SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'MLI'


List of Similar Pattern of Amino Acids

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 on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 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.
1D4F_B_ADNB602_1
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		 3u1t DMMA HALOALKANE
DEHALOGENASE
(unidentified) 		5 / 12 LEU A  84
GLU A 228
ASP A 320
HIS A 315
LEU A 215
 None
None
None
MLI  A 351 (-3.3A)
None
 1.40A 1d4fB-3u1tA:
5.4		 1d4fB-3u1tA:
22.43
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.
1DX6_A_GNTA602_1
(ACETYLCHOLINESTERASE)		 5w1u CARBOXYLIC ESTER
HYDROLASE
(Culex
quinquefasciatus) 		7 / 12 GLY A 108
GLY A 109
GLY A 110
SER A 191
TRP A 224
PHE A 281
HIS A 442
 EPE  A 600 ( 3.9A)
EPE  A 600 (-3.0A)
EPE  A 600 ( 4.4A)
MLI  A 601 ( 3.8A)
MLI  A 601 (-3.4A)
MLI  A 601 (-3.7A)
EPE  A 600 ( 4.0A)
 0.83A 1dx6A-5w1uA:
40.9		 1dx6A-5w1uA:
29.88
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.
1E9L_A_GCSA800_1
(YM1 SECRETORY
PROTEIN)		 4w5u CHITINASE
(Streptomyces
thermoviolaceus) 		8 / 9 TYR B  46
PHE B  78
GLY B 141
ASP B 181
MET B 248
TYR B 250
ASP B 251
TRP B 388
 None
None
None
None
None
None
MLI  B 501 ( 4.7A)
None
 0.65A 1e9lA-4w5uB:
42.1		 1e9lA-4w5uB:
26.25
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.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		 2zoa PHOSPHOHYDROLASE
(Klebsiella
aerogenes) 		5 / 8 ASP A   8
ASP A  50
HIS A  81
HIS A 156
ILE A 170
 FE2  A 275 ( 3.1A)
FE2  A 276 (-2.7A)
MLI  A 277 (-4.3A)
FE2  A 276 (-3.6A)
None
 1.27A 1ei6C-2zoaA:
undetectable		 1ei6C-2zoaA:
22.30
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.
1ERE_E_ESTE600_1
(ESTROGEN RECEPTOR)		 2y4l MANNOSYLGLYCERATE
SYNTHASE
(Rhodothermus
marinus) 		4 / 8 MET A 229
ALA A 236
LEU A 194
LEU A 163
 MLI  A 402 ( 4.1A)
None
None
MLI  A 402 (-4.6A)
 0.77A 1ereE-2y4lA:
undetectable		 1ereE-2y4lA:
20.83
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.
1ERE_F_ESTF600_1
(ESTROGEN RECEPTOR)		 2y4l MANNOSYLGLYCERATE
SYNTHASE
(Rhodothermus
marinus) 		4 / 8 MET A 229
ALA A 236
LEU A 194
LEU A 163
 MLI  A 402 ( 4.1A)
None
None
MLI  A 402 (-4.6A)
 0.79A 1ereF-2y4lA:
undetectable		 1ereF-2y4lA:
20.83
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.
1FKB_A_RAPA108_1
(FK506 BINDING
PROTEIN)		 4dxe ACYL-CARRIER-PROTEIN
SYNTHASE
(Staphylococcus
aureus) 		5 / 12 PHE A  38
GLU A  44
ILE A  15
HIS A 103
ILE A 101
 None
None
None
MLI  A 201 (-4.4A)
MLI  A 201 ( 4.1A)
 1.21A 1fkbA-4dxeA:
undetectable		 1fkbA-4dxeA:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		 4azd ASPARTATE
1-DECARBOXYLASE
(Escherichia
coli) 		4 / 7 SER A  70
SER A  25
ALA A  27
ILE A  60
 None
MLI  A1120 (-2.5A)
None
MLI  A1120 (-4.0A)
 0.99A 1fxhA-4azdA:
undetectable
1fxhB-4azdA:
undetectable		 1fxhA-4azdA:
19.91
1fxhB-4azdA:
15.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FXV_B_PNNB1001_0
(PENICILLIN ACYLASE)		 5xwz UNPLACED GENOMIC
SCAFFOLD
SUPERCONT1.36, WHOLE
GENOME SHOTGUN
SEQUENCE
(Cladophialophora
bantiana) 		4 / 7 MET A 160
PHE A 242
SER A 248
PHE A 222
 MLI  A 302 ( 4.3A)
None
None
None
 1.14A 1fxvA-5xwzA:
undetectable
1fxvB-5xwzA:
undetectable		 1fxvA-5xwzA:
undetectable
1fxvB-5xwzA:
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.
1GFZ_A_CFFA940_1
(GLYCOGEN
PHOSPHORYLASE)		 5ixx ALR2278 PROTEIN
(Nostoc
sp.
PCC
7120) 		4 / 6 HIS A  16
ALA A  69
GLY A  71
TYR A  73
 MLI  A 203 (-3.1A)
MLI  A 203 ( 3.7A)
None
None
 1.09A 1gfzA-5ixxA:
undetectable		 1gfzA-5ixxA:
12.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTN_O_TRPO81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 3l6c SERINE RACEMASE
(Rattus
norvegicus) 		5 / 10 GLY A  85
ALA A  90
THR A  81
HIS A  82
ALA A  60
 MLI  A 341 ( 4.9A)
None
None
None
None
 1.21A 1gtnO-3l6cA:
undetectable
1gtnP-3l6cA:
undetectable		 1gtnO-3l6cA:
14.11
1gtnP-3l6cA:
14.11
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.
1GTN_O_TRPO81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 3l6r SERINE RACEMASE
(Homo
sapiens) 		5 / 10 GLY A  85
ALA A  90
THR A  81
HIS A  82
ALA A  60
 MLI  A 347 ( 4.8A)
LLP  A  56 ( 3.6A)
None
None
LLP  A  56 ( 3.5A)
 1.24A 1gtnO-3l6rA:
undetectable
1gtnP-3l6rA:
undetectable		 1gtnO-3l6rA:
12.84
1gtnP-3l6rA:
12.84
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.
1HSG_B_MK1B902_1
(HIV-1 PROTEASE)		 3gmi UPF0348 PROTEIN
MJ0951
(Methanocaldococc
us
jannaschii) 		6 / 10 LEU A 312
ILE A 123
GLY A 125
PRO A 289
VAL A 292
ILE A 324
 None
None
MLI  A 401 (-3.3A)
None
None
None
 1.37A 1hsgA-3gmiA:
undetectable		 1hsgA-3gmiA:
14.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1I7Q_A_BEZA1501_0
(ANTHRANILATE
SYNTHASE)		 4m9d ADENYLOSUCCINATE
SYNTHETASE
(Bacillus
anthracis) 		5 / 11 GLU A  14
GLY A  17
THR A  20
GLY A  40
GLU A 220
 MLI  A 502 (-4.7A)
MLI  A 502 (-3.2A)
None
MLI  A 502 (-4.8A)
None
 1.09A 1i7qA-4m9dA:
undetectable		 1i7qA-4m9dA:
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.
1I7Q_C_BEZC1502_0
(ANTHRANILATE
SYNTHASE)		 4m9d ADENYLOSUCCINATE
SYNTHETASE
(Bacillus
anthracis) 		5 / 10 GLU A  14
GLY A  17
THR A  20
GLY A  40
GLU A 220
 MLI  A 502 (-4.7A)
MLI  A 502 (-3.2A)
None
MLI  A 502 (-4.8A)
None
 1.09A 1i7qC-4m9dA:
undetectable		 1i7qC-4m9dA:
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.
1JIP_A_KTNA801_1
(CYTOCHROME P450
107A1)		 3bdz P450CIN
(Citrobacter
braakii) 		5 / 12 PHE A 246
ALA A 242
GLY A 341
LEU A 237
ALA A  91
 HEM  A 450 (-4.9A)
HEM  A 450 (-3.5A)
HEM  A 450 (-4.1A)
MLI  A 500 ( 4.5A)
MLI  A 500 ( 2.9A)
 1.42A 1jipA-3bdzA:
45.7		 1jipA-3bdzA:
29.55
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.
1KGL_A_RTLA175_1
(CELLULAR
RETINOL-BINDING
PROTEIN TYPE I)		 4ryf ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT
(Listeria
monocytogenes) 		4 / 7 LEU H 126
ILE H 120
MET H 175
MET H 154
 None
None
None
MLI  H 301 ( 4.6A)
 0.86A 1kglA-4ryfH:
undetectable		 1kglA-4ryfH:
19.25
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.
1KIA_A_SAMA293_0
(GLYCINE
N-METHYLTRANSFERASE)		 3m8u HEME-BINDING PROTEIN
A
(Glaesserella
parasuis) 		5 / 12 ILE A 414
GLY A 428
ALA A 499
GLY A 425
TYR A 413
 MLI  A   3 ( 3.9A)
GDS  A   1 (-3.6A)
None
None
None
 1.04A 1kiaA-3m8uA:
undetectable		 1kiaA-3m8uA:
20.70
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.
1KIA_B_SAMB1293_0
(GLYCINE
N-METHYLTRANSFERASE)		 3m8u HEME-BINDING PROTEIN
A
(Glaesserella
parasuis) 		5 / 12 ILE A 414
GLY A 428
ALA A 499
GLY A 425
TYR A 413
 MLI  A   3 ( 3.9A)
GDS  A   1 (-3.6A)
None
None
None
 1.05A 1kiaB-3m8uA:
undetectable		 1kiaB-3m8uA:
20.70
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.
1KIA_C_SAMC2293_0
(GLYCINE
N-METHYLTRANSFERASE)		 3m8u HEME-BINDING PROTEIN
A
(Glaesserella
parasuis) 		5 / 12 ILE A 414
GLY A 428
ALA A 499
GLY A 425
TYR A 413
 MLI  A   3 ( 3.9A)
GDS  A   1 (-3.6A)
None
None
None
 1.06A 1kiaC-3m8uA:
undetectable		 1kiaC-3m8uA:
20.70
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.
1KT4_A_RTLA184_0
(PLASMA
RETINOL-BINDING
PROTEIN)		 6b3b APRA
METHYLTRANSFERASE 1
(Moorea
bouillonii) 		5 / 12 ALA A 457
VAL A 432
MET A 209
TYR A 206
ARG A 238
 None
GOL  A 704 ( 4.8A)
None
MLI  A 703 (-4.3A)
MLI  A 703 ( 4.8A)
 1.35A 1kt4A-6b3bA:
1.8		 1kt4A-6b3bA:
14.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MAA_C_DMEC997_1
(ACETYLCHOLINESTERASE)		 5w1u CARBOXYLIC ESTER
HYDROLASE
(Culex
quinquefasciatus) 		5 / 12 GLY A 108
TYR A 105
SER A 191
TYR A 428
HIS A 442
 EPE  A 600 ( 3.9A)
None
MLI  A 601 ( 3.8A)
EPE  A 600 (-3.3A)
EPE  A 600 ( 4.0A)
 1.32A 1maaC-5w1uA:
40.3		 1maaC-5w1uA:
31.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MAA_C_DMEC997_1
(ACETYLCHOLINESTERASE)		 5w1u CARBOXYLIC ESTER
HYDROLASE
(Culex
quinquefasciatus) 		5 / 12 GLY A 109
TYR A 105
SER A 191
PHE A 281
HIS A 442
 EPE  A 600 (-3.0A)
None
MLI  A 601 ( 3.8A)
MLI  A 601 (-3.7A)
EPE  A 600 ( 4.0A)
 1.46A 1maaC-5w1uA:
40.3		 1maaC-5w1uA:
31.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MAA_C_DMEC997_1
(ACETYLCHOLINESTERASE)		 5w1u CARBOXYLIC ESTER
HYDROLASE
(Culex
quinquefasciatus) 		5 / 12 GLY A 109
TYR A 105
SER A 191
TYR A 428
HIS A 442
 EPE  A 600 (-3.0A)
None
MLI  A 601 ( 3.8A)
EPE  A 600 (-3.3A)
EPE  A 600 ( 4.0A)
 1.17A 1maaC-5w1uA:
40.3		 1maaC-5w1uA:
31.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MAA_C_DMEC997_1
(ACETYLCHOLINESTERASE)		 5w1u CARBOXYLIC ESTER
HYDROLASE
(Culex
quinquefasciatus) 		5 / 12 GLY A 109
TYR A 121
SER A 191
PHE A 281
HIS A 442
 EPE  A 600 (-3.0A)
EPE  A 600 (-4.2A)
MLI  A 601 ( 3.8A)
MLI  A 601 (-3.7A)
EPE  A 600 ( 4.0A)
 0.94A 1maaC-5w1uA:
40.3		 1maaC-5w1uA:
31.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MX1_F_THAF6_1
(LIVER
CARBOXYLESTERASE I)		 5w1u CARBOXYLIC ESTER
HYDROLASE
(Culex
quinquefasciatus) 		5 / 12 GLY A 109
GLY A 110
SER A 191
PHE A 394
HIS A 442
 EPE  A 600 (-3.0A)
EPE  A 600 ( 4.4A)
MLI  A 601 ( 3.8A)
MLI  A 601 ( 4.1A)
EPE  A 600 ( 4.0A)
 0.47A 1mx1F-5w1uA:
39.2		 1mx1F-5w1uA:
30.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1N2X_A_SAMA401_0
(S-ADENOSYL-METHYLTRA
NSFERASE MRAW)		 4mco TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT
(Rhodoferax
ferrireducens) 		5 / 12 THR A 214
GLY A 154
GLY A 234
GLN A 152
ASN A 198
 MLI  A 401 (-3.8A)
None
None
MLI  A 401 ( 4.3A)
None
 1.29A 1n2xA-4mcoA:
2.0		 1n2xA-4mcoA:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NBH_B_SAMB1293_0
(GLYCINE
N-METHYLTRANSFERASE)		 3m8u HEME-BINDING PROTEIN
A
(Glaesserella
parasuis) 		5 / 12 ILE A 414
GLY A 428
ALA A 499
GLY A 425
TYR A 413
 MLI  A   3 ( 3.9A)
GDS  A   1 (-3.6A)
None
None
None
 1.04A 1nbhB-3m8uA:
undetectable		 1nbhB-3m8uA:
20.70
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.
1OE1_A_CUA502_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 5ebb ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A
(Homo
sapiens) 		3 / 3 ASP A 110
HIS A 152
HIS A  47
 ZN  A 701 (-2.5A)
MLI  A 706 (-3.9A)
ZN  A 702 ( 3.4A)
 0.64A 1oe1A-5ebbA:
undetectable		 1oe1A-5ebbA:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OE3_A_CUA502_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 5ebb ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A
(Homo
sapiens) 		3 / 3 ASP A 110
HIS A 152
HIS A  47
 ZN  A 701 (-2.5A)
MLI  A 706 (-3.9A)
ZN  A 702 ( 3.4A)
 0.63A 1oe3A-5ebbA:
undetectable		 1oe3A-5ebbA:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OHR_A_1UNA201_2
(ASPARTYLPROTEASE)		 3gmi UPF0348 PROTEIN
MJ0951
(Methanocaldococc
us
jannaschii) 		6 / 9 LEU A 312
ILE A 123
GLY A 125
PRO A 289
VAL A 292
ILE A 324
 None
None
MLI  A 401 (-3.3A)
None
None
None
 1.39A 1ohrB-3gmiA:
undetectable		 1ohrB-3gmiA:
14.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OQ5_A_CELA701_2
(CARBONIC ANHYDRASE
II)		 2x8w METHYLGLYOXAL
SYNTHASE
(Thermus
sp.
