SIMILAR PATTERNS OF AMINO ACIDS FOR 1VHW_A_ADNA252_1

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.
1dab P.69 PERTACTIN

(Bordetella
pertussis) 		PF03212
(Pertactin) 		5 ARG A  74
GLY A 128
VAL A 129
GLU A 132
ILE A 144
 None
 1.04A 1vhwA-1dabA:
undetectable
1vhwD-1dabA:
undetectable		 1vhwA-1dabA:
17.96
1vhwD-1dabA:
17.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jdz 5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE

(Sulfolobus
solfataricus) 		PF01048
(PNP_UDP_1) 		6 ARG A  86
GLY A  91
VAL A 179
GLU A 180
MET A 181
GLU A 182
 SO4  A 250 ( 3.1A)
FMB  A 270 (-3.3A)
FMB  A 270 (-4.6A)
FMB  A 270 (-4.6A)
FMB  A 270 (-3.8A)
FMB  A 270 (-2.8A)
 0.71A 1vhwA-1jdzA:
33.8
1vhwD-1jdzA:
33.9		 1vhwA-1jdzA:
29.92
1vhwD-1jdzA:
29.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mcw IMMUNOGLOBULIN WEIR
(LIGHT CHAIN)

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 GLY W  12
VAL W 107
GLU W  85
ILE W  18
HIS W 201
 None
 1.35A 1vhwA-1mcwW:
undetectable
1vhwD-1mcwW:
undetectable		 1vhwA-1mcwW:
22.88
1vhwD-1mcwW:
22.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1odi PURINE NUCLEOSIDE
PHOSPHORYLASE

(Thermus
thermophilus) 		PF01048
(PNP_UDP_1) 		7 MET A  65
ARG A  87
GLY A  92
GLU A 179
MET A 180
GLU A 181
ILE A 206
 ADN  A1237 (-4.1A)
SO4  A1236 ( 2.8A)
ADN  A1237 (-3.4A)
ADN  A1237 (-4.9A)
ADN  A1237 (-3.7A)
ADN  A1237 (-3.0A)
ADN  A1237 (-4.4A)
 0.48A 1vhwA-1odiA:
36.1
1vhwD-1odiA:
36.1		 1vhwA-1odiA:
33.88
1vhwD-1odiA:
33.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pk9 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Escherichia
coli) 		PF01048
(PNP_UDP_1) 		6 ARG A  87
GLY A 177
VAL A 178
GLU A 179
MET A 180
GLU A 181
 PO4  A 309 ( 2.8A)
None
2FA  A 306 (-4.8A)
2FA  A 306 (-4.7A)
2FA  A 306 (-3.8A)
2FA  A 306 (-2.9A)
 1.35A 1vhwA-1pk9A:
42.3
1vhwD-1pk9A:
42.6		 1vhwA-1pk9A:
79.75
1vhwD-1pk9A:
79.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pk9 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Escherichia
coli) 		PF01048
(PNP_UDP_1) 		9 MET A  64
ARG A  87
SER A  90
GLY A  92
VAL A 178
GLU A 179
MET A 180
GLU A 181
ILE A 206
 2FA  A 306 (-3.6A)
PO4  A 309 ( 2.8A)
PO4  A 309 ( 2.7A)
2FA  A 306 (-3.5A)
2FA  A 306 (-4.8A)
2FA  A 306 (-4.7A)
2FA  A 306 (-3.8A)
2FA  A 306 (-2.9A)
None
 0.33A 1vhwA-1pk9A:
42.3
1vhwD-1pk9A:
42.6		 1vhwA-1pk9A:
79.75
1vhwD-1pk9A:
79.75
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.
1t3q QUINOLINE
2-OXIDOREDUCTASE
MEDIUM SUBUNIT
QUINOLINE
2-OXIDOREDUCTASE
SMALL SUBUNIT

(Pseudomonas
putida) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01799
(Fer2_2)
PF03450
(CO_deh_flav_C) 		5 SER A 138
VAL A 133
GLU A 135
ILE A 154
ARG C 106
 None
 1.35A 1vhwA-1t3qA:
undetectable
1vhwD-1t3qA:
undetectable		 1vhwA-1t3qA:
24.51
1vhwD-1t3qA:
24.51
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.
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 1

(Streptomyces
coelicolor) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A   9
VAL A  10
GLU A  83
ILE A   7
HIS A 365
 None
 1.24A 1vhwA-1tqyA:
undetectable
1vhwD-1tqyA:
undetectable		 1vhwA-1tqyA:
20.84
1vhwD-1tqyA:
20.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u59 TYROSINE-PROTEIN
KINASE ZAP-70

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ARG A 594
GLY A 448
GLU A 590
ILE A 477
HIS A 611
 None
 1.46A 1vhwA-1u59A:
undetectable
1vhwD-1u59A:
undetectable		 1vhwA-1u59A:
23.18
1vhwD-1u59A:
23.18
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.
1v5x PHOSPHORIBOSYLANTHRA
NILATE ISOMERASE

(Thermus
thermophilus) 		PF00697
(PRAI) 		5 ARG A  34
SER A 130
GLY A 154
ILE A 155
HIS A  82
 None
 1.36A 1vhwA-1v5xA:
undetectable
1vhwD-1v5xA:
undetectable		 1vhwA-1v5xA:
20.08
1vhwD-1v5xA:
20.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1z34 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Trichomonas
vaginalis) 		PF01048
(PNP_UDP_1) 		8 MET A  64
ARG A  87
GLY A  92
VAL A 178
GLU A 179
MET A 180
GLU A 181
ILE A 206
 2FD  A 300 (-3.8A)
2FD  A 300 ( 4.5A)
2FD  A 300 (-3.1A)
2FD  A 300 (-4.7A)
None
2FD  A 300 (-3.7A)
2FD  A 300 (-2.8A)
None
 0.34A 1vhwA-1z34A:
39.7
1vhwD-1z34A:
39.8		 1vhwA-1z34A:
54.36
1vhwD-1z34A:
54.36
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.
1zk7 MERCURIC REDUCTASE

(Pseudomonas
aeruginosa) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 SER A 359
GLY A 406
VAL A 356
GLU A 214
ILE A 425
 None
 1.26A 1vhwA-1zk7A:
undetectable
1vhwD-1zk7A:
undetectable		 1vhwA-1zk7A:
19.49
1vhwD-1zk7A:
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.
1zos 5'-METHYLTHIOADENOSI
NE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE

