(Murray Valley
encephalitis
virus) 		PF01728
(FtsJ) 		8 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
GLU A 111
ASP A 131
 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)
 0.65A 5wz1B-2px5A:
41.7		 5wz1B-2px5A:
66.91
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
LYS A 105
HIS A 110
ASP A 131
VAL A 132
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 (-3.9A)
SAH  A 500 (-3.5A)
SAH  A 500 (-3.6A)
SAH  A 500 ( 4.3A)
 0.76A 5wz1B-2px5A:
41.7		 5wz1B-2px5A:
66.91
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.
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
 0.83A 5wz1B-2r3uA:
undetectable		 5wz1B-2r3uA:
22.02
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.
2vz9 FATTY ACID SYNTHASE

(Sus scrofa) 		PF00107
(ADH_zinc_N)
PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08242
(Methyltransf_12)
PF08659
(KR)
PF14765
(PS-DH)
PF16197
(KAsynt_C_assoc) 		5 GLY A1897
GLY A2064
GLY A2067
GLU A2071
ASP A2077
 None
None
NAP  A3002 (-3.3A)
None
None
 0.91A 5wz1B-2vz9A:
undetectable		 5wz1B-2vz9A:
7.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2wa2 NON-STRUCTURAL
PROTEIN 5

(Modoc virus) 		PF01728
(FtsJ) 		10 GLY A  59
GLY A  82
GLY A  84
TRP A  88
THR A 105
HIS A 111
GLU A 112
ASP A 132
VAL A 133
ILE A 148
 SAM  A1248 ( 3.7A)
SAM  A1248 (-3.3A)
SAM  A1248 (-3.4A)
SAM  A1248 (-3.7A)
SAM  A1248 (-4.5A)
SAM  A1248 (-3.8A)
None
SAM  A1248 (-3.6A)
SAM  A1248 (-3.4A)
SAM  A1248 ( 4.0A)
 0.48A 5wz1B-2wa2A:
32.9		 5wz1B-2wa2A:
52.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3elu METHYLTRANSFERASE

(Wesselsbron
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		10 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
HIS A 110
GLU A 111
VAL A 132
ILE A 147
 SAM  A4633 ( 3.7A)
SAM  A4633 (-3.2A)
SAM  A4633 (-3.4A)
SAM  A4633 (-3.4A)
SAM  A4633 (-3.5A)
SAM  A4633 (-4.5A)
SAM  A4633 (-3.6A)
None
SAM  A4633 (-3.4A)
SAM  A4633 ( 4.2A)
 0.71A 5wz1B-3eluA:
39.3		 5wz1B-3eluA:
53.69
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) 		8 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
GLU A 111
ASP A 131
 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)
 0.69A 5wz1B-3evcA:
41.4		 5wz1B-3evcA:
52.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3evc RNA-DIRECTED RNA
POLYMERASE NS5

(Yellow fever
virus) 		PF01728
(FtsJ) 		9 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
HIS A 110
ASP A 131
ILE A 147
 SAH  A 901 (-3.2A)
SAH  A 901 (-3.4A)
SAH  A 901 (-3.3A)
SAH  A 901 (-3.1A)
SAH  A 901 (-3.6A)
SAH  A 901 (-4.5A)
SAH  A 901 (-3.8A)
SAH  A 901 (-3.7A)
SAH  A 901 ( 4.2A)
 0.31A 5wz1B-3evcA:
41.4		 5wz1B-3evcA:
52.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f8r THIOREDOXIN
REDUCTASE (TRXB-3)

(Sulfolobus
solfataricus) 		PF07992
(Pyr_redox_2) 		5 GLY A 305
GLY A  22
GLY A  24
GLY A  29
ILE A 121
 None
NAP  A4005 (-3.1A)
NAP  A4005 (-3.3A)
None
NAP  A4005 (-3.8A)
 0.91A 5wz1B-3f8rA:
undetectable		 5wz1B-3f8rA:
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.
3g01 GRANZYME C