GH5) 		4 / 4 HIS A   9
VAL A  92
THR A  38
LEU A  53
 MLI  A1126 (-4.5A)
None
MLI  A1126 (-3.6A)
None
 1.36A 1oq5A-2x8wA:
undetectable		 1oq5A-2x8wA:
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.
1PK9_C_2FAC308_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4gys ALLOPHANATE
HYDROLASE
(Granulibacter
bethesdensis) 		5 / 11 SER A 172
GLY A 166
VAL A 207
SER A 149
ILE A  77
 MLI  A1000 (-4.2A)
None
None
None
None
 1.13A 1pk9C-4gysA:
undetectable		 1pk9C-4gysA:
17.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1QTI_A_GNTA600_1
(ACETYLCHOLINESTERASE)		 5w1u CARBOXYLIC ESTER
HYDROLASE
(Culex
quinquefasciatus) 		6 / 12 GLY A 108
GLY A 109
GLY A 110
SER A 191
PHE A 281
HIS A 442
 EPE  A 600 ( 3.9A)
EPE  A 600 (-3.0A)
EPE  A 600 ( 4.4A)
MLI  A 601 ( 3.8A)
MLI  A 601 (-3.7A)
EPE  A 600 ( 4.0A)
 0.80A 1qtiA-5w1uA:
40.8		 1qtiA-5w1uA:
30.17
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.
1RJD_A_SAMA801_0
(CARBOXY METHYL
TRANSFERASE FOR
PROTEIN PHOSPHATASE
2A CATALYTIC SUBUNIT)		 3l6c SERINE RACEMASE
(Rattus
norvegicus) 		5 / 12 ILE A  57
THR A  52
ALA A 117
GLY A  85
LEU A  91
 None
None
None
MLI  A 341 ( 4.9A)
None
 1.09A 1rjdA-3l6cA:
2.8		 1rjdA-3l6cA:
23.37
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.
1RJD_B_SAMB802_0
(CARBOXY METHYL
TRANSFERASE FOR
PROTEIN PHOSPHATASE
2A CATALYTIC SUBUNIT)		 3l6c SERINE RACEMASE
(Rattus
norvegicus) 		5 / 12 ILE A  57
THR A  52
ALA A 117
GLY A  85
LEU A  91
 None
None
None
MLI  A 341 ( 4.9A)
None
 1.07A 1rjdB-3l6cA:
undetectable		 1rjdB-3l6cA:
23.37
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.
1RJD_C_SAMC803_0
(CARBOXY METHYL
TRANSFERASE FOR
PROTEIN PHOSPHATASE
2A CATALYTIC SUBUNIT)		 3l6c SERINE RACEMASE
(Rattus
norvegicus) 		5 / 12 ILE A  57
THR A  52
ALA A 117
GLY A  85
LEU A  91
 None
None
None
MLI  A 341 ( 4.9A)
None
 1.06A 1rjdC-3l6cA:
2.8		 1rjdC-3l6cA:
23.37
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.
1RU9_H_BEZH601_0
(IMMUNOGLOBULIN
IGG2A, HEAVY CHAIN
IMMUNOGLOBULIN
IGG2A, LIGHT CHAIN)		 2ri6 2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE
(Paraburkholderia
xenovorans) 		5 / 9 ALA A 112
ASN A 111
GLY A  43
PHE A  74
GLY A  47
 MLI  A   2 (-3.2A)
None
MLI  A   2 (-3.5A)
None
None
 1.48A 1ru9H-2ri6A:
0.0
1ru9L-2ri6A:
0.0		 1ru9H-2ri6A:
19.80
1ru9L-2ri6A:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RUA_H_BEZH601_0
(IMMUNOGLOBULIN
IGG2A, HEAVY CHAIN
IMMUNOGLOBULIN
IGG2A, LIGHT CHAIN)		 2ri6 2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE
(Paraburkholderia
xenovorans) 		5 / 10 ALA A 112
ASN A 111
GLY A  43
PHE A  74
GLY A  47
 MLI  A   2 (-3.2A)
None
MLI  A   2 (-3.5A)
None
None
 1.46A 1ruaH-2ri6A:
undetectable
1ruaL-2ri6A:
undetectable		 1ruaH-2ri6A:
19.80
1ruaL-2ri6A:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SV5_A_65BA600_0
(REVERSE
TRANSCRIPTASE)		 4lps HYDROGENASE/UREASE
NICKEL INCORPORATION
PROTEIN HYPB
(Helicobacter
pylori) 		5 / 10 LEU A 204
LYS A 205
VAL A 197
VAL A 179
LEU A 167
 None
MLI  A 309 (-3.3A)
None
None
None
 1.46A 1sv5A-4lpsA:
undetectable		 1sv5A-4lpsA:
18.18
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.
1T6Z_B_RBFB596_1
(RIBOFLAVIN
KINASE/FMN
ADENYLYLTRANSFERASE)		 5l6m RIBONUCLEASE VAPC
(Caulobacter
vibrioides) 		5 / 11 VAL B   9
VAL B 110
TYR B   3
LEU B  66
ILE B  31
 None
None
None
MLI  A 101 (-4.5A)
MLI  A 101 (-4.3A)
 1.36A 1t6zB-5l6mB:
undetectable		 1t6zB-5l6mB:
17.85
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.
1T9W_A_NFNA6001_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		 4cp8 ALLOPHANATE
HYDROLASE
(Pseudomonas
sp.
ADP) 		3 / 3 SER A 189
GLY A 188
ARG A 328
 MLI  A1466 (-2.3A)
MLI  A1466 (-4.0A)
MLI  A1466 (-3.3A)
 0.61A 1t9wA-4cp8A:
undetectable		 1t9wA-4cp8A:
19.81
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.
1UDT_A_VIAA1000_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 4ifp MALTOSE-BINDING
PERIPLASMIC
PROTEIN,NACHT, LRR
AND PYD
DOMAINS-CONTAINING
PROTEIN 1
(Escherichia
coli;
Homo
sapiens) 		5 / 12 HIS A 445
ILE A 383
VAL A 389
LEU A 396
PHE A 423
 MLI  A 502 (-4.1A)
None
None
None
None
 1.32A 1udtA-4ifpA:
undetectable		 1udtA-4ifpA:
20.67
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.
1USQ_A_CLMA1143_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 2ri6 2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE
(Paraburkholderia
xenovorans) 		4 / 7 GLY A  43
PRO A  44
ILE A 194
GLY A  45
 MLI  A   2 (-3.5A)
None
None
None
 0.78A 1usqA-2ri6A:
undetectable		 1usqA-2ri6A:
19.10
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.
1USQ_B_CLMB1143_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 2ri6 2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE
(Paraburkholderia
xenovorans) 		4 / 6 GLY A  43
PRO A  44
ILE A 194
GLY A  45
 MLI  A   2 (-3.5A)
None
None
None
 0.78A 1usqB-2ri6A:
undetectable		 1usqB-2ri6A:
19.10
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.
1USQ_C_CLMC1143_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 2ri6 2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE
(Paraburkholderia
xenovorans) 		4 / 6 GLY A  43
PRO A  44
ILE A 194
GLY A  45
 MLI  A   2 (-3.5A)
None
None
None
 0.79A 1usqC-2ri6A:
undetectable		 1usqC-2ri6A:
19.10
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.
1USQ_D_CLMD1142_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 2ri6 2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE
(Paraburkholderia
xenovorans) 		4 / 6 GLY A  43
PRO A  44
ILE A 194
GLY A  45
 MLI  A   2 (-3.5A)
None
None
None
 0.78A 1usqD-2ri6A:
undetectable		 1usqD-2ri6A:
19.10
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.
1USQ_E_CLME1143_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 2ri6 2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE
(Paraburkholderia
xenovorans) 		4 / 6 GLY A  43
PRO A  44
ILE A 194
GLY A  45
 MLI  A   2 (-3.5A)
None
None
None
 0.76A 1usqE-2ri6A:
undetectable		 1usqE-2ri6A:
19.10
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.
1USQ_F_CLMF1144_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 2ri6 2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE
(Paraburkholderia
xenovorans) 		4 / 7 GLY A  43
PRO A  44
ILE A 194
GLY A  45
 MLI  A   2 (-3.5A)
None
None
None
 0.77A 1usqF-2ri6A:
undetectable		 1usqF-2ri6A:
19.10
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.
1VPT_A_SAMA400_0
(VP39)		 4m9d ADENYLOSUCCINATE
SYNTHETASE
(Bacillus
anthracis) 		5 / 12 GLY A 221
GLY A  40
HIS A  41
VAL A 247
VAL A   7
 None
MLI  A 502 (-4.8A)
MLI  A 502 (-4.2A)
None
None
 1.04A 1vptA-4m9dA:
undetectable		 1vptA-4m9dA:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W6R_A_GNTA1536_1
(ACETYLCHOLINESTERASE)		 5w1u CARBOXYLIC ESTER
HYDROLASE
(Culex
quinquefasciatus) 		6 / 12 GLY A 108
GLY A 109
GLY A 110
SER A 191
PHE A 281
HIS A 442
 EPE  A 600 ( 3.9A)
EPE  A 600 (-3.0A)
EPE  A 600 ( 4.4A)
MLI  A 601 ( 3.8A)
MLI  A 601 (-3.7A)
EPE  A 600 ( 4.0A)
 0.84A 1w6rA-5w1uA:
40.9		 1w6rA-5w1uA:
29.88
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.
1W76_A_GNTA1538_1
(ACETYLCHOLINESTERASE)		 5w1u CARBOXYLIC ESTER
HYDROLASE
(Culex
quinquefasciatus) 		5 / 11 GLY A 109
GLY A 110
SER A 191
PHE A 281
HIS A 442
 EPE  A 600 (-3.0A)
EPE  A 600 ( 4.4A)
MLI  A 601 ( 3.8A)
MLI  A 601 (-3.7A)
EPE  A 600 ( 4.0A)
 0.89A 1w76A-5w1uA:
40.8		 1w76A-5w1uA:
29.88
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.
1W76_B_GNTB1538_1
(ACETYLCHOLINESTERASE)		 5w1u CARBOXYLIC ESTER
HYDROLASE
(Culex
quinquefasciatus) 		5 / 10 GLY A 108
GLY A 109
SER A 191
PHE A 281
HIS A 442
 EPE  A 600 ( 3.9A)
EPE  A 600 (-3.0A)
MLI  A 601 ( 3.8A)
MLI  A 601 (-3.7A)
EPE  A 600 ( 4.0A)
 0.80A 1w76B-5w1uA:
40.9		 1w76B-5w1uA:
29.88
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.
1XZ1_A_HLTA2001_1
(FERRITIN LIGHT CHAIN)		 4b2g GH3-1 AUXIN
CONJUGATING ENZYME
(Vitis
vinifera) 		4 / 4 LEU A 322
SER A 326
TYR A 325
LEU A 235
 None
None
MLI  A1598 (-4.3A)
None
 1.31A 1xz1A-4b2gA:
undetectable		 1xz1A-4b2gA:
13.70
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.
1XZ3_A_ICFA201_1
(FERRITIN LIGHT CHAIN)		 4b2g GH3-1 AUXIN
CONJUGATING ENZYME
(Vitis
vinifera) 		4 / 4 LEU A 322
SER A 326
TYR A 325
LEU A 235
 None
None
MLI  A1598 (-4.3A)
None
 1.33A 1xz3A-4b2gA:
undetectable		 1xz3A-4b2gA:
13.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YKI_A_NFZA1219_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 3hzn OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE
(Salmonella
enterica) 		5 / 8 TYR A  68
ASN A  71
LYS A  74
GLU A 165
GLY A 166
 None
MLI  A 226 (-2.8A)
MLI  A 226 (-3.4A)
None
MLI  A 226 (-3.3A)
 0.75A 1ykiA-3hznA:
33.5
1ykiB-3hznA:
33.7		 1ykiA-3hznA:
88.48
1ykiB-3hznA:
88.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YKI_B_NFZB2219_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 3hzn OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE
(Salmonella
enterica) 		5 / 8 TYR A  68
ASN A  71
LYS A  74
GLU A 165
GLY A 166
 None
MLI  A 226 (-2.8A)
MLI  A 226 (-3.4A)
None
MLI  A 226 (-3.3A)
 0.77A 1ykiA-3hznA:
33.5
1ykiB-3hznA:
33.7		 1ykiA-3hznA:
88.48
1ykiB-3hznA:
88.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YKI_C_NFZC3219_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 3hzn OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE
(Salmonella
enterica) 		5 / 8 TYR A  68
ASN A  71
LYS A  74
GLU A 165
GLY A 166
 None
MLI  A 226 (-2.8A)
MLI  A 226 (-3.4A)
None
MLI  A 226 (-3.3A)
 0.76A 1ykiC-3hznA:
33.6
1ykiD-3hznA:
33.5		 1ykiC-3hznA:
88.48
1ykiD-3hznA:
88.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YKI_D_NFZD4219_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 3hzn OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE
(Salmonella
enterica) 		5 / 8 TYR A  68
ASN A  71
LYS A  74
GLU A 165
GLY A 166
 None
MLI  A 226 (-2.8A)
MLI  A 226 (-3.4A)
None
MLI  A 226 (-3.3A)
 0.74A 1ykiC-3hznA:
33.6
1ykiD-3hznA:
33.5		 1ykiC-3hznA:
88.48
1ykiD-3hznA:
88.48
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.