(Streptococcus
pneumoniae) 		PF01048
(PNP_UDP_1) 		6 SER A  76
GLY A  78
VAL A 171
GLU A 172
MET A 173
GLU A 174
 MTM  A 301 (-3.1A)
MTM  A 301 (-3.6A)
None
None
MTM  A 301 (-3.5A)
MTM  A 301 (-2.6A)
 0.56A 1vhwA-1zosA:
23.0
1vhwD-1zosA:
22.9		 1vhwA-1zosA:
24.81
1vhwD-1zosA:
24.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bsx PURINE NUCLEOSIDE
PHOSPHORYLASE

(Plasmodium
falciparum) 		PF01048
(PNP_UDP_1) 		7 ARG A  88
SER A  91
GLY A  93
VAL A 181
GLU A 182
MET A 183
GLU A 184
 NOS  A1248 ( 4.5A)
NOS  A1248 (-2.9A)
NOS  A1248 (-4.0A)
NOS  A1248 ( 4.4A)
None
NOS  A1248 (-3.4A)
NOS  A1248 (-3.1A)
 0.64A 1vhwA-2bsxA:
32.4
1vhwD-2bsxA:
32.5		 1vhwA-2bsxA:
29.17
1vhwD-2bsxA:
29.17
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.
2gjn HYPOTHETICAL PROTEIN
PA1024

(Pseudomonas
aeruginosa) 		PF03060
(NMO) 		5 ARG A 172
GLY A 138
VAL A 139
GLU A 135
ILE A 111
 None
 1.41A 1vhwA-2gjnA:
undetectable
1vhwD-2gjnA:
undetectable		 1vhwA-2gjnA:
22.26
1vhwD-2gjnA:
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.
2glf PROBABLE M18-FAMILY
AMINOPEPTIDASE 1

(Thermotoga
maritima) 		PF02127
(Peptidase_M18) 		5 GLY A 246
VAL A 238
GLU A 237
GLU A  19
ILE A 432
 None
 1.09A 1vhwA-2glfA:
6.3
1vhwD-2glfA:
6.1		 1vhwA-2glfA:
22.25
1vhwD-2glfA:
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.
2ovj RAC
GTPASE-ACTIVATING
PROTEIN 1

(Homo sapiens) 		PF00620
(RhoGAP) 		5 MET A 491
GLY A 501
VAL A 528
GLU A 529
ILE A 504
 None
 1.23A 1vhwA-2ovjA:
undetectable
1vhwD-2ovjA:
undetectable		 1vhwA-2ovjA:
22.52
1vhwD-2ovjA:
22.52
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.
2vdc GLUTAMATE SYNTHASE
[NADPH] LARGE CHAIN

(Azospirillum
brasilense) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		5 ARG A 351
GLY A 366
VAL A   3
GLU A 978
HIS A  30
 None
None
None
OMT  A2473 ( 4.9A)
None
 1.43A 1vhwA-2vdcA:
undetectable
1vhwD-2vdcA:
undetectable		 1vhwA-2vdcA:
10.85
1vhwD-2vdcA:
10.85
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.
2vsq SURFACTIN SYNTHETASE
SUBUNIT 3

(Bacillus
subtilis) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		5 MET A 571
GLY A 530
GLU A 526
GLU A 570
ILE A 531
 None
 1.42A 1vhwA-2vsqA:
undetectable
1vhwD-2vsqA:
undetectable		 1vhwA-2vsqA:
11.48
1vhwD-2vsqA:
11.48
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.
2xvg ALPHA XYLOSIDASE

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		5 ARG A 176
GLY A 151
GLU A 148
GLU A 392
ILE A 403
 None
 1.38A 1vhwA-2xvgA:
undetectable
1vhwD-2xvgA:
undetectable		 1vhwA-2xvgA:
12.75
1vhwD-2xvgA:
12.75
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.
2zyz PUTATIVE
UNCHARACTERIZED
PROTEIN PAE0789

(Pyrobaculum
aerophilum) 		no annotation 5 SER A  63
GLY A  59
VAL A  66
GLU A  34
ILE A  56
 None
 1.18A 1vhwA-2zyzA:
undetectable
1vhwD-2zyzA:
undetectable		 1vhwA-2zyzA:
17.77
1vhwD-2zyzA:
17.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bje NUCLEOSIDE
PHOSPHORYLASE,
PUTATIVE

(Trypanosoma
brucei) 		PF01048
(PNP_UDP_1) 		6 MET A  87
ARG A 137
GLY A 142
GLU A 284
MET A 285
GLU A 286
 R1P  A 401 ( 3.9A)
R1P  A 401 (-3.0A)
URA  A 501 (-3.4A)
R1P  A 401 ( 4.6A)
R1P  A 401 ( 3.9A)
R1P  A 401 (-2.6A)
 0.34A 1vhwA-3bjeA:
29.5
1vhwD-3bjeA:
29.5		 1vhwA-3bjeA:
24.44
1vhwD-3bjeA:
24.44
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.
3bl6 5'-METHYLTHIOADENOSI
NE
NUCLEOSIDASE/S-ADENO
SYLHOMOCYSTEINE
NUCLEOSIDASE

(Staphylococcus
aureus) 		PF01048
(PNP_UDP_1) 		6 SER A  75
GLY A  77
VAL A 170
GLU A 171
MET A 172
GLU A 173
 FMC  A 229 (-3.0A)
FMC  A 229 (-3.6A)
FMC  A 229 ( 4.7A)
FMC  A 229 (-4.7A)
FMC  A 229 (-3.5A)
FMC  A 229 (-2.5A)
 0.41A 1vhwA-3bl6A:
24.9
1vhwD-3bl6A:
24.8		 1vhwA-3bl6A:
25.38
1vhwD-3bl6A:
25.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c0k UPF0064 PROTEIN YCCW

(Escherichia
coli) 		PF10672
(Methyltrans_SAM) 		5 ARG A 212
GLY A 203
VAL A 194
GLU A 187
ILE A 196
 None
 0.99A 1vhwA-3c0kA:
undetectable
1vhwD-3c0kA:
undetectable		 1vhwA-3c0kA:
21.62
1vhwD-3c0kA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dp9 MTA/SAH NUCLEOSIDASE