(Mus musculus) 		PF00089
(Trypsin) 		5 GLY A 149
GLY A  52
GLY A 206
GLY A 202
VAL A  60
 None
 0.78A 5wz1B-3g01A:
undetectable		 5wz1B-3g01A:
21.50
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
HIS A 110
ASP A 131
VAL A 132
ILE A 147
 SAM  A4633 (-3.5A)
SAM  A4633 (-3.4A)
SAM  A4633 (-3.4A)
SAM  A4633 (-3.2A)
SAM  A4633 (-3.6A)
SAM  A4633 (-4.5A)
SAM  A4633 (-3.5A)
SAM  A4633 (-3.7A)
SAM  A4633 (-3.6A)
SAM  A4633 ( 4.2A)
 0.43A 5wz1B-3gczA:
41.5		 5wz1B-3gczA:
54.42
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
HIS A 110
GLU A 111
VAL A 132
ILE A 147
 SAM  A4633 (-3.5A)
SAM  A4633 (-3.4A)
SAM  A4633 (-3.4A)
SAM  A4633 (-3.2A)
SAM  A4633 (-3.6A)
SAM  A4633 (-4.5A)
SAM  A4633 (-3.5A)
None
SAM  A4633 (-3.6A)
SAM  A4633 ( 4.2A)
 0.63A 5wz1B-3gczA:
41.5		 5wz1B-3gczA:
54.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3grh ACYL-COA THIOESTER
HYDROLASE YBGC

(Escherichia
coli) 		PF01095
(Pectinesterase) 		5 GLY A 221
GLY A 192
THR A 225
GLU A 253
ILE A 187
 None
 0.90A 5wz1B-3grhA:
undetectable		 5wz1B-3grhA:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gtt SUPEROXIDE DISMUTASE
[CU-ZN]

(Mus musculus) 		PF00080
(Sod_Cu) 		6 GLY A 108
HIS A 110
GLU A 109
ASP A 101
VAL A  29
ILE A 112
 None
 1.39A 5wz1B-3gttA:
undetectable		 5wz1B-3gttA:
20.68
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.
3h41 NLP/P60 FAMILY
PROTEIN

(Bacillus cereus) 		PF00877
(NLPC_P60) 		5 GLY A 235
GLY A 218
GLY A 233
THR A 217
ILE A 302
 None
 0.85A 5wz1B-3h41A:
undetectable		 5wz1B-3h41A:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i6d PROTOPORPHYRINOGEN
OXIDASE

(Bacillus
subtilis) 		PF01593
(Amino_oxidase) 		6 GLY A 399
GLY A 317
GLY A 321
GLU A 402
VAL A 314
ILE A 384
 None
 1.41A 5wz1B-3i6dA:
undetectable		 5wz1B-3i6dA:
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.
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
 0.77A 5wz1B-3lgiA:
undetectable		 5wz1B-3lgiA:
22.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lkz NON-STRUCTURAL
PROTEIN 5

(West Nile virus) 		PF01728
(FtsJ) 		11 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
LYS A 105
HIS A 110
ASP A 131
VAL A 132
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 (-3.9A)
SFG  A 301 (-3.1A)
SFG  A 301 (-4.1A)
SFG  A 301 (-4.1A)
 0.45A 5wz1B-3lkzA:
41.7		 5wz1B-3lkzA:
61.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lkz NON-STRUCTURAL
PROTEIN 5

(West Nile virus) 		PF01728
(FtsJ) 		11 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
LYS A 105
HIS A 110
GLU A 111
VAL A 132
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 (-3.9A)
SFG  A 301 (-3.7A)
SFG  A 301 (-4.1A)
SFG  A 301 (-4.1A)
 0.59A 5wz1B-3lkzA:
41.7		 5wz1B-3lkzA:
61.32
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.
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)
 0.76A 5wz1B-3nlcA:
undetectable		 5wz1B-3nlcA:
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.
3nvx PROTEIN A39

(Vaccinia virus) 		PF01403
(Sema) 		5 GLY A 101
GLY A  99
GLY A  78
ASP A 143
ILE A 125
 None
 0.91A 5wz1B-3nvxA:
undetectable		 5wz1B-3nvxA:
21.59
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.
3pea ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN

(Bacillus
anthracis) 		PF00378
(ECH_1) 		5 GLY A  62
GLY A  84
GLY A 110
THR A  87
HIS A  32
 None
 0.67A 5wz1B-3peaA:
undetectable		 5wz1B-3peaA:
22.93
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.
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
 0.87A 5wz1B-3pv2A:
undetectable		 5wz1B-3pv2A:
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.
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
 0.87A 5wz1B-3pv4A:
undetectable		 5wz1B-3pv4A:
25.14
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.
3r8e HYPOTHETICAL SUGAR
KINASE

(Cytophaga
hutchinsonii) 		PF00480
(ROK) 		5 GLY A 115
GLY A  62
GLY A 290
GLU A 106
ILE A 298
 None
 0.79A 5wz1B-3r8eA:
undetectable		 5wz1B-3r8eA:
22.86
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.
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
 1.33A 5wz1B-3s69A:
undetectable		 5wz1B-3s69A:
20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 5wz1B-3ugkA:
undetectable		 5wz1B-3ugkA:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vm7 ALPHA-AMYLASE

(Malbranchea
cinnamomea) 		PF00128
(Alpha-amylase)
PF09260
(DUF1966) 		5 GLY A 442
GLY A 464
GLY A 446
THR A 441
ASP A 404
 None
 0.91A 5wz1B-3vm7A:
undetectable		 5wz1B-3vm7A:
19.44
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.
3w9h ACRIFLAVINE
RESISTANCE PROTEIN B

(Escherichia
coli) 		PF00873
(ACR_tran) 		5 GLY A 290
GLY A 288
GLY A 179
ASP A 328
ILE A 291
 None
 0.87A 5wz1B-3w9hA:
undetectable		 5wz1B-3w9hA:
12.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wmy EXTRACELLULAR
EXO-ALPHA-L-ARABINOF
URANOSIDASE

(Streptomyces
coelicolor) 		PF03664
(Glyco_hydro_62) 		6 GLY A 382
GLY A 385
HIS A 427
GLU A 361
ASP A 429
ILE A 377
 None
None
CA  A 501 ( 3.6A)
TRS  A 503 (-2.9A)
None
None
 1.44A 5wz1B-3wmyA:
undetectable		 5wz1B-3wmyA:
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.
4a9w MONOOXYGENASE

(Stenotrophomonas
maltophilia) 		PF13738
(Pyr_redox_3) 		5 GLY A  11
GLY A 321
GLY A 129
GLY A  10
ASP A 324
 FAD  A1353 ( 4.7A)
FAD  A1353 ( 4.5A)
FAD  A1353 (-3.6A)
FAD  A1353 (-3.0A)
SO4  A1359 (-3.6A)
 0.86A 5wz1B-4a9wA:
undetectable		 5wz1B-4a9wA:
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.
4acz ENDO-ALPHA-MANNOSIDA
SE

(Bacteroides
thetaiotaomicron) 		PF16317
(Glyco_hydro_99) 		5 GLY B 282
GLY B 333
GLY B 284
HIS B 331
GLU B 332
 None
 0.86A 5wz1B-4aczB:
undetectable		 5wz1B-4aczB:
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.
4c7v TRANSKETOLASE

(Lactobacillus
salivarius) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		6 GLY A 212
GLY A 179
GLY A 174
TRP A 213
ASP A  61
ILE A 182
 None
 1.38A 5wz1B-4c7vA:
undetectable		 5wz1B-4c7vA:
19.18
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.
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
 0.73A 5wz1B-4cjxA:
undetectable		 5wz1B-4cjxA:
22.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.81A 5wz1B-4gc5A:
8.2		 5wz1B-4gc5A:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hac MEVALONATE KINASE

(Methanosarcina
mazei) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 GLY A  91
GLY A 263
GLY A  89
THR A 168
VAL A 281
 None
 0.88A 5wz1B-4hacA:
undetectable		 5wz1B-4hacA:
25.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ikh GLUTATHIONE
S-TRANSFERASE