1ZGY_A_BRLA503_2
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)		 5ecu CELLULASE
(Caldicellulosiru
ptor
saccharolyticus) 		4 / 5 ILE A 359
ILE A 371
ILE A 376
LEU A 306
 MLI  A 633 (-3.9A)
None
None
None
 0.89A 1zgyA-5ecuA:
undetectable		 1zgyA-5ecuA:
18.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A3A_A_TEPA1433_1
(CHITINASE)		 4w5u CHITINASE
(Streptomyces
thermoviolaceus) 		9 / 11 TYR B  46
PHE B  78
GLY B 141
ASP B 181
GLU B 183
MET B 248
TYR B 250
ASP B 251
TYR B 305
 None
None
None
None
None
None
None
MLI  B 501 ( 4.7A)
None
 0.61A 2a3aA-4w5uB:
12.0		 2a3aA-4w5uB:
32.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A3A_A_TEPA1433_1
(CHITINASE)		 4w5u CHITINASE
(Streptomyces
thermoviolaceus) 		9 / 11 TYR B  46
PHE B  78
GLY B 141
ASP B 181
GLU B 183
TYR B 250
ASP B 251
TYR B 305
TRP B 388
 None
None
None
None
None
None
MLI  B 501 ( 4.7A)
None
None
 0.79A 2a3aA-4w5uB:
12.0		 2a3aA-4w5uB:
32.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A3A_A_TEPA1433_1
(CHITINASE)		 4w5u CHITINASE
(Streptomyces
thermoviolaceus) 		9 / 11 TYR B  46
PHE B  78
GLY B 141
TRP B 142
ASP B 181
GLU B 183
MET B 248
TYR B 250
ASP B 251
 None
None
None
MLI  B 501 ( 3.8A)
None
None
None
None
MLI  B 501 ( 4.7A)
 0.73A 2a3aA-4w5uB:
12.0		 2a3aA-4w5uB:
32.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A3A_A_TEPA1433_1
(CHITINASE)		 4w5u CHITINASE
(Streptomyces
thermoviolaceus) 		9 / 11 TYR B  46
PHE B  78
GLY B 141
TRP B 142
ASP B 181
GLU B 183
TYR B 250
ASP B 251
TRP B 388
 None
None
None
MLI  B 501 ( 3.8A)
None
None
None
MLI  B 501 ( 4.7A)
None
 0.88A 2a3aA-4w5uB:
12.0		 2a3aA-4w5uB:
32.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A3A_A_TEPA1435_1
(CHITINASE)		 4w5u CHITINASE
(Streptomyces
thermoviolaceus) 		3 / 3 TRP B 142
GLU B 183
TYR B 184
 MLI  B 501 ( 3.8A)
None
None
 0.48A 2a3aA-4w5uB:
17.0		 2a3aA-4w5uB:
32.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A3A_B_TEPB2433_1
(CHITINASE)		 4w5u CHITINASE
(Streptomyces
thermoviolaceus) 		7 / 9 PHE B  78
GLY B 141
GLU B 183
MET B 248
TYR B 250
ASP B 251
TYR B 305
 None
None
None
None
None
MLI  B 501 ( 4.7A)
None
 0.41A 2a3aB-4w5uB:
44.5		 2a3aB-4w5uB:
32.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A3A_B_TEPB2433_1
(CHITINASE)		 4w5u CHITINASE
(Streptomyces
thermoviolaceus) 		7 / 9 PHE B  78
GLY B 141
GLU B 183
TYR B 250
ASP B 251
TYR B 305
TRP B 388
 None
None
None
None
MLI  B 501 ( 4.7A)
None
None
 0.68A 2a3aB-4w5uB:
44.5		 2a3aB-4w5uB:
32.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A3B_A_CFFA1435_1
(CHITINASE)		 4w5u CHITINASE
(Streptomyces
thermoviolaceus) 		8 / 11 PHE B  78
GLY B 141
TRP B 142
ASP B 181
GLU B 183
ASP B 251
TYR B 305
TRP B 388
 None
None
MLI  B 501 ( 3.8A)
None
None
MLI  B 501 ( 4.7A)
None
None
 1.11A 2a3bA-4w5uB:
44.4		 2a3bA-4w5uB:
32.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A3B_A_CFFA1435_1
(CHITINASE)		 4w5u CHITINASE
(Streptomyces
thermoviolaceus) 		9 / 11 TYR B  46
PHE B  78
GLY B 141
ASP B 181
GLU B 183
MET B 248
TYR B 250
ASP B 251
TYR B 305
 None
None
None
None
None
None
None
MLI  B 501 ( 4.7A)
None
 0.86A 2a3bA-4w5uB:
44.4		 2a3bA-4w5uB:
32.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A3B_A_CFFA1435_1
(CHITINASE)		 4w5u CHITINASE
(Streptomyces
thermoviolaceus) 		9 / 11 TYR B  46
PHE B  78
GLY B 141
ASP B 181
GLU B 183
TYR B 250
ASP B 251
TYR B 305
TRP B 388
 None
None
None
None
None
None
MLI  B 501 ( 4.7A)
None
None
 1.02A 2a3bA-4w5uB:
44.4		 2a3bA-4w5uB:
32.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A3B_B_CFFB2434_1
(CHITINASE)		 4w5u CHITINASE
(Streptomyces
thermoviolaceus) 		4 / 6 GLU B 183
TYR B 184
ASP B 251
ARG B 307
 None
None
MLI  B 501 ( 4.7A)
None
 0.74A 2a3bB-4w5uB:
44.4		 2a3bB-4w5uB:
32.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A3B_B_CFFB2435_1
(CHITINASE)		 4w5u CHITINASE
(Streptomyces
thermoviolaceus) 		7 / 10 PHE B  78
GLY B 141
ASP B 181
GLU B 183
ASP B 251
TYR B 305
TRP B 388
 None
None
None
None
MLI  B 501 ( 4.7A)
None
None
 1.03A 2a3bB-4w5uB:
44.4		 2a3bB-4w5uB:
32.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A3B_B_CFFB2435_1
(CHITINASE)		 4w5u CHITINASE
(Streptomyces
thermoviolaceus) 		8 / 10 PHE B  78
GLY B 141
ASP B 181
GLU B 183
MET B 248
TYR B 250
ASP B 251
TYR B 305
 None
None
None
None
None
None
MLI  B 501 ( 4.7A)
None
 0.82A 2a3bB-4w5uB:
44.4		 2a3bB-4w5uB:
32.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A3C_A_PNXA1434_1
(CHITINASE)		 4w5u CHITINASE
(Streptomyces
thermoviolaceus) 		9 / 12 TYR B  46
PHE B  78
GLY B 141
ASP B 181
GLU B 183
TYR B 250
ASP B 251
TYR B 305
TRP B 388
 None
None
None
None
None
None
MLI  B 501 ( 4.7A)
None
None
 1.02A 2a3cA-4w5uB:
17.2		 2a3cA-4w5uB:
32.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A3C_A_PNXA1434_1
(CHITINASE)		 4w5u CHITINASE
(Streptomyces
thermoviolaceus) 		10 / 12 TYR B  46
TRP B  50
PHE B  78
GLY B 141
ASP B 181
GLU B 183
MET B 248
TYR B 250
ASP B 251
TYR B 305
 None
None
None
None
None
None
None
None
MLI  B 501 ( 4.7A)
None
 0.84A 2a3cA-4w5uB:
17.2		 2a3cA-4w5uB:
32.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3C_A_PNXA1435_1
(CHITINASE)		 4cp8 ALLOPHANATE
HYDROLASE
(Pseudomonas
sp.
ADP) 		4 / 6 TYR A 320
GLY A 190
SER A 166
ARG A 191
 MLI  A1466 (-4.5A)
None
None
None
 1.38A 2a3cA-4cp8A:
undetectable		 2a3cA-4cp8A:
22.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A3C_B_PNXB2433_1
(CHITINASE)		 4w5u CHITINASE
(Streptomyces
thermoviolaceus) 		9 / 12 PHE B  78
GLY B 141
THR B 143
ASP B 181
GLU B 183
TYR B 250
ASP B 251
TYR B 305
TRP B 388
 None
None
None
None
None
None
MLI  B 501 ( 4.7A)
None
None
 0.96A 2a3cB-4w5uB:
44.5		 2a3cB-4w5uB:
32.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A3C_B_PNXB2433_1
(CHITINASE)		 4w5u CHITINASE
(Streptomyces
thermoviolaceus) 		10 / 12 TRP B  50
PHE B  78
GLY B 141
THR B 143
ASP B 181
GLU B 183
MET B 248
TYR B 250
ASP B 251
TYR B 305
 None
None
None
None
None
None
None
None
MLI  B 501 ( 4.7A)
None
 0.78A 2a3cB-4w5uB:
44.5		 2a3cB-4w5uB:
32.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ACE_A_ACHA998_0
(ACETYLCHOLINESTERASE)		 5w1u CARBOXYLIC ESTER
HYDROLASE
(Culex
quinquefasciatus) 		5 / 9 GLY A 108
GLY A 109
SER A 191
ALA A 192
HIS A 442
 EPE  A 600 ( 3.9A)
EPE  A 600 (-3.0A)
MLI  A 601 ( 3.8A)
None
EPE  A 600 ( 4.0A)
 0.84A 2aceA-5w1uA:
40.9		 2aceA-5w1uA:
30.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ACE_A_ACHA998_0
(ACETYLCHOLINESTERASE)		 5w1u CARBOXYLIC ESTER
HYDROLASE
(Culex
quinquefasciatus) 		6 / 9 GLY A 109
GLY A 110
SER A 191
ALA A 192
TRP A 224
HIS A 442
 EPE  A 600 (-3.0A)
EPE  A 600 ( 4.4A)
MLI  A 601 ( 3.8A)
None
MLI  A 601 (-3.4A)
EPE  A 600 ( 4.0A)
 0.46A 2aceA-5w1uA:
40.9		 2aceA-5w1uA:
30.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ACE_A_ACHA998_0
(ACETYLCHOLINESTERASE)		 5w1u CARBOXYLIC ESTER
HYDROLASE
(Culex
quinquefasciatus) 		5 / 9 GLY A 110
SER A 191
ALA A 192
TRP A 224
PHE A 281
 EPE  A 600 ( 4.4A)
MLI  A 601 ( 3.8A)
None
MLI  A 601 (-3.4A)
MLI  A 601 (-3.7A)
 0.87A 2aceA-5w1uA:
40.9		 2aceA-5w1uA:
30.17
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.
2B25_B_SAMB602_0
(HYPOTHETICAL PROTEIN)		 3f4w PUTATIVE HEXULOSE 6
PHOSPHATE SYNTHASE
(Salmonella
enterica) 		5 / 12 THR A 137
GLY A 187
SER A 188
GLY A 167
ILE A  28
 MLI  A 300 ( 4.6A)
MLI  A 300 (-3.3A)
None
MLI  A 300 (-3.5A)
None
 1.01A 2b25B-3f4wA:
undetectable		 2b25B-3f4wA:
20.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DDW_B_PXLB1005_1
(PYRIDOXINE KINASE)		 4cp8 ALLOPHANATE
HYDROLASE
(Pseudomonas
sp.
ADP) 		4 / 7 LEU A 388
THR A 390
GLY A 190
ASP A 185
 None
None
None
MLI  A1466 ( 4.9A)
 0.86A 2ddwB-4cp8A:
undetectable		 2ddwB-4cp8A:
19.26
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.
2DDW_B_PXLB1005_1
(PYRIDOXINE KINASE)		 4gys ALLOPHANATE
HYDROLASE
(Granulibacter
bethesdensis) 		4 / 7 LEU A 367
THR A 369
GLY A 173
ASP A 168
 None
None
None
MLI  A1000 ( 4.7A)
 0.96A 2ddwB-4gysA:
undetectable		 2ddwB-4gysA:
19.36
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.
2DG3_A_RAPA501_1
(FK506-BINDING
PROTEIN 1A)		 4dxe ACYL-CARRIER-PROTEIN
SYNTHASE
(Staphylococcus
aureus) 		5 / 11 PHE A  38
GLU A  44
ILE A  15
HIS A 103
ILE A 101
 None
None
None
MLI  A 201 (-4.4A)
MLI  A 201 ( 4.1A)
 1.27A 2dg3A-4dxeA:
undetectable		 2dg3A-4dxeA:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DG4_A_RAPA501_1
(FK506-BINDING
PROTEIN 1A)		 4dxe ACYL-CARRIER-PROTEIN
SYNTHASE
(Staphylococcus
aureus) 		5 / 11 PHE A  38
GLU A  44
ILE A  15
HIS A 103
ILE A 101
 None
None
None
MLI  A 201 (-4.4A)
MLI  A 201 ( 4.1A)
 1.23A 2dg4A-4dxeA:
undetectable		 2dg4A-4dxeA:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FK8_A_SAMA302_1
(METHOXY MYCOLIC ACID
SYNTHASE 4)		 6b3b APRA
METHYLTRANSFERASE 1
(Moorea
bouillonii) 		3 / 3 SER A 447
THR A 202
GLN A 248
 None
MLI  A 703 ( 4.6A)
GOL  A 704 ( 4.7A)
 0.80A 2fk8A-6b3bA:
12.2		 2fk8A-6b3bA:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FN1_A_SALA506_1
(SALICYLATE
SYNTHETASE, IRP9)		 4m9d ADENYLOSUCCINATE
SYNTHETASE
(Bacillus
anthracis) 		5 / 11 GLU A  14
GLY A  17
THR A  20
GLY A  40
GLU A 220
 MLI  A 502 (-4.7A)
MLI  A 502 (-3.2A)
None
MLI  A 502 (-4.8A)
None
 1.18A 2fn1A-4m9dA:
undetectable		 2fn1A-4m9dA:
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.
2FN1_B_SALB503_1
(SALICYLATE
SYNTHETASE, IRP9)		 4m9d ADENYLOSUCCINATE
SYNTHETASE
(Bacillus
anthracis) 		5 / 11 GLU A  14
GLY A  17
THR A  20
GLY A  40
GLU A 220
 MLI  A 502 (-4.7A)
MLI  A 502 (-3.2A)
None
MLI  A 502 (-4.8A)
None
 1.19A 2fn1B-4m9dA:
undetectable		 2fn1B-4m9dA:
21.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HA4_B_ACTB601_0
(ACETYLCHOLINESTERASE)		 5w1u CARBOXYLIC ESTER
HYDROLASE
(Culex
quinquefasciatus) 		5 / 7 GLY A 109
GLY A 110
ALA A 192
TRP A 224
HIS A 442
 EPE  A 600 (-3.0A)
EPE  A 600 ( 4.4A)
None
MLI  A 601 (-3.4A)
EPE  A 600 ( 4.0A)
 0.27A 2ha4B-5w1uA:
40.5		 2ha4B-5w1uA:
31.94
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.
2JKJ_A_CLMA1141_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 2ri6 2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE
(Paraburkholderia
xenovorans) 		4 / 6 GLY A  43
PRO A  44
ILE A 194
GLY A  45
 MLI  A   2 (-3.5A)
None
None
None
 0.78A 2jkjA-2ri6A:
undetectable		 2jkjA-2ri6A:
19.10
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.
2JKJ_B_CLMB1141_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 2ri6 2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE
(Paraburkholderia
xenovorans) 		4 / 6 GLY A  43
PRO A  44
ILE A 194
GLY A  45
 MLI  A   2 (-3.5A)
None
None
None
 0.79A 2jkjB-2ri6A:
undetectable		 2jkjB-2ri6A:
19.10
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.
2JKJ_C_CLMC1141_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 2ri6 2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE
(Paraburkholderia
xenovorans) 		4 / 6 GLY A  43
PRO A  44
ILE A 194
GLY A  45
 MLI  A   2 (-3.5A)
None
None
None
 0.79A 2jkjC-2ri6A:
undetectable		 2jkjC-2ri6A:
19.10
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.
2JKJ_E_CLME1141_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 2ri6 2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE
(Paraburkholderia
xenovorans) 		4 / 7 GLY A  43
PRO A  44
ILE A 194
GLY A  45
 MLI  A   2 (-3.5A)
None
None
None
 0.77A 2jkjE-2ri6A:
undetectable		 2jkjE-2ri6A:
19.10
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.
2JKL_A_CLMA1144_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 2ri6 2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE
(Paraburkholderia
xenovorans) 		4 / 7 GLY A  43
PRO A  44
ILE A 194
GLY A  45
 MLI  A   2 (-3.5A)
None
None
None
 0.78A 2jklA-2ri6A:
undetectable		 2jklA-2ri6A:
19.10
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.