(Vibrio cholerae) 		PF01048
(PNP_UDP_1) 		6 SER A  76
GLY A  78
VAL A 172
GLU A 173
MET A 174
GLU A 175
 BIG  A 301 (-3.3A)
BIG  A 301 (-3.7A)
BIG  A 301 (-4.9A)
None
BIG  A 301 (-3.6A)
BIG  A 301 (-2.8A)
 0.44A 1vhwA-3dp9A:
24.4
1vhwD-3dp9A:
24.3		 1vhwA-3dp9A:
24.42
1vhwD-3dp9A:
24.42
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.
3dr8 YNCA

(Salmonella
enterica) 		PF13420
(Acetyltransf_4) 		5 GLY A  64
VAL A  62
GLU A  57
ILE A  17
ARG A 103
 None
 1.37A 1vhwA-3dr8A:
undetectable
1vhwD-3dr8A:
undetectable		 1vhwA-3dr8A:
20.82
1vhwD-3dr8A:
20.82
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.
3eei 5-METHYLTHIOADENOSIN
E
NUCLEOSIDASE/S-ADENO
SYLHOMOCYSTEINE
NUCLEOSIDASE

(Neisseria
meningitidis) 		PF01048
(PNP_UDP_1) 		6 SER A  79
GLY A  81
VAL A 175
GLU A 176
MET A 177
GLU A 178
 MTM  A 234 (-3.1A)
MTM  A 234 (-3.9A)
MTM  A 234 ( 4.9A)
MTM  A 234 (-4.6A)
MTM  A 234 (-3.8A)
MTM  A 234 (-2.6A)
 0.44A 1vhwA-3eeiA:
24.4
1vhwD-3eeiA:
24.2		 1vhwA-3eeiA:
25.19
1vhwD-3eeiA:
25.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3emv URIDINE
PHOSPHORYLASE,
PUTATIVE

(Plasmodium
vivax) 		PF01048
(PNP_UDP_1) 		7 ARG A  89
SER A  92
GLY A  94
VAL A 182
GLU A 183
MET A 184
GLU A 185
 SO4  A 254 (-3.2A)
SO4  A 254 (-3.2A)
None
None
None
None
None
 0.35A 1vhwA-3emvA:
33.0
1vhwD-3emvA:
33.0		 1vhwA-3emvA:
30.08
1vhwD-3emvA:
30.08
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.
3euf URIDINE
PHOSPHORYLASE 1

(Homo sapiens) 		PF01048
(PNP_UDP_1) 		6 MET A 110
ARG A 138
GLY A 143
GLU A 248
MET A 249
GLU A 250
 BAU  A 400 (-3.5A)
PO4  A 401 (-3.0A)
BAU  A 400 (-3.3A)
None
BAU  A 400 (-3.8A)
PO4  A 401 ( 4.2A)
 0.39A 1vhwA-3eufA:
25.0
1vhwD-3eufA:
25.1		 1vhwA-3eufA:
26.27
1vhwD-3eufA:
26.27
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.
3k96 GLYCEROL-3-PHOSPHATE
DEHYDROGENASE
[NAD(P)+]

(Coxiella
burnetii) 		PF01210
(NAD_Gly3P_dh_N)
PF07479
(NAD_Gly3P_dh_C) 		5 GLY A  12
VAL A  82
GLU A 282
ILE A  10
ARG A 256
 None
 1.33A 1vhwA-3k96A:
undetectable
1vhwD-3k96A:
undetectable		 1vhwA-3k96A:
21.61
1vhwD-3k96A:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kvy URIDINE
PHOSPHORYLASE

(Bos taurus) 		PF01048
(PNP_UDP_1) 		6 MET A 109
ARG A 137
GLY A 142
GLU A 247
MET A 248
GLU A 249
 R2B  A 313 (-3.9A)
SO4  A 311 ( 3.0A)
URA  A 312 (-3.3A)
R2B  A 313 ( 4.4A)
URA  A 312 ( 3.7A)
R2B  A 313 (-2.6A)
 0.37A 1vhwA-3kvyA:
25.4
1vhwD-3kvyA:
25.5		 1vhwA-3kvyA:
26.75
1vhwD-3kvyA:
26.75
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.
3o4v MTA/SAH NUCLEOSIDASE

(Escherichia
coli) 		PF01048
(PNP_UDP_1) 		6 SER A  76
GLY A  78
VAL A 171
GLU A 172
MET A 173
GLU A 174
 4CT  A 233 (-3.2A)
4CT  A 233 (-3.8A)
4CT  A 233 ( 4.9A)
None
4CT  A 233 (-3.6A)
4CT  A 233 (-3.0A)
 0.41A 1vhwA-3o4vA:
24.7
1vhwD-3o4vA:
24.6		 1vhwA-3o4vA:
24.21
1vhwD-3o4vA:
24.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3of3 PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE 1

(Vibrio cholerae) 		PF01048
(PNP_UDP_1) 		6 ARG A 101
GLY A 191
VAL A 192
GLU A 193
MET A 194
GLU A 195
 PO4  A 501 (-2.8A)
None
DIH  A 500 (-4.8A)
None
DIH  A 500 (-3.8A)
DIH  A 500 (-2.9A)
 1.34A 1vhwA-3of3A:
42.5
1vhwD-3of3A:
42.5		 1vhwA-3of3A:
98.77
1vhwD-3of3A:
98.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3of3 PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE 1

(Vibrio cholerae) 		PF01048
(PNP_UDP_1) 		5 GLY A 191
VAL A 192
GLU A 193
GLU A 195
ARG A  38
 None
DIH  A 500 (-4.8A)
None
DIH  A 500 (-2.9A)
PO4  A 501 (-2.9A)
 1.41A 1vhwA-3of3A:
42.5
1vhwD-3of3A:
42.5		 1vhwA-3of3A:
98.77
1vhwD-3of3A:
98.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3of3 PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE 1