(Pseudomonas
protegens) 		PF00043
(GST_C)
PF02798
(GST_N) 		5 GLY A 134
GLY A 131
ASP A 165
VAL A 211
ILE A 205
 None
GSH  A 303 (-3.3A)
None
None
None
 0.87A 5wz1B-4ikhA:
undetectable		 5wz1B-4ikhA:
22.37
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.
4k6m POLYPROTEIN

(Japanese
encephalitis
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		9 GLY A  58
GLY A  81
GLY A  83
GLY A  86
THR A 104
HIS A 110
ASP A 131
VAL A 132
ILE A 147
 SAH  A1001 (-3.1A)
SAH  A1001 (-3.3A)
SAH  A1001 ( 3.7A)
SAH  A1001 (-3.2A)
SAH  A1001 (-4.7A)
SAH  A1001 ( 3.6A)
SAH  A1001 (-3.7A)
SAH  A1001 (-3.7A)
SAH  A1001 ( 4.3A)
 0.39A 5wz1B-4k6mA:
41.3		 5wz1B-4k6mA:
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.
4k6m POLYPROTEIN

(Japanese
encephalitis
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		9 GLY A  58
GLY A  81
GLY A  83
GLY A  86
THR A 104
HIS A 110
GLU A 111
ASP A 131
VAL A 132
 SAH  A1001 (-3.1A)
SAH  A1001 (-3.3A)
SAH  A1001 ( 3.7A)
SAH  A1001 (-3.2A)
SAH  A1001 (-4.7A)
SAH  A1001 ( 3.6A)
SO4  A1011 (-4.9A)
SAH  A1001 (-3.7A)
SAH  A1001 (-3.7A)
 0.69A 5wz1B-4k6mA:
41.3		 5wz1B-4k6mA:
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.
4k6m POLYPROTEIN

(Japanese
encephalitis
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		9 GLY A  58
GLY A  81
GLY A  83
GLY A  86
THR A 104
LYS A 105
ASP A 131
VAL A 132
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 ( 4.3A)
 0.58A 5wz1B-4k6mA:
41.3		 5wz1B-4k6mA:
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.
4k6m POLYPROTEIN

(Japanese
encephalitis
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		9 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
HIS A 110
VAL A 132
ILE A 147
 SAH  A1001 (-3.1A)
SAH  A1001 (-3.3A)
SAH  A1001 ( 3.7A)
SAH  A1001 (-3.2A)
SAH  A1001 (-3.9A)
SAH  A1001 (-4.7A)
SAH  A1001 ( 3.6A)
SAH  A1001 (-3.7A)
SAH  A1001 ( 4.3A)
 0.60A 5wz1B-4k6mA:
41.3		 5wz1B-4k6mA:
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.
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 5wz1B-4lrsB:
4.0		 5wz1B-4lrsB:
22.32
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.
4q0m L-ASPARAGINASE

(Pyrococcus
furiosus) 		PF00710
(Asparaginase) 		5 GLY A 288
GLY A 231
GLY A 235
GLY A 267
ILE A 229
 None
 0.89A 5wz1B-4q0mA:
undetectable		 5wz1B-4q0mA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ra6 L-ASPARAGINASE

(Pyrococcus
furiosus) 		no annotation 5 GLY B 288
GLY B 231
GLY B 235
GLY B 267
ILE B 229
 None
 0.83A 5wz1B-4ra6B:
undetectable		 5wz1B-4ra6B:
22.70
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.
4rhe 3-OCTAPRENYL-4-HYDRO
XYBENZOATE
CARBOXY-LYASE

(Colwellia
psychrerythraea) 		PF02441
(Flavoprotein) 		5 GLY A  44
GLY A  18
GLY A  15
ASP A 182
VAL A 185
 None
None
FMN  A 301 (-3.5A)
None
None
 0.87A 5wz1B-4rheA:
3.6		 5wz1B-4rheA:
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.
4usr MONOOXYGENASE