2JKL_B_CLMB1144_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 2ri6 2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE
(Paraburkholderia
xenovorans) 		4 / 6 GLY A  43
PRO A  44
ILE A 194
GLY A  45
 MLI  A   2 (-3.5A)
None
None
None
 0.77A 2jklB-2ri6A:
undetectable		 2jklB-2ri6A:
19.10
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.
2JKL_C_CLMC1143_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 2ri6 2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE
(Paraburkholderia
xenovorans) 		4 / 7 GLY A  43
PRO A  44
ILE A 194
GLY A  45
 MLI  A   2 (-3.5A)
None
None
None
 0.79A 2jklC-2ri6A:
undetectable		 2jklC-2ri6A:
19.10
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.
2JKL_E_CLME1143_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 2ri6 2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE
(Paraburkholderia
xenovorans) 		4 / 7 GLY A  43
PRO A  44
ILE A 194
GLY A  45
 MLI  A   2 (-3.5A)
None
None
None
 0.77A 2jklE-2ri6A:
undetectable		 2jklE-2ri6A:
19.10
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.
2JKL_F_CLMF1143_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 2ri6 2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE
(Paraburkholderia
xenovorans) 		4 / 7 GLY A  43
PRO A  44
ILE A 194
GLY A  45
 MLI  A   2 (-3.5A)
None
None
None
 0.78A 2jklF-2ri6A:
undetectable		 2jklF-2ri6A:
19.10
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.
2KAW_A_SUZA91_1
(SEGMENT POLARITY
PROTEIN DISHEVELLED
HOMOLOG DVL-1)		 3mao METHIONINE-R-SULFOXI
DE REDUCTASE B1
(Homo
sapiens) 		5 / 11 LEU A  78
GLY A  79
ILE A  96
SER A  95
VAL A  55
 None
None
None
MLI  A   4 (-2.5A)
None
 1.03A 2kawA-3maoA:
undetectable		 2kawA-3maoA:
18.52
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.
2OZ7_A_CA4A1_2
(ANDROGEN RECEPTOR)		 4otk MYCOBACTERIAL ENZYME
RV2971
(Mycobacterium
tuberculosis) 		4 / 6 LEU A 203
TRP A 226
MET A 260
LEU A 266
 MLI  A 301 (-4.7A)
None
None
None
 1.36A 2oz7A-4otkA:
undetectable		 2oz7A-4otkA:
20.62
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.
2PYM_A_1UNA1001_3
(PROTEASE RETROPEPSIN)		 4irl MALTOSE-BINDING
PERIPLASMIC PROTEIN,
NOVEL PROTEIN
SIMILAR TO
VERTEBRATE GUANYLATE
BINDING PROTEIN
FAMILY
(Danio
rerio;
Escherichia
coli) 		3 / 3 ASP A 121
ASN A 119
THR A 246
 None
None
MLI  A 502 ( 4.9A)
 0.72A 2pymB-4irlA:
undetectable		 2pymB-4irlA:
12.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QWX_A_ML1A233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 3q60 ROP5B
(Toxoplasma
gondii) 		4 / 8 PHE A 265
PHE A 249
GLY A 243
MET A 206
 MLI  A 601 (-4.8A)
None
ATP  A 600 (-3.3A)
None
 0.90A 2qwxA-3q60A:
undetectable
2qwxB-3q60A:
undetectable		 2qwxA-3q60A:
20.59
2qwxB-3q60A:
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.
2QX4_A_ML1A233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 3q60 ROP5B
(Toxoplasma
gondii) 		4 / 8 PHE A 265
PHE A 249
GLY A 243
MET A 206
 MLI  A 601 (-4.8A)
None
ATP  A 600 (-3.3A)
None
 0.90A 2qx4A-3q60A:
undetectable
2qx4B-3q60A:
undetectable		 2qx4A-3q60A:
20.43
2qx4B-3q60A:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QX4_A_ML1A233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 5evm FUSION GLYCOPROTEIN
F0
(Nipah
henipavirus) 		4 / 8 ILE A  59
PHE A 214
GLY A 236
GLY A 237
 None
None
MLI  A 611 ( 4.5A)
None
 0.73A 2qx4A-5evmA:
undetectable
2qx4B-5evmA:
undetectable		 2qx4A-5evmA:
17.51
2qx4B-5evmA:
17.51
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.
2QX6_A_ML1A233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 4mco TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT
(Rhodoferax
ferrireducens) 		4 / 6 PHE A 219
ILE A 200
GLY A 176
GLY A 177
 None
None
None
MLI  A 401 ( 4.9A)
 0.73A 2qx6A-4mcoA:
undetectable
2qx6B-4mcoA:
undetectable		 2qx6A-4mcoA:
21.08
2qx6B-4mcoA:
21.08
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.
2QX6_A_ML1A233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 5evm FUSION GLYCOPROTEIN
F0
(Nipah
henipavirus) 		4 / 6 ILE A  59
PHE A 214
GLY A 236
GLY A 237
 None
None
MLI  A 611 ( 4.5A)
None
 0.74A 2qx6A-5evmA:
undetectable
2qx6B-5evmA:
undetectable		 2qx6A-5evmA:
17.51
2qx6B-5evmA:
17.51
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.
2WEY_A_EV1A1771_1
(CAMP AND
CAMP-INHIBITED CGMP
3', 5'-CYCLIC
PHOSPHODIESTERASE)		 2x5t ORF 131
(Sulfolobus
islandicus
rod-shaped
virus
1) 		5 / 12 LEU A  87
LEU A  51
VAL A  36
ILE A   7
PHE A  79
 None
None
None
None
MLI  A1096 (-4.7A)
 1.18A 2weyA-2x5tA:
undetectable		 2weyA-2x5tA:
15.22
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.
2X7H_A_PFNA1372_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		 3ble CITRAMALATE SYNTHASE
FROM LEPTOSPIRA
INTERROGANS
(Leptospira
interrogans) 		5 / 11 TYR A 144
LEU A 103
LEU A 101
LEU A 104
HIS A 207
 MLI  A 701 ( 4.0A)
None
None
MLI  A 701 ( 4.9A)
ZN  A1003 ( 3.4A)
 1.45A 2x7hA-3bleA:
0.4
2x7hB-3bleA:
0.2		 2x7hA-3bleA:
23.90
2x7hB-3bleA:
23.90
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.
2X7H_A_PFNA1375_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		 2ynq ESSB
(Geobacillus
thermodenitrific
ans) 		4 / 5 SER A 285
TYR A 281
PHE A 255
VAL A 263
 NA  A1392 ( 4.9A)
MLI  A1391 (-4.7A)
None
None
 1.49A 2x7hA-2ynqA:
undetectable		 2x7hA-2ynqA:
17.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X7H_B_PFNB1372_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		 2ynq ESSB
(Geobacillus
thermodenitrific
ans) 		4 / 5 SER A 285
TYR A 281
PHE A 255
VAL A 263
 NA  A1392 ( 4.9A)
MLI  A1391 (-4.7A)
None
None
 1.48A 2x7hB-2ynqA:
undetectable		 2x7hB-2ynqA:
17.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X7H_B_PFNB1374_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		 3ble CITRAMALATE SYNTHASE
FROM LEPTOSPIRA
INTERROGANS
(Leptospira
interrogans) 		4 / 4 TYR A 144
LEU A 103
LEU A 104
HIS A 207
 MLI  A 701 ( 4.0A)
None
MLI  A 701 ( 4.9A)
ZN  A1003 ( 3.4A)
 1.36A 2x7hB-3bleA:
undetectable		 2x7hB-3bleA:
23.90
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.
2XXG_A_CUA1338_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 5ebb ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A
(Homo
sapiens) 		3 / 3 ASP A 110
HIS A 152
HIS A  47
 ZN  A 701 (-2.5A)
MLI  A 706 (-3.9A)
ZN  A 702 ( 3.4A)
 0.65A 2xxgA-5ebbA:
undetectable		 2xxgA-5ebbA:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XXG_C_CUC1339_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 5ebb ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A
(Homo
sapiens) 		3 / 3 ASP A 110
HIS A 152
HIS A  47
 ZN  A 701 (-2.5A)
MLI  A 706 (-3.9A)
ZN  A 702 ( 3.4A)
 0.65A 2xxgC-5ebbA:
undetectable		 2xxgC-5ebbA:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XZ5_C_ACHC1210_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 5jj2 A-KINASE ANCHOR
PROTEIN 7 ISOFORM
GAMMA
(Homo
sapiens) 		4 / 8 TYR A 275
CYH A 263
CYH A 277
TYR A 274
 MLI  A 303 ( 4.5A)
None
None
None
 1.27A 2xz5A-5jj2A:
undetectable
2xz5C-5jj2A:
undetectable		 2xz5A-5jj2A:
17.99
2xz5C-5jj2A:
17.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XZ5_D_ACHD1210_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 5jj2 A-KINASE ANCHOR
PROTEIN 7 ISOFORM
GAMMA
(Homo
sapiens) 		4 / 8 TYR A 275
CYH A 263
CYH A 277
TYR A 274
 MLI  A 303 ( 4.5A)
None
None
None
 1.27A 2xz5C-5jj2A:
undetectable
2xz5D-5jj2A:
undetectable		 2xz5C-5jj2A:
17.99
2xz5D-5jj2A:
17.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y00_A_Y00A601_1
(BETA-1 ADRENERGIC
RECEPTOR)		 4otk MYCOBACTERIAL ENZYME
RV2971
(Mycobacterium
tuberculosis) 		5 / 12 VAL A 272
TRP A 116
VAL A 145
ASN A 184
TYR A 194
 None
None
None
None
MLI  A 302 (-4.1A)
 1.20A 2y00A-4otkA:
undetectable		 2y00A-4otkA:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y00_B_Y00B601_1
(BETA-1 ADRENERGIC
RECEPTOR)		 4otk MYCOBACTERIAL ENZYME
RV2971
(Mycobacterium
tuberculosis) 		5 / 12 VAL A 272
TRP A 116
VAL A 145
ASN A 184
TYR A 194
 None
None
None
None
MLI  A 302 (-4.1A)
 1.19A 2y00B-4otkA:
undetectable		 2y00B-4otkA:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y01_B_Y00B601_1
(BETA-1 ADRENERGIC
RECEPTOR)		 4otk MYCOBACTERIAL ENZYME
RV2971
(Mycobacterium
tuberculosis) 		5 / 12 VAL A 272
TRP A 116
VAL A 145
ASN A 184
TYR A 194
 None
None
None
None
MLI  A 302 (-4.1A)
 1.24A 2y01B-4otkA:
undetectable		 2y01B-4otkA:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YVL_A_SAMA601_0
(HYPOTHETICAL PROTEIN)		 3l6c SERINE RACEMASE
(Rattus
norvegicus) 		5 / 12 THR A  81
ILE A 125
GLY A  85
GLY A  88
ALA A 123
 None
None
MLI  A 341 ( 4.9A)
None
None
 0.91A 2yvlA-3l6cA:
2.7		 2yvlA-3l6cA:
22.05
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.
2YVL_A_SAMA601_0
(HYPOTHETICAL PROTEIN)		 3l6r SERINE RACEMASE
(Homo
sapiens) 		5 / 12 THR A  81
ILE A 125
GLY A  85
GLY A  88
ALA A 123
 None
None
MLI  A 347 ( 4.8A)
None
None
 0.89A 2yvlA-3l6rA:
2.8		 2yvlA-3l6rA:
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.
2YVL_B_SAMB602_0
(HYPOTHETICAL PROTEIN)		 3l6c SERINE RACEMASE
(Rattus
norvegicus) 		5 / 12 THR A  81
ILE A 125
GLY A  85
GLY A  88
ALA A 123
 None
None
MLI  A 341 ( 4.9A)
None
None
 0.90A 2yvlB-3l6cA:
2.3		 2yvlB-3l6cA:
22.05
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.
2YVL_B_SAMB602_0
(HYPOTHETICAL PROTEIN)		 3l6r SERINE RACEMASE
(Homo
sapiens) 		5 / 12 THR A  81
ILE A 125
GLY A  85
GLY A  88
ALA A 123
 None
None
MLI  A 347 ( 4.8A)
None
None
 0.88A 2yvlB-3l6rA:
2.4		 2yvlB-3l6rA:
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.
2YVL_D_SAMD603_0
(HYPOTHETICAL PROTEIN)		 3l6c SERINE RACEMASE
(Rattus
norvegicus) 		5 / 12 THR A  81
ILE A 125
GLY A  85
GLY A  88
ALA A 123
 None
None
MLI  A 341 ( 4.9A)
None
None
 0.87A 2yvlD-3l6cA:
2.1		 2yvlD-3l6cA:
22.05
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.
2YVL_D_SAMD603_0
(HYPOTHETICAL PROTEIN)		 3l6r SERINE RACEMASE
(Homo
sapiens) 		5 / 12 THR A  81
ILE A 125
GLY A  85
GLY A  88
ALA A 123
 None
None
MLI  A 347 ( 4.8A)
None
None
 0.84A 2yvlD-3l6rA:
2.4		 2yvlD-3l6rA:
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.
2ZM7_A_ACAA501_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 5i6e ACETYL-COA
CARBOXYLASE
(Saccharomyces
cerevisiae) 		4 / 7 TYR A1275
TYR A1272
ILE A1341
HIS A1321
 None
MLI  A1501 (-4.4A)
None
None
 1.06A 2zm7A-5i6eA:
undetectable		 2zm7A-5i6eA:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZW9_A_SAMA801_0
(LEUCINE CARBOXYL
METHYLTRANSFERASE 2)		 4kh3 ANTIGEN 43
(Escherichia
coli) 		5 / 12 GLN A 225
GLY A 223
ASP A 222
ASN A 247
TYR A 207
 None
None
None
MLI  A 605 (-2.6A)
None
 1.12A 2zw9A-4kh3A:
undetectable		 2zw9A-4kh3A:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZW9_B_SAMB801_0
(LEUCINE CARBOXYL
METHYLTRANSFERASE 2)		 4kh3 ANTIGEN 43
(Escherichia
coli) 		5 / 12 GLN A 225
GLY A 223
ASP A 222
ASN A 247
TYR A 207
 None
None
None
MLI  A 605 (-2.6A)
None
 1.18A 2zw9B-4kh3A:
undetectable		 2zw9B-4kh3A:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZWE_B_DAHB98_1
(TYROSINASE
MELC)		 5ebb ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A
(Homo
sapiens) 		5 / 11 HIS A 295
HIS A 152
HIS A 114
VAL A 115
PRO A  50
 ZN  A 702 ( 3.4A)
MLI  A 706 (-3.9A)
MLI  A 706 (-3.9A)
None
NAG  A 704 ( 4.7A)
 1.34A 2zweA-5ebbA:
undetectable
2zweB-5ebbA:
undetectable		 2zweA-5ebbA:
20.24
2zweB-5ebbA:
13.69
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.