(Vibrio cholerae) 		PF01048
(PNP_UDP_1) 		9 MET A  78
ARG A 101
SER A 104
GLY A 106
VAL A 192
GLU A 193
MET A 194
GLU A 195
ILE A 220
 DIH  A 500 (-3.6A)
PO4  A 501 (-2.8A)
PO4  A 501 ( 2.7A)
DIH  A 500 (-4.0A)
DIH  A 500 (-4.8A)
None
DIH  A 500 (-3.8A)
DIH  A 500 (-2.9A)
None
 0.26A 1vhwA-3of3A:
42.5
1vhwD-3of3A:
42.5		 1vhwA-3of3A:
98.77
1vhwD-3of3A:
98.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p0f URIDINE
PHOSPHORYLASE 2

(Homo sapiens) 		PF01048
(PNP_UDP_1) 		6 MET A 116
ARG A 144
GLY A 149
GLU A 254
MET A 255
GLU A 256
 BAU  A 400 (-3.4A)
None
BAU  A 400 (-3.5A)
None
BAU  A 400 (-3.9A)
None
 0.40A 1vhwA-3p0fA:
24.9
1vhwD-3p0fA:
25.1		 1vhwA-3p0fA:
24.29
1vhwD-3p0fA:
24.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3qpb URIDINE
PHOSPHORYLASE

(Streptococcus
pyogenes) 		PF01048
(PNP_UDP_1) 		5 ARG A  94
GLY A  99
GLU A 196
MET A 197
GLU A 198
 R1P  A1254 (-3.1A)
URA  A1255 (-3.2A)
R1P  A1254 ( 4.4A)
R1P  A1254 (-3.9A)
R1P  A1254 (-2.6A)
 0.43A 1vhwA-3qpbA:
32.8
1vhwD-3qpbA:
32.8		 1vhwA-3qpbA:
30.54
1vhwD-3qpbA:
30.54
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.
3rpd METHIONINE SYNTHASE
(B12-INDEPENDENT)

(Shewanella sp.
W3-18-1) 		PF01717
(Meth_synt_2) 		5 ARG A 159
GLY A 203
VAL A 199
GLU A 198
ILE A 204
 None
 1.41A 1vhwA-3rpdA:
undetectable
1vhwD-3rpdA:
undetectable		 1vhwA-3rpdA:
19.95
1vhwD-3rpdA:
19.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tl6 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Entamoeba
histolytica) 		PF01048
(PNP_UDP_1) 		8 MET A  69
ARG A  92
SER A  95
GLY A  97
VAL A 182
GLU A 183
MET A 184
GLU A 185
 None
SO4  A 239 (-3.2A)
SO4  A 239 (-3.4A)
None
None
None
None
SO4  A 239 ( 4.4A)
 0.46A 1vhwA-3tl6A:
35.3
1vhwD-3tl6A:
35.4		 1vhwA-3tl6A:
44.98
1vhwD-3tl6A:
44.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uav PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Bacillus cereus) 		PF01048
(PNP_UDP_1) 		6 GLY A  92
VAL A 178
GLU A 179
GLU A 181
ILE A 206
ARG A  24
 None
None
None
SO4  A 236 ( 4.4A)
None
SO4  A 236 (-2.6A)
 1.40A 1vhwA-3uavA:
37.7
1vhwD-3uavA:
37.8		 1vhwA-3uavA:
55.00
1vhwD-3uavA:
55.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uav PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Bacillus cereus) 		PF01048
(PNP_UDP_1) 		8 MET A  64
ARG A  87
GLY A  92
VAL A 178
GLU A 179
MET A 180
GLU A 181
ILE A  94
 None
SO4  A 236 (-2.7A)
None
None
None
None
SO4  A 236 ( 4.4A)
None
 1.41A 1vhwA-3uavA:
37.7
1vhwD-3uavA:
37.8		 1vhwA-3uavA:
55.00
1vhwD-3uavA:
55.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uav PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Bacillus cereus) 		PF01048
(PNP_UDP_1) 		8 MET A  64
ARG A  87
GLY A  92
VAL A 178
GLU A 179
MET A 180
GLU A 181
ILE A 206
 None
SO4  A 236 (-2.7A)
None
None
None
None
SO4  A 236 ( 4.4A)
None
 0.46A 1vhwA-3uavA:
37.7
1vhwD-3uavA:
37.8		 1vhwA-3uavA:
55.00
1vhwD-3uavA:
55.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Bacillus
subtilis) 		PF01048
(PNP_UDP_1) 		7 ARG A  87
GLY A 176
VAL A 177
GLU A 178
MET A 179
GLU A 180
ILE A  94
 None
None
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
None
 1.48A 1vhwA-4daoA:
37.2
1vhwD-4daoA:
37.0		 1vhwA-4daoA:
50.97
1vhwD-4daoA:
50.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Bacillus
subtilis) 		PF01048
(PNP_UDP_1) 		8 ARG A  87
SER A  90
GLY A  92
VAL A 177
GLU A 178
MET A 179
GLU A 180
ILE A  94
 None
ADE  A 301 (-3.4A)
ADE  A 301 (-3.5A)
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
None
 1.42A 1vhwA-4daoA:
37.2
1vhwD-4daoA:
37.0		 1vhwA-4daoA:
50.97
1vhwD-4daoA:
50.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Bacillus
subtilis) 		PF01048
(PNP_UDP_1) 		8 MET A  64
ARG A  87
SER A  90
GLY A  92
VAL A 177
GLU A 178
MET A 179
GLU A 180
 None
None
ADE  A 301 (-3.4A)
ADE  A 301 (-3.5A)
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
 0.47A 1vhwA-4daoA:
37.2
1vhwD-4daoA:
37.0		 1vhwA-4daoA:
50.97
1vhwD-4daoA:
50.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Bacillus
subtilis) 		PF01048
(PNP_UDP_1) 		5 VAL A 177
GLU A 178
MET A 179
GLU A 180
ILE A 166
 ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
None
 1.35A 1vhwA-4daoA:
37.2
1vhwD-4daoA:
37.0		 1vhwA-4daoA:
50.97
1vhwD-4daoA:
50.97
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.
4dyj BROAD SPECIFICITY
AMINO ACID RACEMASE

(Pseudomonas
putida) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 GLY A 142
VAL A 177
ILE A 191
HIS A 242
ARG A 261
 None
None
None
None
LLP  A  75 ( 4.0A)
 1.16A 1vhwA-4dyjA:
undetectable
1vhwD-4dyjA:
undetectable		 1vhwA-4dyjA:
20.98
1vhwD-4dyjA:
20.98
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.
4g41 MTA/SAH NUCLEOSIDASE