(Pseudomonas
stutzeri) 		PF13738
(Pyr_redox_3) 		5 GLY A  12
GLY A 320
GLY A 130
GLY A  11
ASP A 323
 FAD  A1355 (-4.5A)
FAD  A1355 (-4.4A)
FAD  A1355 (-3.3A)
FAD  A1355 (-3.3A)
None
 0.91A 5wz1B-4usrA:
undetectable		 5wz1B-4usrA:
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.
4utf GLYCOSYL HYDROLASE
FAMILY 71

(Bacteroides
xylanisolvens) 		PF16317
(Glyco_hydro_99) 		5 GLY A 286
GLY A 337
GLY A 288
HIS A 335
GLU A 336
 None
None
None
MAN  A 500 (-4.5A)
IFM  A 501 ( 2.8A)
 0.85A 5wz1B-4utfA:
undetectable		 5wz1B-4utfA:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uzj NOTUM

(Drosophila
melanogaster) 		PF03283
(PAE) 		5 GLY A 242
GLY A 271
GLY A 239
ASP A 345
VAL A 344
 None
 0.90A 5wz1B-4uzjA:
undetectable		 5wz1B-4uzjA:
20.53
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.
4xcq TUBZ

(Clostridium
phage c-st) 		PF00091
(Tubulin) 		5 GLY A  57
GLY A 101
GLY A  59
THR A  95
ILE A  10
 None
GDP  A 401 (-3.3A)
None
GDP  A 401 (-3.0A)
None
 0.91A 5wz1B-4xcqA:
2.7		 5wz1B-4xcqA:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.79A 5wz1B-4ynnA:
undetectable		 5wz1B-4ynnA:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.84A 5wz1B-4yo1A:
undetectable		 5wz1B-4yo1A:
25.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z0c TOLL-LIKE RECEPTOR
13

(Mus musculus) 		PF00560
(LRR_1)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 GLY A 652
GLY A 606
GLY A 602
GLY A 627
LYS A 575
 G  B   8 ( 4.6A)
None
None
None
None
 0.92A 5wz1B-4z0cA:
undetectable		 5wz1B-4z0cA:
15.50
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.
5ccx TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRMT61A

(Homo sapiens) 		PF08704
(GCD14) 		5 GLY A 111
GLY A 113
ASP A 163
VAL A 164
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 ( 3.8A)
 0.74A 5wz1B-5ccxA:
8.6		 5wz1B-5ccxA:
22.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ccx TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRMT61A

(Homo sapiens) 		PF08704
(GCD14) 		5 GLY A 111
GLY A 115
ASP A 163
VAL A 164
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 ( 3.8A)
 0.87A 5wz1B-5ccxA:
8.6		 5wz1B-5ccxA:
22.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e9q GENOME POLYPROTEIN

(Dengue virus) 		PF01728
(FtsJ) 		11 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
LYS A 105
HIS A 110
ASP A 131
VAL A 132
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 ( 3.7A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.6A)
SAM  A 301 ( 4.2A)
 0.35A 5wz1B-5e9qA:
41.6		 5wz1B-5e9qA:
65.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e9q GENOME POLYPROTEIN

(Dengue virus) 		PF01728
(FtsJ) 		11 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
LYS A 105
HIS A 110
GLU A 111
ASP A 131
VAL A 132
 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 ( 3.7A)
SAM  A 301 ( 3.4A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.6A)
 0.64A 5wz1B-5e9qA:
41.6		 5wz1B-5e9qA:
65.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e9q GENOME POLYPROTEIN

(Dengue virus) 		PF01728
(FtsJ) 		6 GLY A  86
TRP A  87
LYS A 105
HIS A 110
ASP A 131
ILE A 147
 SAM  A 301 (-3.1A)
SAM  A 301 (-3.6A)
None
SAM  A 301 ( 3.7A)
SAM  A 301 (-3.4A)
SAM  A 301 ( 4.2A)
 1.45A 5wz1B-5e9qA:
41.6		 5wz1B-5e9qA:
65.25
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.
5en4 17-BETA-HYDROXYSTERO
ID DEHYDROGENASE 14