2ZWF_B_DAHB98_1
(TYROSINASE
MELC)		 5ebb ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A
(Homo
sapiens) 		5 / 11 HIS A 295
HIS A 152
HIS A 114
VAL A 115
PRO A  50
 ZN  A 702 ( 3.4A)
MLI  A 706 (-3.9A)
MLI  A 706 (-3.9A)
None
NAG  A 704 ( 4.7A)
 1.36A 2zwfA-5ebbA:
undetectable
2zwfB-5ebbA:
undetectable		 2zwfA-5ebbA:
20.24
2zwfB-5ebbA:
13.69
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.
2ZWG_B_DAHB98_1
(TYROSINASE
MELC)		 5ebb ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A
(Homo
sapiens) 		5 / 11 HIS A 295
HIS A 152
HIS A 114
VAL A 115
PRO A  50
 ZN  A 702 ( 3.4A)
MLI  A 706 (-3.9A)
MLI  A 706 (-3.9A)
None
NAG  A 704 ( 4.7A)
 1.36A 2zwgA-5ebbA:
undetectable
2zwgB-5ebbA:
0.0		 2zwgA-5ebbA:
20.24
2zwgB-5ebbA:
13.69
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.
3ABL_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		 2x5t ORF 131
(Sulfolobus
islandicus
rod-shaped
virus
1) 		4 / 7 ILE A   8
LEU A   4
THR A  52
LEU A  51
 None
MLI  A1096 (-3.9A)
None
None
 1.06A 3ablA-2x5tA:
undetectable
3ablJ-2x5tA:
undetectable		 3ablA-2x5tA:
10.04
3ablJ-2x5tA:
19.57
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.
3ADS_A_IMNA2_2
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 4ryf ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT
(Listeria
monocytogenes) 		4 / 6 ILE H  77
ILE H 146
LEU H  32
MET H  99
 None
None
None
MLI  H 301 (-3.3A)
 1.09A 3adsA-4ryfH:
undetectable		 3adsA-4ryfH:
23.29
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.
3AIA_A_SAMA206_0
(UPF0217 PROTEIN
MJ1640)		 3p9z UROPORPHYRINOGEN III
COSYNTHASE (HEMD)
(Helicobacter
pylori) 		4 / 6 LEU A 126
GLY A 130
LEU A 122
SER A 121
 None
None
MLI  A 301 (-4.9A)
None
 0.93A 3aiaA-3p9zA:
undetectable		 3aiaA-3p9zA:
22.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ARQ_A_DM5A606_1
(CHITINASE A)		 4w5u CHITINASE
(Streptomyces
thermoviolaceus) 		5 / 6 TRP B 142
LYS B 229
ASP B 251
TRP B 256
ARG B 307
 MLI  B 501 ( 3.8A)
None
MLI  B 501 ( 4.7A)
MLI  B 501 ( 4.2A)
None
 0.82A 3arqA-4w5uB:
42.4		 3arqA-4w5uB:
30.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ARR_A_PNXA606_1
(CHITINASE A)		 4w5u CHITINASE
(Streptomyces
thermoviolaceus) 		5 / 7 TRP B 142
LYS B 229
ASP B 251
TRP B 256
ARG B 307
 MLI  B 501 ( 3.8A)
None
MLI  B 501 ( 4.7A)
MLI  B 501 ( 4.2A)
None
 0.91A 3arrA-4w5uB:
43.4		 3arrA-4w5uB:
30.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ARU_A_PNXA606_1
(CHITINASE A)		 4w5u CHITINASE
(Streptomyces
thermoviolaceus) 		4 / 7 LYS B 229
ASP B 251
TRP B 256
ARG B 307
 None
MLI  B 501 ( 4.7A)
MLI  B 501 ( 4.2A)
None
 0.76A 3aruA-4w5uB:
42.9		 3aruA-4w5uB:
30.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BOG_C_DHIC32_0
(6.5 KDA GLYCINE-RICH
ANTIFREEZE PROTEIN)		 5xwz UNPLACED GENOMIC
SCAFFOLD
SUPERCONT1.36, WHOLE
GENOME SHOTGUN
SEQUENCE
(Cladophialophora
bantiana) 		4 / 6 PRO A 131
GLY A 103
GLY A 107
GLY A  35
 None
None
None
MLI  A 302 (-3.8A)
 0.46A 3bogA-5xwzA:
undetectable
3bogC-5xwzA:
undetectable		 3bogA-5xwzA:
undetectable
3bogC-5xwzA:
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.
3C0Z_A_SHHA301_1
(HISTONE DEACETYLASE
7A)		 5ebb ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A
(Homo
sapiens) 		4 / 5 HIS A  47
HIS A 114
ASP A 110
HIS A 152
 ZN  A 702 ( 3.4A)
MLI  A 706 (-3.9A)
ZN  A 701 (-2.5A)
MLI  A 706 (-3.9A)
 1.26A 3c0zA-5ebbA:
undetectable		 3c0zA-5ebbA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3D4S_A_TIMA401_2
(BETA-2 ADRENERGIC
RECEPTOR/T4-LYSOZYME
CHIMERA)		 3fnc PUTATIVE
ACETYLTRANSFERASE
(Listeria
innocua) 		3 / 3 THR A  27
SER A  23
PHE A  40
 None
None
MLI  A 161 (-4.8A)
 0.67A 3d4sA-3fncA:
undetectable		 3d4sA-3fncA:
16.27
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.
3DZG_B_NCAB302_0
(ADP-RIBOSYL CYCLASE
1)		 5e9h ISOCITRATE LYASE
(Fusarium
graminearum) 		4 / 7 TRP A 402
ASP A 254
SER A 434
THR A 466
 None
None
MLI  A 602 (-2.8A)
MLI  A 602 (-2.9A)
 1.08A 3dzgB-5e9hA:
2.4		 3dzgB-5e9hA:
18.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3FBW_A_BEZA501_0
(HALOALKANE
DEHALOGENASE)		 3u1t DMMA HALOALKANE
DEHALOGENASE
(unidentified) 		6 / 9 ASN A  78
ASP A 144
TRP A 145
PHE A 191
PHE A 210
HIS A 315
 CL  A 350 (-4.4A)
CL  A 350 ( 4.6A)
CL  A 350 (-4.7A)
None
CL  A 350 (-4.7A)
MLI  A 351 (-3.3A)
 0.78A 3fbwA-3u1tA:
46.6		 3fbwA-3u1tA:
50.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G6M_A_CFFA1_1
(CHITINASE)		 4w5u CHITINASE
(Streptomyces
thermoviolaceus) 		9 / 11 PHE B  78
GLY B 141
TRP B 142
ASP B 181
GLU B 183
MET B 248
TYR B 250
ASP B 251
TYR B 305
 None
None
MLI  B 501 ( 3.8A)
None
None
None
None
MLI  B 501 ( 4.7A)
None
 0.79A 3g6mA-4w5uB:
44.6		 3g6mA-4w5uB:
34.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G6M_A_CFFA1_1
(CHITINASE)		 4w5u CHITINASE
(Streptomyces
thermoviolaceus) 		8 / 11 PHE B  78
GLY B 141
TRP B 142
GLU B 183
TYR B 250
ASP B 251
TYR B 305
TRP B 388
 None
None
MLI  B 501 ( 3.8A)
None
None
MLI  B 501 ( 4.7A)
None
None
 0.79A 3g6mA-4w5uB:
44.6		 3g6mA-4w5uB:
34.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G6M_A_CFFA1_1
(CHITINASE)		 4w5u CHITINASE
(Streptomyces
thermoviolaceus) 		9 / 11 TYR B  46
PHE B  78
GLY B 141
ASP B 181
GLU B 183
MET B 248
TYR B 250
ASP B 251
TYR B 305
 None
None
None
None
None
None
None
MLI  B 501 ( 4.7A)
None
 0.70A 3g6mA-4w5uB:
44.6		 3g6mA-4w5uB:
34.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G6M_A_CFFA1_1
(CHITINASE)		 4w5u CHITINASE
(Streptomyces
thermoviolaceus) 		8 / 11 TYR B  46
PHE B  78
GLY B 141
GLU B 183
TYR B 250
ASP B 251
TYR B 305
TRP B 388
 None
None
None
None
None
MLI  B 501 ( 4.7A)
None
None
 0.72A 3g6mA-4w5uB:
44.6		 3g6mA-4w5uB:
34.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G6M_A_CFFA427_1
(CHITINASE)		 4w5u CHITINASE
(Streptomyces
thermoviolaceus) 		5 / 5 TRP B 142
TYR B 184
MET B 248
ASP B 251
TRP B 256
 MLI  B 501 ( 3.8A)
None
None
MLI  B 501 ( 4.7A)
MLI  B 501 ( 4.2A)
 0.99A 3g6mA-4w5uB:
44.6		 3g6mA-4w5uB:
34.37
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.
3GYQ_A_SAMA270_0
(RRNA
(ADENOSINE-2'-O-)-ME
THYLTRANSFERASE)		 3lnt 2,3-BISPHOSPHOGLYCER
ATE-DEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Burkholderia
pseudomallei) 		5 / 12 ALA A  61
GLY A  22
SER A  56
LEU A  85
SER A 185
 None
MLI  A 990 (-3.6A)
None
None
None
 0.91A 3gyqA-3lntA:
undetectable
3gyqB-3lntA:
undetectable		 3gyqA-3lntA:
22.82
3gyqB-3lntA:
22.82
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.
3H0A_A_9RAA500_2
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 3ov3 CURCUMIN SYNTHASE
(Curcuma
longa) 		3 / 3 ILE A 132
PHE A 215
HIS A 165
 MLI  A 396 (-2.9A)
None
None
 0.75A 3h0aA-3ov3A:
undetectable		 3h0aA-3ov3A:
22.59
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.
3HLW_B_CE3B304_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 3l6c SERINE RACEMASE
(Rattus
norvegicus) 		4 / 5 ASN A 316
THR A  81
SER A  83
SER A 242
 None
None
MLI  A 341 (-2.5A)
MLI  A 341 (-2.7A)
 1.35A 3hlwB-3l6cA:
undetectable		 3hlwB-3l6cA:
23.05
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.
3HLW_B_CE3B304_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 3l6r SERINE RACEMASE
(Homo
sapiens) 		4 / 5 ASN A 316
THR A  81
SER A  83
SER A 242
 None
None
MLI  A 347 (-2.5A)
MLI  A 347 (-3.2A)
 1.38A 3hlwB-3l6rA:
undetectable		 3hlwB-3l6rA:
23.08
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.
3HM1_B_J3ZB1_1
(ESTROGEN RECEPTOR)		 6apg DISD PROTEIN
(Sorangium
cellulosum) 		5 / 11 LEU A  87
ARG A 111
MET A  16
GLY A 265
HIS A 266
 None
MLI  A 301 (-3.3A)
None
None
SO4  A 303 (-3.8A)
 1.34A 3hm1B-6apgA:
undetectable		 3hm1B-6apgA:
13.49
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.
3ID6_C_SAMC301_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		 4otk MYCOBACTERIAL ENZYME
RV2971
(Mycobacterium
tuberculosis) 		5 / 12 GLY A  27
ALA A  29
ALA A  43
ASP A  52
ILE A  51
 None
MLI  A 302 (-3.7A)
None
None
None
 1.01A 3id6C-4otkA:
undetectable		 3id6C-4otkA:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KPD_B_SAMB1000_1
(UNCHARACTERIZED
PROTEIN MJ0100)		 4gn1 RAS-ASSOCIATED AND
PLECKSTRIN HOMOLOGY
DOMAINS-CONTAINING
PROTEIN 1
(Homo
sapiens) 		3 / 3 ASN A 339
ASN A 449
GLU A 331
 MLI  A 601 (-3.7A)
MLI  A 601 (-4.0A)
None
 0.85A 3kpdC-4gn1A:
undetectable		 3kpdC-4gn1A:
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.
3KPD_C_SAMC1000_0
(UNCHARACTERIZED
PROTEIN MJ0100)		 4gn1 RAS-ASSOCIATED AND
PLECKSTRIN HOMOLOGY
DOMAINS-CONTAINING
PROTEIN 1
(Homo
sapiens) 		3 / 3 ASN A 339
ASN A 449
GLU A 331
 MLI  A 601 (-3.7A)
MLI  A 601 (-4.0A)
None
 0.91A 3kpdB-4gn1A:
undetectable		 3kpdB-4gn1A:
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.
3LOQ_A_ACTA278_0
(UNIVERSAL STRESS
PROTEIN)		 4b2g GH3-1 AUXIN
CONJUGATING ENZYME
(Vitis
vinifera) 		3 / 3 SER A 530
GLY A 524
SER A 444
 None
None
MLI  A1599 (-3.3A)
 0.49A 3loqA-4b2gA:
undetectable		 3loqA-4b2gA:
18.36
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.
3MG0_H_BO2H1400_1
(PROTEASOME COMPONENT
PUP1
PROTEASOME COMPONENT
PUP3)		 4ius GCN5-RELATED
N-ACETYLTRANSFERASE
(Kribbella
flavida) 		5 / 11 THR A 204
ALA A 138
GLY A 189
THR A 190
ALA A 171
 None
None
None
MLI  A 501 (-3.4A)
None
 0.97A 3mg0H-4iusA:
undetectable
3mg0I-4iusA:
undetectable		 3mg0H-4iusA:
20.36
3mg0I-4iusA:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N8X_A_NIMA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 3f4w PUTATIVE HEXULOSE 6
PHOSPHATE SYNTHASE
(Salmonella
enterica) 		5 / 12 LEU A   3
ILE A 185
GLY A 187
ALA A   6
LEU A   7
 None
None
MLI  A 300 (-3.3A)
MLI  A 300 ( 4.2A)
None
 1.24A 3n8xA-3f4wA:
undetectable		 3n8xA-3f4wA:
17.45
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.
3NU4_B_478B401_2
(PROTEASE)		 5eum LIPID A EXPORT
ATP-BINDING/PERMEASE
PROTEIN MSBA
(Haemophilus
influenzae) 		5 / 9 LEU A 544
ALA A 541
ILE A 553
GLY A 381
ILE A 547
 MLI  A 609 (-3.9A)
None
None
None
None
 0.91A 3nu4B-5eumA:
undetectable		 3nu4B-5eumA:
19.67
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.
3NXU_A_RITA600_1
(CYTOCHROME P450 3A4)		 4cp8 ALLOPHANATE
HYDROLASE
(Pseudomonas
sp.
ADP) 		5 / 12 SER A 165
LEU A 214
ALA A 103
ILE A  56
GLY A  89
 MLI  A1466 ( 3.7A)
None
None
None
None
 1.07A 3nxuA-4cp8A:
undetectable		 3nxuA-4cp8A:
22.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3O9M_A_BEZA999_0
(CHOLINESTERASE)		 5w1u CARBOXYLIC ESTER
HYDROLASE
(Culex
quinquefasciatus) 		6 / 7 GLY A 109
GLY A 110
SER A 191
TRP A 224
PHE A 394
HIS A 442
 EPE  A 600 (-3.0A)
EPE  A 600 ( 4.4A)
MLI  A 601 ( 3.8A)
MLI  A 601 (-3.4A)
MLI  A 601 ( 4.1A)
EPE  A 600 ( 4.0A)
 0.54A 3o9mA-5w1uA:
41.1		 3o9mA-5w1uA:
31.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3O9M_B_BEZB999_0
(CHOLINESTERASE)		 5w1u CARBOXYLIC ESTER
HYDROLASE
(Culex
quinquefasciatus) 		5 / 6 GLY A 109
GLY A 110
SER A 191
TRP A 224
HIS A 442
 EPE  A 600 (-3.0A)
EPE  A 600 ( 4.4A)
MLI  A 601 ( 3.8A)
MLI  A 601 (-3.4A)
EPE  A 600 ( 4.0A)
 0.44A 3o9mB-5w1uA:
41.1		 3o9mB-5w1uA:
31.28
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.