(Streptococcus
pyogenes) 		PF01048
(PNP_UDP_1) 		5 VAL A 171
GLU A 172
MET A 173
GLU A 174
ILE A 158
 VAL  A 171 ( 0.6A)
GLU  A 172 ( 0.5A)
MET  A 173 ( 0.0A)
GLU  A 174 ( 0.6A)
ILE  A 158 ( 0.7A)
 0.76A 1vhwA-4g41A:
24.5
1vhwD-4g41A:
24.6		 1vhwA-4g41A:
24.82
1vhwD-4g41A:
24.82
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.
4hl6 UNCHARACTERIZED
PROTEIN YFDE

(Escherichia
coli) 		PF02515
(CoA_transf_3) 		5 ARG A  51
GLY A 372
VAL A  74
GLU A  42
ILE A 375
 None
 1.37A 1vhwA-4hl6A:
2.6
1vhwD-4hl6A:
undetectable		 1vhwA-4hl6A:
22.89
1vhwD-4hl6A:
22.89
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.
4isa UDP-3-O-[3-HYDROXYMY
RISTOYL]
N-ACETYLGLUCOSAMINE
DEACETYLASE

(Escherichia
coli) 		PF03331
(LpxC) 		5 GLY A 193
VAL A 217
GLU A 234
ILE A 198
HIS A  79
 GVR  A 402 (-3.6A)
None
None
FMT  A 405 ( 3.7A)
ZN  A 401 ( 3.3A)
 1.08A 1vhwA-4isaA:
undetectable
1vhwD-4isaA:
undetectable		 1vhwA-4isaA:
21.47
1vhwD-4isaA:
21.47
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.
4iss ALLOPHANATE
HYDROLASE

(Kluyveromyces
lactis) 		PF01425
(Amidase) 		5 SER A 177
GLY A 171
VAL A 212
ILE A  82
ARG A 313
 TAR  A 701 (-2.7A)
None
None
None
TAR  A 701 (-2.9A)
 1.08A 1vhwA-4issA:
undetectable
1vhwD-4issA:
undetectable		 1vhwA-4issA:
16.69
1vhwD-4issA:
16.69
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.
4kn5 METHYLTHIOADENOSINE
NUCLEOSIDASE

(Weissella
paramesenteroides) 		PF01048
(PNP_UDP_1) 		5 SER A  76
GLY A  78
GLU A 173
MET A 174
GLU A 175
 None
EDO  A 301 (-3.3A)
None
None
None
 0.63A 1vhwA-4kn5A:
23.4
1vhwD-4kn5A:
23.3		 1vhwA-4kn5A:
24.82
1vhwD-4kn5A:
24.82
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.
4l0m PUTATIVE
5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Borreliella
burgdorferi) 		PF01048
(PNP_UDP_1) 		6 SER A  79
GLY A  81
VAL A 178
MET A 180
GLU A 181
ILE A  83
 ADE  A 301 (-3.5A)
ADE  A 301 (-3.6A)
None
ADE  A 301 ( 4.2A)
None
None
 1.30A 1vhwA-4l0mA:
23.2
1vhwD-4l0mA:
23.2		 1vhwA-4l0mA:
22.85
1vhwD-4l0mA:
22.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ldn PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Aliivibrio
fischeri) 		PF01048
(PNP_UDP_1) 		7 ARG A  88
GLY A  93
VAL A 179
GLU A 180
GLU A 182
ILE A 207
ARG A  25
 PO4  A 301 (-2.9A)
None
None
None
PO4  A 301 ( 4.7A)
None
PO4  A 301 (-2.6A)
 1.45A 1vhwA-4ldnA:
38.7
1vhwD-4ldnA:
38.6		 1vhwA-4ldnA:
50.76
1vhwD-4ldnA:
50.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ldn PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Aliivibrio
fischeri) 		PF01048
(PNP_UDP_1) 		6 ARG A  88
GLY A 178
VAL A 179
GLU A 180
GLU A 182
ILE A  95
 PO4  A 301 (-2.9A)
None
None
None
PO4  A 301 ( 4.7A)
None
 1.36A 1vhwA-4ldnA:
38.7
1vhwD-4ldnA:
38.6		 1vhwA-4ldnA:
50.76
1vhwD-4ldnA:
50.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ldn PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Aliivibrio
fischeri) 		PF01048
(PNP_UDP_1) 		6 ARG A  88
GLY A 178
VAL A 179
GLU A 180
MET A 181
GLU A 182
 PO4  A 301 (-2.9A)
None
None
None
None
PO4  A 301 ( 4.7A)
 1.38A 1vhwA-4ldnA:
38.7
1vhwD-4ldnA:
38.6		 1vhwA-4ldnA:
50.76
1vhwD-4ldnA:
50.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ldn PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Aliivibrio
fischeri) 		PF01048
(PNP_UDP_1) 		7 ARG A  88
SER A  91
GLY A  93
VAL A 179
GLU A 180
GLU A 182
ILE A  95
 PO4  A 301 (-2.9A)
PO4  A 301 (-3.0A)
None
None
None
PO4  A 301 ( 4.7A)
None
 1.30A 1vhwA-4ldnA:
38.7
1vhwD-4ldnA:
38.6		 1vhwA-4ldnA:
50.76
1vhwD-4ldnA:
50.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ldn PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Aliivibrio
fischeri) 		PF01048
(PNP_UDP_1) 		9 MET A  65
ARG A  88
SER A  91
GLY A  93
VAL A 179
GLU A 180
MET A 181
GLU A 182
ILE A 207
 None
PO4  A 301 (-2.9A)
PO4  A 301 (-3.0A)
None
None
None
None
PO4  A 301 ( 4.7A)
None
 0.44A 1vhwA-4ldnA:
38.7
1vhwD-4ldnA:
38.6		 1vhwA-4ldnA:
50.76
1vhwD-4ldnA:
50.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lkr PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Shewanella
oneidensis) 		PF01048
(PNP_UDP_1) 		6 MET A  64
ARG A  87
SER A  90
GLY A  92
MET A 180
GLU A 181
 None
 0.47A 1vhwA-4lkrA:
38.7
1vhwD-4lkrA:
38.8		 1vhwA-4lkrA:
49.61
1vhwD-4lkrA:
49.61
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.
4lnq INTERFERON-ACTIVABLE
PROTEIN 202