(Homo sapiens) 		PF13561
(adh_short_C2) 		5 GLY A  16
GLY A  18
GLY A  24
ASP A  62
VAL A  63
 NAD  A 301 (-3.2A)
NAD  A 301 ( 4.2A)
None
NAD  A 301 (-3.4A)
NAD  A 301 (-3.7A)
 0.86A 5wz1B-5en4A:
5.3		 5wz1B-5en4A:
22.65
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.
5ghf AMINOTRANSFERASE
CLASS-III

(Ochrobactrum
anthropi) 		PF00202
(Aminotran_3) 		5 GLY A 272
GLY A 263
GLU A 225
VAL A 125
ILE A 256
 None
None
PMP  A 501 (-3.9A)
None
None
 0.92A 5wz1B-5ghfA:
undetectable		 5wz1B-5ghfA:
18.97
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.
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
 0.92A 5wz1B-5gndA:
undetectable		 5wz1B-5gndA:
19.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.33A 5wz1B-5gvtA:
undetectable		 5wz1B-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
 0.81A 5wz1B-5hxwA:
undetectable		 5wz1B-5hxwA:
20.93
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.
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
 0.85A 5wz1B-5i39A:
undetectable		 5wz1B-5i39A:
24.29
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.
5i51 TRANSKETOLASE

(Scheffersomyces
stipitis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		6 GLY A 209
GLY A 176
GLY A 171
TRP A 210
ASP A  58
ILE A 179
 None
 1.39A 5wz1B-5i51A:
undetectable		 5wz1B-5i51A:
17.96
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) 		12 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
LYS A 105
HIS A 110
GLU A 111
ASP A 131
VAL A 132
ILE A 147
 SAM  A 311 (-3.3A)
SAM  A 311 (-3.2A)
SAM  A 311 (-3.3A)
SAM  A 311 (-3.3A)
SAM  A 311 (-3.5A)
SAM  A 311 (-4.5A)
MLT  A 313 ( 3.0A)
SAM  A 311 (-4.1A)
None
MLT  A 313 ( 2.6A)
SAM  A 311 (-3.7A)
SAM  A 311 ( 4.3A)
 0.70A 5wz1B-5ikmA:
40.9		 5wz1B-5ikmA:
60.73
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
 0.75A 5wz1B-5jd8A:
undetectable		 5wz1B-5jd8A:
19.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jjr GENOME POLYPROTEIN

(Dengue virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		11 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
LYS A 105
HIS A 110
ASP A 131
VAL A 132
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 (-3.7A)
SAH  A1003 (-3.0A)
SAH  A1003 (-3.7A)
SAH  A1003 ( 4.3A)
 0.49A 5wz1B-5jjrA:
41.1		 5wz1B-5jjrA:
63.04
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) 		10 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
LYS A 105
HIS A 110
GLU A 111
VAL A 132
 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 (-3.3A)
SAH  A1003 (-3.7A)
 0.70A 5wz1B-5jjrA:
41.1		 5wz1B-5jjrA:
63.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.82A 5wz1B-5jy1A:
5.1		 5wz1B-5jy1A:
22.93
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.
5k6o B-GLUCOSIDASE

(metagenome) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		6 GLY A 207
GLY A  74
GLY A 210
GLU A  73
VAL A  42
ILE A  44
 None
 1.07A 5wz1B-5k6oA:
undetectable		 5wz1B-5k6oA:
14.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.50A 5wz1B-5kpgA:
7.9		 5wz1B-5kpgA:
22.72
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.
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
 1.43A 5wz1B-5lnqA:
undetectable		 5wz1B-5lnqA:
20.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m41 NIGRITOXINE

(Vibrio
nigripulchritudo) 		no annotation 6 GLY A 612
GLY A 623
TRP A 628
THR A 615
VAL A 684
ILE A 610
 None
 1.46A 5wz1B-5m41A:
undetectable		 5wz1B-5m41A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nd5 TRANSKETOLASE