3OG7_A_032A1_1
(AKAP9-BRAF FUSION
PROTEIN)		 3q60 ROP5B
(Toxoplasma
gondii) 		5 / 12 VAL A 248
ALA A 261
LYS A 263
LEU A 304
PHE A 396
 ATP  A 600 (-4.3A)
ATP  A 600 (-3.6A)
MLI  A 601 ( 2.8A)
ATP  A 600 ( 4.8A)
ATP  A 600 (-4.4A)
 0.61A 3og7A-3q60A:
18.6		 3og7A-3q60A:
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.
3OU6_D_SAMD300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 3fnc PUTATIVE
ACETYLTRANSFERASE
(Listeria
innocua) 		5 / 12 LEU A  89
TYR A  88
TYR A  45
ALA A  72
GLY A  70
 EDO  A 165 (-4.9A)
EDO  A 167 (-4.1A)
MLI  A 161 (-4.5A)
None
None
 1.38A 3ou6D-3fncA:
undetectable		 3ou6D-3fncA:
18.83
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.
3OU7_C_SAMC300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 3fnc PUTATIVE
ACETYLTRANSFERASE
(Listeria
innocua) 		5 / 12 LEU A  89
TYR A  88
TYR A  45
ALA A  72
GLY A  70
 EDO  A 165 (-4.9A)
EDO  A 167 (-4.1A)
MLI  A 161 (-4.5A)
None
None
 1.35A 3ou7C-3fncA:
undetectable		 3ou7C-3fncA:
18.83
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.
3OU7_C_SAMC300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 3fnc PUTATIVE
ACETYLTRANSFERASE
(Listeria
innocua) 		5 / 12 TYR A  45
ALA A  72
GLY A  70
LEU A 102
ALA A  85
 MLI  A 161 (-4.5A)
None
None
None
None
 1.30A 3ou7C-3fncA:
undetectable		 3ou7C-3fncA:
18.83
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.
3OU7_C_SAMC300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 3fnc PUTATIVE
ACETYLTRANSFERASE
(Listeria
innocua) 		5 / 12 TYR A  88
TYR A  45
ALA A  72
GLY A  70
LEU A 102
 EDO  A 167 (-4.1A)
MLI  A 161 (-4.5A)
None
None
None
 1.23A 3ou7C-3fncA:
undetectable		 3ou7C-3fncA:
18.83
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.
3OU7_D_SAMD300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 3fnc PUTATIVE
ACETYLTRANSFERASE
(Listeria
innocua) 		5 / 12 TYR A  88
TYR A  45
ALA A  72
GLY A  70
LEU A 102
 EDO  A 167 (-4.1A)
MLI  A 161 (-4.5A)
None
None
None
 1.24A 3ou7D-3fncA:
undetectable		 3ou7D-3fncA:
18.83
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.
3P2K_A_SAMA6735_0
(16S RRNA METHYLASE)		 4kh3 ANTIGEN 43
(Escherichia
coli) 		5 / 12 GLY A 111
GLY A 109
ALA A 132
ALA A 113
LEU A  90
 MLI  A 604 ( 4.5A)
None
None
None
None
 1.05A 3p2kA-4kh3A:
undetectable		 3p2kA-4kh3A:
17.32
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.
3PEO_F_CU9F301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 5jj2 A-KINASE ANCHOR
PROTEIN 7 ISOFORM
GAMMA
(Homo
sapiens) 		4 / 7 TYR A 275
CYH A 263
CYH A 277
TYR A 274
 MLI  A 303 ( 4.5A)
None
None
None
 1.24A 3peoF-5jj2A:
0.0		 3peoF-5jj2A:
17.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q95_B_ESLB700_1
(ESTROGEN RECEPTOR)		 2y4l MANNOSYLGLYCERATE
SYNTHASE
(Rhodothermus
marinus) 		5 / 12 MET A 229
ALA A 236
LEU A 194
GLY A 164
LEU A 163
 MLI  A 402 ( 4.1A)
None
None
None
MLI  A 402 (-4.6A)
 1.06A 3q95B-2y4lA:
undetectable		 3q95B-2y4lA:
20.52
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.
3QEL_D_QELD2_1
(NMDA GLUTAMATE
RECEPTOR SUBUNIT
GLUTAMATE [NMDA]
RECEPTOR SUBUNIT
EPSILON-2)		 3lnt 2,3-BISPHOSPHOGLYCER
ATE-DEPENDENT
PHOSPHOGLYCERATE
MUTASE
(Burkholderia
pseudomallei) 		4 / 5 TYR A  90
THR A  21
ARG A 130
LEU A 124
 MLI  A 990 (-4.6A)
MLI  A 990 (-3.8A)
None
None
 1.46A 3qelC-3lntA:
3.9		 3qelC-3lntA:
23.51
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.
3QX3_D_EVPD1_1
(DNA TOPOISOMERASE
2-BETA)		 6b3b APRA
METHYLTRANSFERASE 1
(Moorea
bouillonii) 		4 / 5 GLY A 399
ASP A 396
ARG A 397
GLN A 461
 None
None
None
MLI  A 703 ( 2.7A)
 1.25A 3qx3B-6b3bA:
undetectable		 3qx3B-6b3bA:
22.77
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.
3R2J_C_NIOC311_1
(ALPHA/BETA-HYDROLASE
-LIKE PROTEIN)		 5w1u CARBOXYLIC ESTER
HYDROLASE
(Culex
quinquefasciatus) 		5 / 12 PHE A 394
LEU A 327
HIS A 190
HIS A 442
PHE A 281
 MLI  A 601 ( 4.1A)
MLI  A 601 (-4.6A)
EPE  A 600 ( 4.5A)
EPE  A 600 ( 4.0A)
MLI  A 601 (-3.7A)
 1.45A 3r2jC-5w1uA:
undetectable		 3r2jC-5w1uA:
18.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R58_A_NPSA332_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 4otk MYCOBACTERIAL ENZYME
RV2971
(Mycobacterium
tuberculosis) 		5 / 10 TYR A  57
HIS A 115
ASN A 147
TYR A 194
PRO A 276
 MLI  A 302 (-4.4A)
MLI  A 302 (-4.0A)
None
MLI  A 302 (-4.1A)
None
 0.84A 3r58A-4otkA:
38.0		 3r58A-4otkA:
32.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R8G_A_IZPA409_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 4otk MYCOBACTERIAL ENZYME
RV2971
(Mycobacterium
tuberculosis) 		5 / 9 TYR A  57
HIS A 115
ASN A 147
TYR A 194
PRO A 276
 MLI  A 302 (-4.4A)
MLI  A 302 (-4.0A)
None
MLI  A 302 (-4.1A)
None
 0.75A 3r8gA-4otkA:
38.0		 3r8gA-4otkA:
32.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ROD_A_NCAA302_0
(NICOTINAMIDE
N-METHYLTRANSFERASE)		 4b2g GH3-1 AUXIN
CONJUGATING ENZYME
(Vitis
vinifera) 		4 / 8 TYR A 342
LEU A 173
SER A 444
SER A 108
 V1N  A1600 (-4.4A)
MLI  A1599 (-3.9A)
MLI  A1599 (-3.3A)
V1N  A1600 ( 2.5A)
 1.10A 3rodA-4b2gA:
undetectable		 3rodA-4b2gA:
17.90
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.
3SG9_B_KANB305_1
(APH(2'')-ID)		 4fva 5'-TYROSYL-DNA
PHOSPHODIESTERASE
(Caenorhabditis
elegans) 		4 / 8 ASP A 271
ASP A 322
GLU A 278
GLU A 277
 MLI  A 403 ( 4.5A)
None
None
None
 1.13A 3sg9B-4fvaA:
undetectable		 3sg9B-4fvaA:
22.57
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.
3SG9_B_KANB305_1
(APH(2'')-ID)		 4fva 5'-TYROSYL-DNA
PHOSPHODIESTERASE
(Caenorhabditis
elegans) 		4 / 8 ASP A 271
HIS A 232
ASP A 322
GLU A 277
 MLI  A 403 ( 4.5A)
MLI  A 403 (-4.1A)
None
None
 1.11A 3sg9B-4fvaA:
undetectable		 3sg9B-4fvaA:
22.57
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.
3SUE_B_SUEB1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 4gys ALLOPHANATE
HYDROLASE
(Granulibacter
bethesdensis) 		5 / 12 GLY A 166
GLY A 147
SER A 172
ALA A 177
ALA A 178
 None
None
MLI  A1000 (-4.2A)
None
None
 1.17A 3sueB-4gysA:
undetectable		 3sueB-4gysA:
15.52
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.
3V3O_A_T1CA404_1
(TETX2 PROTEIN)		 2ri6 2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE
(Paraburkholderia
xenovorans) 		5 / 12 THR A 219
ASN A 251
ALA A 112
GLY A 138
ASN A 111
 None
None
MLI  A   2 (-3.2A)
None
None
 0.91A 3v3oA-2ri6A:
undetectable		 3v3oA-2ri6A:
21.96
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.
3W1W_A_CHDA1507_0
(FERROCHELATASE,
MITOCHONDRIAL)		 6c90 EXOSOME RNA HELICASE
MTR4,EXOSOME RNA
HELICASE MTR4
(Homo
sapiens) 		3 / 3 ARG A 998
LYS A 192
ARG A 999
 None
MLI  A1105 (-3.7A)
MLI  A1105 (-3.9A)
 1.48A 3w1wA-6c90A:
3.6
3w1wB-6c90A:
3.8		 3w1wA-6c90A:
undetectable
3w1wB-6c90A:
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.
3W9T_F_W9TF512_1
(HEMOLYTIC LECTIN
CEL-III)		 5ebb ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A
(Homo
sapiens) 		4 / 6 ASN A 151
GLY A 150
ASP A 153
ILE A 129
 MLI  A 706 ( 2.6A)
None
None
None
 1.04A 3w9tF-5ebbA:
undetectable		 3w9tF-5ebbA:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WQV_A_GCSA501_1
(CHITINASE)		 4w5u CHITINASE
(Streptomyces
thermoviolaceus) 		11 / 11 PHE B  78
GLY B 141
TRP B 142
ASP B 181
GLU B 183
MET B 248
TYR B 250
ASP B 251
TYR B 305
ARG B 307
TRP B 388
 None
None
MLI  B 501 ( 3.8A)
None
None
None
None
MLI  B 501 ( 4.7A)
None
None
None
 0.74A 3wqvA-4w5uB:
43.8		 3wqvA-4w5uB:
29.18
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.
3WQW_A_GCSA501_1
(CHITINASE)		 4w5u CHITINASE
(Streptomyces
thermoviolaceus) 		10 / 11 PHE B  78
GLY B 141
ASP B 181
GLU B 183
MET B 248
TYR B 250
ASP B 251
TYR B 305
ARG B 307
TRP B 388
 None
None
None
None
None
None
MLI  B 501 ( 4.7A)
None
None
None
 0.71A 3wqwA-4w5uB:
43.8		 3wqwA-4w5uB:
29.18
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.
3WQW_A_GCSA501_1
(CHITINASE)		 4w5u CHITINASE
(Streptomyces
thermoviolaceus) 		10 / 11 PHE B  78
GLY B 141
TRP B 142
ASP B 181
GLU B 183
MET B 248
TYR B 250
ASP B 251
TYR B 305
TRP B 388
 None
None
MLI  B 501 ( 3.8A)
None
None
None
None
MLI  B 501 ( 4.7A)
None
None
 0.69A 3wqwA-4w5uB:
43.8		 3wqwA-4w5uB:
29.18
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.