(Mus musculus) 		PF02760
(HIN) 		5 MET A  62
SER A  91
VAL A 144
GLU A  90
ILE A 149
 None
 1.26A 1vhwA-4lnqA:
undetectable
1vhwD-4lnqA:
undetectable		 1vhwA-4lnqA:
21.67
1vhwD-4lnqA:
21.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m3n PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Meiothermus
ruber) 		PF01048
(PNP_UDP_1) 		6 GLY A  92
VAL A 178
GLU A 179
MET A 180
GLU A 181
ILE A  94
 None
 1.46A 1vhwA-4m3nA:
38.5
1vhwD-4m3nA:
38.5		 1vhwA-4m3nA:
49.06
1vhwD-4m3nA:
49.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m3n PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Meiothermus
ruber) 		PF01048
(PNP_UDP_1) 		6 MET A  64
GLY A  92
VAL A 178
GLU A 179
MET A 180
GLU A 181
 None
 0.22A 1vhwA-4m3nA:
38.5
1vhwD-4m3nA:
38.5		 1vhwA-4m3nA:
49.06
1vhwD-4m3nA:
49.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m7w PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Leptotrichia
buccalis) 		PF01048
(PNP_UDP_1) 		7 MET A  65
ARG A  88
GLY A  93
VAL A 179
GLU A 180
MET A 181
GLU A 182
 None
PO4  A 400 (-3.0A)
None
None
None
None
PO4  A 400 ( 4.4A)
 0.41A 1vhwA-4m7wA:
39.5
1vhwD-4m7wA:
39.6		 1vhwA-4m7wA:
48.28
1vhwD-4m7wA:
48.28
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.
4mch URIDINE
PHOSPHORYLASE

(Aliivibrio
fischeri) 		PF01048
(PNP_UDP_1) 		5 ARG A  87
SER A  90
GLY A  92
MET A 180
GLU A 181
 SO4  A 500 (-2.9A)
SO4  A 500 (-2.9A)
DMS  A 515 ( 4.1A)
DMS  A 513 ( 4.3A)
SO4  A 500 ( 4.2A)
 0.49A 1vhwA-4mchA:
31.9
1vhwD-4mchA:
31.9		 1vhwA-4mchA:
25.70
1vhwD-4mchA:
25.70
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.
4o7h GLUTATHIONE
S-TRANSFERASE

(Rhodospirillum
rubrum) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		5 GLY A 133
VAL A 106
GLU A 105
HIS A 184
ARG A 142
 None
 1.24A 1vhwA-4o7hA:
undetectable
1vhwD-4o7hA:
undetectable		 1vhwA-4o7hA:
21.88
1vhwD-4o7hA:
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.
4ofw PROTEIN DJ-1 HOMOLOG
D

(Arabidopsis
thaliana) 		PF01965
(DJ-1_PfpI) 		5 ARG A  91
GLY A  65
VAL A  51
GLU A  62
ILE A 244
 None
 1.47A 1vhwA-4ofwA:
undetectable
1vhwD-4ofwA:
undetectable		 1vhwA-4ofwA:
19.70
1vhwD-4ofwA:
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.
4pr3 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE

(Brucella
melitensis) 		PF01048
(PNP_UDP_1) 		5 SER A  65
GLY A  67
VAL A 142
MET A 144
GLU A 145
 ADE  A 501 (-3.5A)
ADE  A 501 (-3.7A)
ADE  A 501 (-4.7A)
ADE  A 501 (-4.0A)
None
 0.44A 1vhwA-4pr3A:
14.9
1vhwD-4pr3A:
14.8		 1vhwA-4pr3A:
21.83
1vhwD-4pr3A:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Bacillus
anthracis) 		no annotation 6 SER B  76
GLY B  78
VAL B 172
GLU B 173
MET B 174
GLU B 175
 TRS  B 302 (-2.8A)
ADE  B 301 (-3.2A)
None
TRS  B 302 ( 4.8A)
TRS  B 302 (-4.2A)
TRS  B 302 (-2.7A)
 0.52A 1vhwA-4qezB:
23.3
1vhwD-4qezB:
23.2		 1vhwA-4qezB:
28.52
1vhwD-4qezB:
28.52
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.
4r2w URIDINE
PHOSPHORYLASE

(Shewanella
oneidensis) 		PF01048
(PNP_UDP_1) 		5 ARG A  88
GLY A  93
GLU A 193
GLU A 195
ARG A  27
 SO4  A 302 ( 2.8A)
None
GOL  A 303 (-4.9A)
GOL  A 303 (-2.9A)
SO4  A 302 (-3.0A)
 1.28A 1vhwA-4r2wA:
31.6
1vhwD-4r2wA:
31.6		 1vhwA-4r2wA:
27.41
1vhwD-4r2wA:
27.41
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.
4r2w URIDINE
PHOSPHORYLASE

(Shewanella
oneidensis) 		PF01048
(PNP_UDP_1) 		5 ARG A  88
GLY A  93
GLU A 193
GLU A 195
ILE A  95
 SO4  A 302 ( 2.8A)
None
GOL  A 303 (-4.9A)
GOL  A 303 (-2.9A)
None
 1.40A 1vhwA-4r2wA:
31.6
1vhwD-4r2wA:
31.6		 1vhwA-4r2wA:
27.41
1vhwD-4r2wA:
27.41
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.
4r2w URIDINE
PHOSPHORYLASE