(Chlamydomonas
reinhardtii) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		6 GLY A 262
GLY A 229
GLY A 224
TRP A 263
ASP A 109
ILE A 232
 None
 1.40A 5wz1B-5nd5A:
undetectable		 5wz1B-5nd5A:
18.30
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.
5nju GENOME POLYPROTEIN

(Zika virus) 		no annotation 10 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
HIS A 110
ASP A 131
VAL A 132
ILE A 147
 SAH  A1001 (-3.3A)
SAH  A1001 (-3.4A)
SAH  A1001 (-3.4A)
SAH  A1001 (-3.3A)
SAH  A1001 (-3.5A)
SAH  A1001 (-4.4A)
SAH  A1001 (-4.0A)
SAH  A1001 (-3.9A)
SAH  A1001 (-3.6A)
SAH  A1001 (-4.2A)
 0.45A 5wz1B-5njuA:
42.9		 5wz1B-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 10 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
HIS A 110
GLU A 111
VAL A 132
ILE A 147
 SAH  A1001 (-3.3A)
SAH  A1001 (-3.4A)
SAH  A1001 (-3.4A)
SAH  A1001 (-3.3A)
SAH  A1001 (-3.5A)
SAH  A1001 (-4.4A)
SAH  A1001 (-4.0A)
None
SAH  A1001 (-3.6A)
SAH  A1001 (-4.2A)
 0.59A 5wz1B-5njuA:
42.9		 5wz1B-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 10 GLY A  58
GLY A  81
GLY A  83
GLY A  86
TRP A  87
THR A 104
LYS A 105
ASP A 131
VAL A 132
ILE A 147
 SAH  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 (-4.2A)
 0.56A 5wz1B-5njuA:
42.9		 5wz1B-5njuA:
undetectable
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
HIS A 110
ASP A 131
VAL A 132
ILE A 147
 SAH  A1001 (-3.2A)
SAH  A1001 (-3.4A)
SAH  A1001 ( 3.8A)
SAH  A1001 (-3.6A)
SAH  A1001 (-3.5A)
SAH  A1001 ( 4.9A)
SAH  A1001 (-3.6A)
SAH  A1001 (-4.0A)
SAH  A1001 (-4.0A)
SAH  A1001 ( 4.8A)
 0.34A 5wz1B-5tmhA:
42.8		 5wz1B-5tmhA:
94.93
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) 		8 GLY A  58
GLY A  83
GLY A  86
TRP A  87
HIS A 110
GLU A 111
ASP A 131
VAL A 132
 SAH  A1001 (-3.2A)
SAH  A1001 ( 3.8A)
SAH  A1001 (-3.6A)
SAH  A1001 (-3.5A)
SAH  A1001 (-3.6A)
None
SAH  A1001 (-4.0A)
SAH  A1001 (-4.0A)
 0.75A 5wz1B-5tmhA:
42.8		 5wz1B-5tmhA:
94.93
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.
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
 0.84A 5wz1B-5u4qA:
5.9		 5wz1B-5u4qA:
20.22
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.
5ubj ALPHA-L-ARABINOFURAN
OSIDASE AXHA-2

(Aspergillus
nidulans) 		PF03664
(Glyco_hydro_62) 		6 GLY A 233
GLY A 236
HIS A 278
GLU A 210
ASP A 280
ILE A 228
 None
None
CA  A 401 (-3.7A)
CA  A 403 ( 4.2A)
None
None
 1.45A 5wz1B-5ubjA:
undetectable		 5wz1B-5ubjA:
22.54
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.
6bqc CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE

(Escherichia
coli) 		no annotation 6 GLY A 175
GLY A 177
GLY A 180
THR A 197
ASP A 221
ILE A 174
 None
 1.34A 5wz1B-6bqcA:
8.6		 5wz1B-6bqcA:
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.
6fik POLYKETIDE SYNTHASE

(Cercospora
nicotianae) 		no annotation 5 GLY A 732
GLY A 440
GLY A 617
GLU A 414
VAL A 427
 None
 0.83A 5wz1B-6fikA:
undetectable		 5wz1B-6fikA:
undetectable