3WQW_A_GCSA502_1
(CHITINASE)		 2ri6 2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE
(Paraburkholderia
xenovorans) 		4 / 5 TRP A 216
GLY A  41
ALA A 112
PHE A 157
 None
MLI  A   2 (-3.5A)
MLI  A   2 (-3.2A)
None
 1.45A 3wqwA-2ri6A:
undetectable		 3wqwA-2ri6A:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A6N_B_T1CB392_1
(TETX2 PROTEIN)		 6apg DISD PROTEIN
(Sorangium
cellulosum) 		5 / 11 GLN A  12
ARG A 111
GLY A  10
GLY A 116
MET A 123
 None
MLI  A 301 (-3.3A)
None
None
MLI  A 301 ( 4.4A)
 1.37A 4a6nB-6apgA:
undetectable		 4a6nB-6apgA:
12.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A6N_C_T1CC392_1
(TETX2 PROTEIN)		 6apg DISD PROTEIN
(Sorangium
cellulosum) 		5 / 11 GLN A  12
ARG A 111
GLY A  10
GLY A 116
MET A 123
 None
MLI  A 301 (-3.3A)
None
None
MLI  A 301 ( 4.4A)
 1.38A 4a6nC-6apgA:
undetectable		 4a6nC-6apgA:
12.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A99_A_MIYA391_1
(TETX2 PROTEIN)		 6apg DISD PROTEIN
(Sorangium
cellulosum) 		5 / 10 GLN A  12
ARG A 111
GLY A  10
GLY A 116
MET A 123
 None
MLI  A 301 (-3.3A)
None
None
MLI  A 301 ( 4.4A)
 1.37A 4a99A-6apgA:
undetectable		 4a99A-6apgA:
12.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A99_B_MIYB391_1
(TETX2 PROTEIN)		 6apg DISD PROTEIN
(Sorangium
cellulosum) 		5 / 11 GLN A  12
ARG A 111
GLY A  10
GLY A 116
MET A 123
 None
MLI  A 301 (-3.3A)
None
None
MLI  A 301 ( 4.4A)
 1.34A 4a99B-6apgA:
undetectable		 4a99B-6apgA:
12.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A99_C_MIYC391_1
(TETX2 PROTEIN)		 6apg DISD PROTEIN
(Sorangium
cellulosum) 		5 / 11 GLN A  12
ARG A 111
GLY A  10
GLY A 116
MET A 123
 None
MLI  A 301 (-3.3A)
None
None
MLI  A 301 ( 4.4A)
 1.34A 4a99C-6apgA:
undetectable		 4a99C-6apgA:
12.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A99_D_MIYD391_1
(TETX2 PROTEIN)		 6apg DISD PROTEIN
(Sorangium
cellulosum) 		5 / 11 GLN A  12
ARG A 111
GLY A  10
GLY A 116
MET A 123
 None
MLI  A 301 (-3.3A)
None
None
MLI  A 301 ( 4.4A)
 1.34A 4a99D-6apgA:
undetectable		 4a99D-6apgA:
12.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BQT_C_C5EC301_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 5jj2 A-KINASE ANCHOR
PROTEIN 7 ISOFORM
GAMMA
(Homo
sapiens) 		4 / 8 TYR A 275
CYH A 263
CYH A 277
TYR A 274
 MLI  A 303 ( 4.5A)
None
None
None
 1.21A 4bqtC-5jj2A:
undetectable
4bqtD-5jj2A:
undetectable		 4bqtC-5jj2A:
17.99
4bqtD-5jj2A:
17.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CX7_D_H4BD600_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 5eum LIPID A EXPORT
ATP-BINDING/PERMEASE
PROTEIN MSBA
(Haemophilus
influenzae) 		4 / 7 PHE A 467
GLU A 469
ARG A 493
ILE A 438
 None
None
MLI  A 608 (-3.3A)
None
 1.48A 4cx7C-5eumA:
undetectable
4cx7D-5eumA:
undetectable		 4cx7C-5eumA:
21.17
4cx7D-5eumA:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DCM_A_SAMA401_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE G)		 5tch TRYPTOPHAN SYNTHASE
BETA CHAIN
(Mycobacterium
tuberculosis) 		5 / 11 ALA B 122
GLY B 149
GLY B 125
ILE B 146
ASP B 152
 None
None
MLI  B 501 (-3.5A)
None
None
 1.11A 4dcmA-5tchB:
undetectable		 4dcmA-5tchB:
24.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EJW_A_SRYA2001_2
(TRANSCRIPTIONAL
REGULATOR TCAR)		 4m9d ADENYLOSUCCINATE
SYNTHETASE
(Bacillus
anthracis) 		4 / 6 ILE A 229
ASN A 241
GLU A  14
VAL A 313
 None
None
MLI  A 502 (-4.7A)
None
 0.99A 4ejwB-4m9dA:
undetectable		 4ejwB-4m9dA:
15.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EY6_A_GNTA604_1
(ACETYLCHOLINESTERASE)		 5w1u CARBOXYLIC ESTER
HYDROLASE
(Culex
quinquefasciatus) 		6 / 12 GLY A 108
GLY A 109
GLY A 110
SER A 191
PHE A 281
HIS A 442
 EPE  A 600 ( 3.9A)
EPE  A 600 (-3.0A)
EPE  A 600 ( 4.4A)
MLI  A 601 ( 3.8A)
MLI  A 601 (-3.7A)
EPE  A 600 ( 4.0A)
 0.79A 4ey6A-5w1uA:
41.0		 4ey6A-5w1uA:
30.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EY6_A_GNTA604_1
(ACETYLCHOLINESTERASE)		 5w1u CARBOXYLIC ESTER
HYDROLASE
(Culex
quinquefasciatus) 		6 / 12 GLY A 108
GLY A 109
GLY A 110
SER A 191
TYR A 428
HIS A 442
 EPE  A 600 ( 3.9A)
EPE  A 600 (-3.0A)
EPE  A 600 ( 4.4A)
MLI  A 601 ( 3.8A)
EPE  A 600 (-3.3A)
EPE  A 600 ( 4.0A)
 1.00A 4ey6A-5w1uA:
41.0		 4ey6A-5w1uA:
30.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EY6_B_GNTB605_1
(ACETYLCHOLINESTERASE)		 5w1u CARBOXYLIC ESTER
HYDROLASE
(Culex
quinquefasciatus) 		6 / 12 GLY A 108
GLY A 109
GLY A 110
SER A 191
PHE A 281
HIS A 442
 EPE  A 600 ( 3.9A)
EPE  A 600 (-3.0A)
EPE  A 600 ( 4.4A)
MLI  A 601 ( 3.8A)
MLI  A 601 (-3.7A)
EPE  A 600 ( 4.0A)
 0.80A 4ey6B-5w1uA:
40.7		 4ey6B-5w1uA:
30.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EY6_B_GNTB605_1
(ACETYLCHOLINESTERASE)		 5w1u CARBOXYLIC ESTER
HYDROLASE
(Culex
quinquefasciatus) 		6 / 12 GLY A 108
GLY A 109
GLY A 110
SER A 191
TYR A 428
HIS A 442
 EPE  A 600 ( 3.9A)
EPE  A 600 (-3.0A)
EPE  A 600 ( 4.4A)
MLI  A 601 ( 3.8A)
EPE  A 600 (-3.3A)
EPE  A 600 ( 4.0A)
 1.02A 4ey6B-5w1uA:
40.7		 4ey6B-5w1uA:
30.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4F5Z_A_BEZA302_0
(HALOALKANE
DEHALOGENASE)		 3u1t DMMA HALOALKANE
DEHALOGENASE
(unidentified) 		5 / 8 ASN A  78
ASP A 144
TRP A 145
PHE A 210
HIS A 315
 CL  A 350 (-4.4A)
CL  A 350 ( 4.6A)
CL  A 350 (-4.7A)
CL  A 350 (-4.7A)
MLI  A 351 (-3.3A)
 0.21A 4f5zA-3u1tA:
46.6		 4f5zA-3u1tA:
50.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FAK_A_SAMA201_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE H)		 2x8w METHYLGLYOXAL
SYNTHASE
(Thermus
sp.
GH5) 		5 / 10 ILE A   7
ILE A  42
GLY A  39
GLY A  36
MET A  16
 None
None
None
MLI  A1126 ( 4.6A)
None
 1.01A 4fakA-2x8wA:
3.0		 4fakA-2x8wA:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FAK_A_SAMA201_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE H)		 2x8w METHYLGLYOXAL
SYNTHASE
(Thermus
sp.
GH5) 		5 / 10 LEU A   6
ILE A  42
GLY A  39
GLY A  36
MET A  16
 None
None
None
MLI  A1126 ( 4.6A)
None
 0.82A 4fakA-2x8wA:
3.0		 4fakA-2x8wA:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IJI_H_BEZH501_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN YIBF)		 4gys ALLOPHANATE
HYDROLASE
(Granulibacter
bethesdensis) 		4 / 7 ASN A  76
ALA A 122
VAL A 311
ARG A 307
 None
MLI  A1000 (-3.9A)
None
MLI  A1000 (-3.0A)
 1.11A 4ijiH-4gysA:
undetectable		 4ijiH-4gysA:
16.43
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.
4K50_A_ACTA502_0
(RNA POLYMERASE
3D-POL)		 3hzn OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE
(Salmonella
enterica) 		3 / 3 ARG A  73
LYS A  14
LYS A  74
 SIN  A 222 ( 3.1A)
MLI  A 226 ( 4.6A)
MLI  A 226 (-3.4A)
 1.38A 4k50A-3hznA:
undetectable		 4k50A-3hznA:
17.02
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.
4K50_E_ACTE502_0
(RNA POLYMERASE
3D-POL)		 3hzn OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE
(Salmonella
enterica) 		3 / 3 ARG A  73
LYS A  14
LYS A  74
 SIN  A 222 ( 3.1A)
MLI  A 226 ( 4.6A)
MLI  A 226 (-3.4A)
 1.41A 4k50E-3hznA:
undetectable		 4k50E-3hznA:
17.02
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.
4K50_I_ACTI506_0
(RNA POLYMERASE
3D-POL)		 3hzn OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE
(Salmonella
enterica) 		3 / 3 ARG A  73
LYS A  14
LYS A  74
 SIN  A 222 ( 3.1A)
MLI  A 226 ( 4.6A)
MLI  A 226 (-3.4A)
 1.38A 4k50I-3hznA:
undetectable		 4k50I-3hznA:
17.02
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.
4KF9_A_ACTA407_0
(GLUTATHIONE
S-TRANSFERASE
PROTEIN)		 5mb4 GLCNAC SPECIFIC
LECTIN
(Psathyrella) 		3 / 3 GLU A 191
ARG A 170
HIS A 171
 None
MLI  A 507 (-3.8A)
NDG  A 509 ( 3.9A)
 0.85A 4kf9A-5mb4A:
undetectable		 4kf9A-5mb4A:
23.94
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.
4KOX_A_CLSA205_1
(UNCHARACTERIZED
PROTEIN)		 4dwq TRNA-SPLICING LIGASE
RTCB
(Pyrococcus
horikoshii) 		5 / 11 TYR A  94
GLY A  93
ASN A 330
TYR A 281
ARG A 190
 None
MLI  A 503 (-3.6A)
MLI  A 503 (-4.1A)
None
PO4  A 506 (-3.7A)
 1.45A 4koxA-4dwqA:
undetectable		 4koxA-4dwqA:
18.52
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.
4KYA_A_FOLA703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4mco TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT
(Rhodoferax
ferrireducens) 		5 / 11 VAL A 227
ALA A 203
THR A 214
ARG A 223
THR A 206
 EPE  A 403 (-4.6A)
None
MLI  A 401 (-3.8A)
None
None
 1.44A 4kyaA-4mcoA:
undetectable		 4kyaA-4mcoA:
20.21
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.
4KYA_E_FOLE703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4mco TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT
(Rhodoferax
ferrireducens) 		5 / 11 VAL A 227
ALA A 203
THR A 214
ARG A 223
THR A 206
 EPE  A 403 (-4.6A)
None
MLI  A 401 (-3.8A)
None
None
 1.42A 4kyaE-4mcoA:
undetectable		 4kyaE-4mcoA:
20.21
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.
4KYA_G_FOLG703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4mco TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT
(Rhodoferax
ferrireducens) 		5 / 11 VAL A 227
ALA A 203
THR A 214
ARG A 223
THR A 206
 EPE  A 403 (-4.6A)
None
MLI  A 401 (-3.8A)
None
None
 1.43A 4kyaG-4mcoA:
undetectable		 4kyaG-4mcoA:
20.21
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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		 3ov3 CURCUMIN SYNTHASE
(Curcuma
longa) 		6 / 12 ALA A 163
CYH A 164
SER A 197
PHE A 265
HIS A 303
GLY A 374
 None
None
MLI  A 396 (-3.0A)
None
None
None
 1.37A 4ls7A-3ov3A:
22.5
4ls7B-3ov3A:
22.5		 4ls7A-3ov3A:
22.10
4ls7B-3ov3A:
22.10
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.
4MI4_A_SPMA201_1
(SPERMIDINE
N1-ACETYLTRANSFERASE)		 4gn1 RAS-ASSOCIATED AND
PLECKSTRIN HOMOLOGY
DOMAINS-CONTAINING
PROTEIN 1
(Homo
sapiens) 		4 / 6 ASN A 336
GLU A 316
GLU A 331
GLU A 328
 MLI  A 601 (-3.6A)
MLI  A 601 (-2.7A)
None
None
 1.34A 4mi4A-4gn1A:
undetectable		 4mi4A-4gn1A:
22.43
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.
4MI4_B_SPMB201_1
(SPERMIDINE
N1-ACETYLTRANSFERASE)		 6c90 EXOSOME RNA HELICASE
MTR4,EXOSOME RNA
HELICASE MTR4
(Homo
sapiens) 		4 / 7 ASN A 572
GLU A 268
GLU A 885
ARG A 854
 None
None
None
MLI  A1104 (-2.9A)
 1.02A 4mi4B-6c90A:
undetectable
4mi4C-6c90A:
undetectable		 4mi4B-6c90A:
17.99
4mi4C-6c90A:
17.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MJ8_A_SPMA202_1
(SPERMIDINE
N1-ACETYLTRANSFERASE)		 6d72 SPERMIDINE
N1-ACETYLTRANSFERASE
(Yersinia
pestis) 		4 / 8 GLU A  76
GLU A  85
ILE A  88
LEU A 122
 CA  A 201 ( 2.4A)
MLI  A 204 ( 4.6A)
None
None
 0.58A 4mj8A-6d72A:
23.3		 4mj8A-6d72A:
62.96
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.
4MJ8_B_SPMB201_1
(SPERMIDINE
N1-ACETYLTRANSFERASE)		 6c90 EXOSOME RNA HELICASE
MTR4,EXOSOME RNA
HELICASE MTR4
(Homo
sapiens) 		4 / 8 ASN A 572
GLU A 268
GLU A 885
ARG A 854
 None
None
None
MLI  A1104 (-2.9A)
 1.01A 4mj8B-6c90A:
undetectable
4mj8C-6c90A:
undetectable		 4mj8B-6c90A:
18.18
4mj8C-6c90A:
18.18
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.
4NED_A_PFNA709_1
(LACTOTRANSFERRIN)		 4mco TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT
(Rhodoferax
ferrireducens) 		4 / 6 ASP A  45
SER A 215
ALA A 278
PHE A 274
 None
MLI  A 401 (-2.8A)
None
None
 0.95A 4nedA-4mcoA:
1.9		 4nedA-4mcoA:
22.08
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.
4NJK_A_SAMA302_0
(7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE)		 3gtd FUMARATE HYDRATASE
CLASS II
(Rickettsia
prowazekii) 		5 / 12 THR A 100
ASN A 105
LYS A  52
VAL A 134
ASP A 132
 MLI  A 462 (-2.8A)
None
None
None
None
 1.35A 4njkA-3gtdA:
undetectable		 4njkA-3gtdA:
19.42
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.
4PGF_B_ADNB502_2
(ADENOSYLHOMOCYSTEINA
SE)		 6apg DISD PROTEIN
(Sorangium
cellulosum) 		4 / 5 THR A  57
THR A  54
HIS A  85
ASN A  65
 None
None
MLI  A 301 (-4.7A)
None
 1.28A 4pgfB-6apgA:
undetectable		 4pgfB-6apgA:
11.45
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.
4PUO_A_NVPA901_1
(HIV-1 REVERSE
TRANSCRIPTASE, P66
SUBUNIT)		 3q60 ROP5B
(Toxoplasma
gondii) 		5 / 9 PRO A 306
LEU A 335
VAL A 248
LEU A 279
TYR A 333
 MLI  A 601 ( 4.5A)
MLI  A 601 (-4.7A)
ATP  A 600 (-4.3A)
None
None
 1.50A 4puoA-3q60A:
0.0		 4puoA-3q60A:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA2_A_SHHA404_2
(HISTONE DEACETYLASE
8)		 6b3b APRA
METHYLTRANSFERASE 1
(Moorea
bouillonii) 		3 / 3 PRO A 208
MET A 209
TYR A 206
 None
None
MLI  A 703 (-4.3A)
 0.91A 4qa2B-6b3bA:
2.3		 4qa2B-6b3bA:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QOG_A_ML1A302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 3q60 ROP5B
(Toxoplasma
gondii) 		4 / 8 PHE A 265
PHE A 249
GLY A 243
MET A 206
 MLI  A 601 (-4.8A)
None
ATP  A 600 (-3.3A)
None
 0.92A 4qogA-3q60A:
undetectable
4qogB-3q60A:
undetectable		 4qogA-3q60A:
20.59
4qogB-3q60A:
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.
4QOI_B_ML1B303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 2ri6 2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE
(Paraburkholderia
xenovorans) 		5 / 11 GLY A  42
GLY A  43
GLY A 139
ILE A 153
PHE A 239
 MLI  A   2 (-3.5A)
MLI  A   2 (-3.5A)
None
None
None
 1.10A 4qoiA-2ri6A:
2.6
4qoiB-2ri6A:
4.1		 4qoiA-2ri6A:
21.93
4qoiB-2ri6A:
21.93
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.