(Shewanella
oneidensis) 		PF01048
(PNP_UDP_1) 		5 ARG A  88
GLY A  93
GLU A 193
MET A 194
GLU A 195
 SO4  A 302 ( 2.8A)
None
GOL  A 303 (-4.9A)
GOL  A 303 (-3.5A)
GOL  A 303 (-2.9A)
 0.37A 1vhwA-4r2wA:
31.6
1vhwD-4r2wA:
31.6		 1vhwA-4r2wA:
27.41
1vhwD-4r2wA:
27.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4tym PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Streptococcus
agalactiae) 		PF01048
(PNP_UDP_1) 		6 ARG A 109
GLY A 114
GLU A 201
MET A 202
GLU A 203
ILE A 116
 SO4  A 301 (-2.8A)
None
None
None
SO4  A 301 ( 4.4A)
None
 1.35A 1vhwA-4tymA:
38.9
1vhwD-4tymA:
39.1		 1vhwA-4tymA:
46.21
1vhwD-4tymA:
46.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4tym PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Streptococcus
agalactiae) 		PF01048
(PNP_UDP_1) 		6 MET A  86
ARG A 109
GLY A 114
GLU A 201
MET A 202
GLU A 203
 None
SO4  A 301 (-2.8A)
None
None
None
SO4  A 301 ( 4.4A)
 0.31A 1vhwA-4tymA:
38.9
1vhwD-4tymA:
39.1		 1vhwA-4tymA:
46.21
1vhwD-4tymA:
46.21
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.
4wa8 FLAP ENDONUCLEASE 1

(Methanopyrus
kandleri) 		PF00752
(XPG_N)
PF00867
(XPG_I) 		5 SER A 173
GLY A 167
VAL A 182
MET A 207
ILE A 185
 None
 1.40A 1vhwA-4wa8A:
undetectable
1vhwD-4wa8A:
undetectable		 1vhwA-4wa8A:
20.88
1vhwD-4wa8A:
20.88
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.
4xkz VALINE-TRNA LIGASE

(Pseudomonas
aeruginosa) 		PF08264
(Anticodon_1) 		5 VAL A 874
GLU A 873
MET A 872
ILE A 823
HIS A 833
 None
 1.36A 1vhwA-4xkzA:
undetectable
1vhwD-4xkzA:
undetectable		 1vhwA-4xkzA:
17.92
1vhwD-4xkzA:
17.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bv3 M7GPPPX
DIPHOSPHATASE

(Saccharomyces
cerevisiae) 		PF05652
(DcpS)
PF11969
(DcpS_C) 		5 ARG A 144
MET A 141
GLU A 140
ILE A 315
ARG A 336
 None
 1.35A 1vhwA-5bv3A:
undetectable
1vhwD-5bv3A:
undetectable		 1vhwA-5bv3A:
21.11
1vhwD-5bv3A:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Colwellia
psychrerythraea) 		PF01048
(PNP_UDP_1) 		6 SER A  76
GLY A  78
VAL A 177
GLU A 178
MET A 179
GLU A 180
 ADE  A 302 ( 3.7A)
ADE  A 302 (-3.6A)
ADE  A 302 (-4.6A)
None
ADE  A 302 (-4.1A)
None
 0.46A 1vhwA-5dk6A:
24.2
1vhwD-5dk6A:
24.1		 1vhwA-5dk6A:
24.14
1vhwD-5dk6A:
24.14
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.
5hmq 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Pseudomonas
putida) 		PF00903
(Glyoxalase)
PF01261
(AP_endonuc_2)
PF14696
(Glyoxalase_5) 		5 GLY A  28
VAL A  29
GLU A  30
ILE A  55
ARG A 130
 None
 1.01A 1vhwA-5hmqA:
undetectable
1vhwD-5hmqA:
undetectable		 1vhwA-5hmqA:
17.30
1vhwD-5hmqA:
17.30
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.
5i8i UREA AMIDOLYASE

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF01425
(Amidase)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 SER A 177
GLY A 171
VAL A 212
ILE A  82
ARG A 313
 None
 1.05A 1vhwA-5i8iA:
undetectable
1vhwD-5i8iA:
undetectable		 1vhwA-5i8iA:
9.08
1vhwD-5i8iA:
9.08
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.
5jyx ARCHEAOSINE SYNTHASE
QUEF-LIKE

(Pyrobaculum
calidifontis) 		PF14489
(QueF) 		5 GLY A  92
VAL A  93
GLU A  94
ILE A  91
ARG A  16
 None
 1.32A 1vhwA-5jyxA:
undetectable
1vhwD-5jyxA:
undetectable		 1vhwA-5jyxA:
21.10
1vhwD-5jyxA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k1z AMINODEOXYFUTALOSINE
NUCLEOSIDASE

(Helicobacter
pylori) 		PF01048
(PNP_UDP_1) 		5 GLY A  80
VAL A 172
GLU A 173
MET A 174
GLU A 175
 4CT  A 301 (-3.4A)
4CT  A 301 ( 4.5A)
None
4CT  A 301 (-3.0A)
4CT  A 301 (-2.2A)
 0.39A 1vhwA-5k1zA:
24.2
1vhwD-5k1zA:
24.1		 1vhwA-5k1zA:
22.61
1vhwD-5k1zA:
22.61
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.
5l8s AMINO ACYL PEPTIDASE

(Sporosarcina
psychrophila) 		PF00326
(Peptidase_S9) 		5 MET A 528
GLY A 456
VAL A 479
MET A 532
ILE A 481
 None
 1.22A 1vhwA-5l8sA:
2.1
1vhwD-5l8sA:
undetectable		 1vhwA-5l8sA:
19.21
1vhwD-5l8sA:
19.21
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.
5lhv URIDINE
PHOSPHORYLASE

(Vibrio cholerae) 		PF01048
(PNP_UDP_1) 		6 ARG A  90
GLY A  95
GLU A 195
MET A 196
GLU A 197
ILE A  97
 SO4  A 301 ( 3.0A)
URI  A 303 ( 3.4A)
URI  A 303 ( 4.6A)
URI  A 303 ( 3.7A)
URI  A 303 (-2.7A)
None
 1.37A 1vhwA-5lhvA:
32.3
1vhwD-5lhvA:
32.4		 1vhwA-5lhvA:
26.81
1vhwD-5lhvA:
26.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nij VACUOLAR-PROCESSING
ENZYME GAMMA-ISOZYME

(Arabidopsis
thaliana) 		no annotation 5 SER A 221
GLY A 179
VAL A 182
ILE A 450
HIS A  75
 None
None
None
None
SNN  A 176 ( 3.3A)
 1.16A 1vhwA-5nijA:
undetectable
1vhwD-5nijA:
undetectable		 1vhwA-5nijA:
14.57
1vhwD-5nijA:
14.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t1q N-ACETYLMURAMOYL-L-A
LANINE AMIDASE
DOMAIN-CONTAINING
PROTEIN
SAOUHSC_02979

(Staphylococcus
aureus) 		PF01832
(Glucosaminidase)
PF05257
(CHAP) 		5 ARG A 500
SER A 317
VAL A 314
ILE A 462
HIS A 510
 None
 1.43A 1vhwA-5t1qA:
undetectable
1vhwD-5t1qA:
undetectable		 1vhwA-5t1qA:
20.79
1vhwD-5t1qA:
20.79
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.
5ted LMO0488 PROTEIN

(Listeria
monocytogenes) 		no annotation 5 SER B 200
VAL B 223
GLU B 224
ILE B 194
ARG B 265
 SKM  B 401 (-2.8A)
None
None
None
SKM  B 401 (-3.4A)
 1.42A 1vhwA-5tedB:
undetectable
1vhwD-5tedB:
undetectable		 1vhwA-5tedB:
24.64
1vhwD-5tedB:
24.64
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.
5u39 UDP-3-O-ACYL-N-ACETY
LGLUCOSAMINE
DEACETYLASE

(Pseudomonas
aeruginosa) 		PF03331
(LpxC) 		5 GLY A 192
VAL A 216
GLU A 233
ILE A 197
HIS A  78
 C90  A 502 ( 4.5A)
C90  A 502 (-4.8A)
None
C90  A 502 (-4.0A)
ZN  A 501 ( 3.3A)
 1.17A 1vhwA-5u39A:
undetectable
1vhwD-5u39A:
undetectable		 1vhwA-5u39A:
21.45
1vhwD-5u39A:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u47 PENICILLIN BINDING
PROTEIN 2X

(Streptococcus
thermophilus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
PF03793
(PASTA) 		5 ARG A 658
GLY A 506
VAL A 504
GLU A 503
ILE A 479
 CL  A 801 (-3.1A)
None
None
None
None
 1.45A 1vhwA-5u47A:
undetectable
1vhwD-5u47A:
undetectable		 1vhwA-5u47A:
16.36
1vhwD-5u47A:
16.36
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.
5ue1 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Aliivibrio
fischeri) 		PF01048
(PNP_UDP_1) 		6 SER A  76
GLY A  78
VAL A 172
GLU A 173
MET A 174
GLU A 175
 TRS  A 302 (-2.8A)
9DA  A 301 (-3.5A)
None
TRS  A 302 ( 4.6A)
TRS  A 302 (-3.9A)
TRS  A 302 (-2.7A)
 0.51A 1vhwA-5ue1A:
24.8
1vhwD-5ue1A:
24.7		 1vhwA-5ue1A:
26.62
1vhwD-5ue1A:
26.62
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.
5uj7 ORIGIN RECOGNITION
COMPLEX SUBUNIT 1
ORIGIN RECOGNITION
COMPLEX SUBUNIT 4

(Homo sapiens) 		PF00004
(AAA)
PF09079
(Cdc6_C)
PF13191
(AAA_16)
PF14629
(ORC4_C) 		5 ARG A 727
GLU C  59
GLU A 731
ILE C 155
HIS C 216
 None
 0.79A 1vhwA-5uj7A:
undetectable
1vhwD-5uj7A:
undetectable		 1vhwA-5uj7A:
20.00
1vhwD-5uj7A:
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.
5us1 AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE

(Providencia
stuartii) 		PF13673
(Acetyltransf_10) 		5 ARG A 173
GLY A  76
VAL A  78
GLU A  79
ILE A 104
 None
None
None
8MM  A 201 (-4.5A)
None
 1.42A 1vhwA-5us1A:
undetectable
1vhwD-5us1A:
undetectable		 1vhwA-5us1A:
19.18
1vhwD-5us1A:
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.
5vha DEAH
(ASP-GLU-ALA-HIS)
BOX POLYPEPTIDE 36

(Bos taurus) 		no annotation 5 GLY A 705
VAL A 700
GLU A 640
ILE A 708
HIS A 891
 None
 1.08A 1vhwA-5vhaA:
undetectable
1vhwD-5vhaA:
undetectable		 1vhwA-5vhaA:
14.23
1vhwD-5vhaA:
14.23
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.
5x8t 50S RIBOSOMAL
PROTEIN L19,
CHLOROPLASTIC

(Spinacia
oleracea) 		PF01245
(Ribosomal_L19) 		5 GLY Q 191
VAL Q 192
GLU Q 193
ILE Q 187
ARG Q 212
 None
 1.35A 1vhwA-5x8tQ:
undetectable
1vhwD-5x8tQ:
undetectable		 1vhwA-5x8tQ:
21.55
1vhwD-5x8tQ:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xv9 COLD-SHOCK
DNA-BINDING DOMAIN
FAMILY PROTEIN

(Colwellia
psychrerythraea) 		no annotation 5 SER A   2
GLY A   4
VAL A  49
GLU A  50
ILE A  18
 None
 1.29A 1vhwA-5xv9A:
undetectable
1vhwD-5xv9A:
undetectable		 1vhwA-5xv9A:
16.10
1vhwD-5xv9A:
16.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6all FE(3+)-CITRATE-BINDI
NG PROTEIN YFMC

(Bacillus
anthracis) 		PF01497
(Peripla_BP_2) 		5 ARG A 102
GLY A 304
VAL A  61
GLU A  59
ARG A 214
 None
None
None
None
PE3  A 401 (-2.9A)
 1.48A 1vhwA-6allA:
undetectable
1vhwD-6allA:
undetectable		 1vhwA-6allA:
21.80
1vhwD-6allA:
21.80
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.
6g7x -

(-) 		no annotation 6 ARG A  87
GLY A  92
GLU A 179
MET A 180
GLU A 181
ILE A  94
 PO4  A 304 ( 4.4A)
IMD  A 302 ( 4.2A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
None
 1.42A 1vhwA-6g7xA:
39.8
1vhwD-6g7xA:
39.6		 1vhwA-6g7xA:
undetectable
1vhwD-6g7xA:
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.
6g7x -

(-) 		no annotation 6 MET A  64
ARG A  87
GLY A  92
GLU A 179
MET A 180
GLU A 181
 None
PO4  A 304 ( 4.4A)
IMD  A 302 ( 4.2A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
 0.46A 1vhwA-6g7xA:
39.8
1vhwD-6g7xA:
39.6		 1vhwA-6g7xA:
undetectable
1vhwD-6g7xA:
undetectable