4QOI_B_ML1B303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 3ov3 CURCUMIN SYNTHASE
(Curcuma
longa) 		5 / 11 GLY A 256
GLY A 255
GLY A 262
ILE A 132
PHE A 215
 None
None
None
MLI  A 396 (-2.9A)
None
 1.17A 4qoiA-3ov3A:
undetectable
4qoiB-3ov3A:
undetectable		 4qoiA-3ov3A:
20.54
4qoiB-3ov3A:
20.54
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.
4QVV_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2)		 4ius GCN5-RELATED
N-ACETYLTRANSFERASE
(Kribbella
flavida) 		5 / 11 THR A 204
ALA A 138
GLY A 189
THR A 190
ALA A 171
 None
None
None
MLI  A 501 (-3.4A)
None
 0.96A 4qvvH-4iusA:
undetectable		 4qvvH-4iusA:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVV_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2)		 4ius GCN5-RELATED
N-ACETYLTRANSFERASE
(Kribbella
flavida) 		5 / 11 THR A 204
ALA A 138
GLY A 189
THR A 190
ALA A 171
 None
None
None
MLI  A 501 (-3.4A)
None
 0.97A 4qvvV-4iusA:
undetectable		 4qvvV-4iusA:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVY_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2)		 4ius GCN5-RELATED
N-ACETYLTRANSFERASE
(Kribbella
flavida) 		5 / 11 THR A 204
ALA A 138
GLY A 189
THR A 190
ALA A 171
 None
None
None
MLI  A 501 (-3.4A)
None
 0.98A 4qvyH-4iusA:
undetectable		 4qvyH-4iusA:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QWP_B_GCSB307_1
(CHITOSANASE)		 2x8w METHYLGLYOXAL
SYNTHASE
(Thermus
sp.
GH5) 		4 / 7 THR A  37
GLY A  36
THR A  38
HIS A  88
 MLI  A1126 (-3.9A)
MLI  A1126 ( 4.6A)
MLI  A1126 (-3.6A)
MLI  A1126 (-4.1A)
 0.97A 4qwpB-2x8wA:
undetectable		 4qwpB-2x8wA:
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.
4QWU_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 5bv9 CELLULOSE
1,4-BETA-CELLOBIOSID
ASE
(Bacillus
pumilus) 		5 / 9 ALA A 396
THR A 375
ALA A 374
GLY A 275
GLY A 273
 None
MLI  A 805 ( 4.1A)
None
None
EDO  A 809 (-4.0A)
 1.14A 4qwuY-5bv9A:
undetectable
4qwuZ-5bv9A:
undetectable		 4qwuY-5bv9A:
16.22
4qwuZ-5bv9A:
15.98
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.
4UCI_A_SAMA2409_0
(RNA-DIRECTED RNA
POLYMERASE L)		 4cp8 ALLOPHANATE
HYDROLASE
(Pseudomonas
sp.
ADP) 		5 / 12 THR A 390
GLY A 190
GLY A 188
SER A 225
ALA A 238
 None
None
MLI  A1466 (-4.0A)
None
None
 0.86A 4uciA-4cp8A:
undetectable		 4uciA-4cp8A:
19.84
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.
4UCI_B_SAMB2409_0
(RNA-DIRECTED RNA
POLYMERASE L)		 4cp8 ALLOPHANATE
HYDROLASE
(Pseudomonas
sp.
ADP) 		5 / 12 THR A 390
GLY A 190
GLY A 188
SER A 225
ALA A 238
 None
None
MLI  A1466 (-4.0A)
None
None
 0.87A 4uciB-4cp8A:
undetectable		 4uciB-4cp8A:
19.84
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.
4UCK_A_SAMA2409_0
(RNA-DIRECTED RNA
POLYMERASE L)		 4cp8 ALLOPHANATE
HYDROLASE
(Pseudomonas
sp.
ADP) 		5 / 12 THR A 390
GLY A 190
GLY A 188
SER A 225
ALA A 238
 None
None
MLI  A1466 (-4.0A)
None
None
 0.91A 4uckA-4cp8A:
undetectable		 4uckA-4cp8A:
19.84
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.
4UCK_B_SAMB2409_0
(RNA-DIRECTED RNA
POLYMERASE L)		 4cp8 ALLOPHANATE
HYDROLASE
(Pseudomonas
sp.
ADP) 		5 / 12 THR A 390
GLY A 190
GLY A 188
SER A 225
ALA A 238
 None
None
MLI  A1466 (-4.0A)
None
None
 0.91A 4uckB-4cp8A:
undetectable		 4uckB-4cp8A:
19.84
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)		 3l6c SERINE RACEMASE
(Rattus
norvegicus) 		5 / 10 GLY A  88
GLN A  89
ALA A 110
ASP A 238
SER A  84
 None
None
None
None
MLI  A 341 (-2.7A)
 1.21A 4wnuD-3l6cA:
undetectable		 4wnuD-3l6cA:
21.02
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.
4X1K_D_LOCD502_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)		 4lps HYDROGENASE/UREASE
NICKEL INCORPORATION
PROTEIN HYPB
(Helicobacter
pylori) 		4 / 4 ASN A  50
SER A 238
ALA A 150
VAL A  48
 None
MLI  A 309 ( 4.2A)
None
None
 1.27A 4x1kC-4lpsA:
3.2		 4x1kC-4lpsA:
19.83
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.
4XI3_A_29SA601_1
(ESTROGEN RECEPTOR)		 4xmv AMINOPEPTIDASE N
(Escherichia
coli) 		5 / 12 ALA A 683
LEU A 685
LEU A 619
ARG A 641
LEU A 603
 None
None
None
MLI  A 918 (-4.2A)
None
 1.35A 4xi3A-4xmvA:
undetectable		 4xi3A-4xmvA:
15.55
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.
4XUC_A_SAMA303_0
(CATECHOL
O-METHYLTRANSFERASE)		 5bv9 CELLULOSE
1,4-BETA-CELLOBIOSID
ASE
(Bacillus
pumilus) 		5 / 12 ASN A 376
GLU A 398
GLY A 373
GLN A 415
HIS A 319
 None
MLI  A 805 ( 3.2A)
None
None
None
 1.34A 4xucA-5bv9A:
undetectable		 4xucA-5bv9A:
15.43
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.
4XV2_A_P06A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 3q60 ROP5B
(Toxoplasma
gondii) 		6 / 12 ALA A 261
LYS A 263
LEU A 304
PHE A 396
GLY A 406
ASP A 407
 ATP  A 600 (-3.6A)
MLI  A 601 ( 2.8A)
ATP  A 600 ( 4.8A)
ATP  A 600 (-4.4A)
None
MG  A 602 ( 2.5A)
 1.39A 4xv2A-3q60A:
18.2		 4xv2A-3q60A:
23.04
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.
4XV2_A_P06A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 3q60 ROP5B
(Toxoplasma
gondii) 		6 / 12 VAL A 248
ALA A 261
LYS A 263
LEU A 304
PHE A 396
GLY A 406
 ATP  A 600 (-4.3A)
ATP  A 600 (-3.6A)
MLI  A 601 ( 2.8A)
ATP  A 600 ( 4.8A)
ATP  A 600 (-4.4A)
None
 0.90A 4xv2A-3q60A:
18.2		 4xv2A-3q60A:
23.04
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.
4ZPH_A_PRLA501_0
(ARYL HYDROCARBON
RECEPTOR NUCLEAR
TRANSLOCATOR
ENDOTHELIAL PAS
DOMAIN-CONTAINING
PROTEIN 1)		 6apg DISD PROTEIN
(Sorangium
cellulosum) 		5 / 7 ARG A 111
VAL A 108
LEU A  87
SER A  86
GLU A  89
 MLI  A 301 (-3.3A)
None
None
MLI  A 301 (-3.0A)
None
 1.49A 4zphA-6apgA:
undetectable
4zphB-6apgA:
undetectable		 4zphA-6apgA:
undetectable
4zphB-6apgA:
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.
5AXD_A_RBVA502_2
(ADENOSYLHOMOCYSTEINA
SE)		 5o5s RNASE ADAPTER
PROTEIN RAPZ
(Escherichia
coli) 		3 / 3 THR A 222
HIS A 252
LEU A 209
 None
MLI  A 301 (-3.7A)
None
 0.68A 5axdA-5o5sA:
undetectable		 5axdA-5o5sA:
15.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BXN_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 4ius GCN5-RELATED
N-ACETYLTRANSFERASE
(Kribbella
flavida) 		5 / 11 THR A 204
ALA A 138
GLY A 189
THR A 190
ALA A 171
 None
None
None
MLI  A 501 (-3.4A)
None
 0.97A 5bxnV-4iusA:
undetectable
5bxnW-4iusA:
undetectable		 5bxnV-4iusA:
20.54
5bxnW-4iusA:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CSW_A_P06A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 3q60 ROP5B
(Toxoplasma
gondii) 		6 / 12 VAL A 248
ALA A 261
LYS A 263
LEU A 304
PHE A 396
GLY A 406
 ATP  A 600 (-4.3A)
ATP  A 600 (-3.6A)
MLI  A 601 ( 2.8A)
ATP  A 600 ( 4.8A)
ATP  A 600 (-4.4A)
None
 0.87A 5cswA-3q60A:
18.2		 5cswA-3q60A:
22.51
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.
5CSW_B_P06B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 3q60 ROP5B
(Toxoplasma
gondii) 		6 / 12 VAL A 248
ALA A 261
LYS A 263
LEU A 304
PHE A 396
GLY A 406
 ATP  A 600 (-4.3A)
ATP  A 600 (-3.6A)
MLI  A 601 ( 2.8A)
ATP  A 600 ( 4.8A)
ATP  A 600 (-4.4A)
None
 0.89A 5cswB-3q60A:
18.2		 5cswB-3q60A:
22.51
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.
5CVT_B_ACTB200_0
(N5-CARBOXYAMINOIMIDA
ZOLE RIBONUCLEOTIDE
MUTASE)		 2ri6 2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE
(Paraburkholderia
xenovorans) 		3 / 3 ASN A  51
ALA A  46
ARG A 190
 None
MLI  A   2 ( 4.6A)
MLI  A   2 ( 4.8A)
 0.72A 5cvtB-2ri6A:
4.1		 5cvtB-2ri6A:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5D0X_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 3ov3 CURCUMIN SYNTHASE
(Curcuma
longa) 		5 / 12 THR A 341
GLN A 338
ALA A 109
ALA A 190
CYH A 130
 None
MLI  A 396 (-3.2A)
None
None
None
 1.43A 5d0xH-3ov3A:
undetectable
5d0xI-3ov3A:
undetectable		 5d0xH-3ov3A:
19.33
5d0xI-3ov3A:
20.41
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.
5D0X_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2)		 4ius GCN5-RELATED
N-ACETYLTRANSFERASE
(Kribbella
flavida) 		5 / 11 THR A 204
ALA A 138
GLY A 189
THR A 190
ALA A 171
 None
None
None
MLI  A 501 (-3.4A)
None
 0.97A 5d0xV-4iusA:
undetectable		 5d0xV-4iusA:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5D4N_C_ACTC201_0
(NITROGEN REGULATORY
PROTEIN P-II)		 5ovu BETA-PROTEOBACTERIA
PROTEASOME HOMOLOGUE
(Cupriavidus
metallidurans) 		4 / 5 VAL A  45
VAL A 121
GLY A 120
PHE A  80
 None
None
MLI  A 202 ( 3.7A)
None
 1.10A 5d4nA-5ovuA:
undetectable
5d4nC-5ovuA:
undetectable		 5d4nA-5ovuA:
undetectable
5d4nC-5ovuA:
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.
5DB5_A_CYSA503_0
(CYSTEINE DESULFURASE)		 4m9d ADENYLOSUCCINATE
SYNTHETASE
(Bacillus
anthracis) 		4 / 8 ALA A 222
HIS A  41
ARG A  32
HIS A  53
 None
MLI  A 502 (-4.2A)
None
None
 1.26A 5db5A-4m9dA:
undetectable
5db5B-4m9dA:
undetectable		 5db5A-4m9dA:
22.72
5db5B-4m9dA:
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.
5DXE_B_ESTB1000_1
(ESTROGEN RECEPTOR)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		5 / 10 ALA A 363
GLU A 362
LEU A 358
ARG A  48
LEU A 414
 None
MLI  A 905 ( 4.5A)
None
None
None
 1.49A 5dxeB-5favA:
undetectable		 5dxeB-5favA:
15.53
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.
5E26_A_PAUA602_0
(PANTOTHENATE KINASE
2, MITOCHONDRIAL)		 4ryf ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT
(Listeria
monocytogenes) 		4 / 7 GLY H  69
SER H  98
GLY H 100
ALA H  35
 None
MLI  H 301 (-3.5A)
None
None
 0.92A 5e26A-4ryfH:
undetectable
5e26B-4ryfH:
undetectable		 5e26A-4ryfH:
19.10
5e26B-4ryfH:
19.10
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.
5ECN_D_LEUD602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		 3f4w PUTATIVE HEXULOSE 6
PHOSPHATE SYNTHASE
(Salmonella
enterica) 		4 / 8 ILE A 147
ALA A 165
TYR A 176
HIS A 134
 None
MLI  A 300 ( 4.2A)
None
MLI  A 300 (-4.1A)
 0.81A 5ecnD-3f4wA:
undetectable		 5ecnD-3f4wA:
18.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEN_B_5OGB804_1
(HDAC6 PROTEIN)		 5ebb ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A
(Homo
sapiens) 		5 / 12 PRO A 216
HIS A  47
HIS A 114
ASP A 110
TYR A 214
 None
ZN  A 702 ( 3.4A)
MLI  A 706 (-3.9A)
ZN  A 701 (-2.5A)
None
 1.47A 5eenB-5ebbA:
undetectable		 5eenB-5ebbA:
20.70
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.
5EQB_A_1YNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 5w1u CARBOXYLIC ESTER
HYDROLASE
(Culex
quinquefasciatus) 		5 / 12 GLY A 439
GLY A 114
GLY A 109
LEU A 327
THR A 440
 None
None
EPE  A 600 (-3.0A)
MLI  A 601 (-4.6A)
None
 0.97A 5eqbA-5w1uA:
undetectable		 5eqbA-5w1uA:
21.23
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.
5FA8_A_SAMA301_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE,
PUTATIVE)		 4dwq TRNA-SPLICING LIGASE
RTCB
(Pyrococcus
horikoshii) 		5 / 12 PRO A  73
GLY A  93
GLY A  91
ILE A 331
ASN A  97
 None
MLI  A 503 (-3.6A)
None
None
None
 1.08A 5fa8A-4dwqA:
undetectable		 5fa8A-4dwqA:
16.80
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.
5FSA_A_X2NA590_1
(CYP51 VARIANT1)		 3fnc PUTATIVE
ACETYLTRANSFERASE
(Listeria
innocua) 		5 / 12 ALA A  56
LEU A  84
PHE A 130
PHE A  87
GLY A  99
 None
None
MLI  A 162 (-4.7A)
None
MLI  A 162 (-3.4A)
 1.19A 5fsaA-3fncA:
undetectable		 5fsaA-3fncA:
17.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GQB_A_GCSA602_1
(CHITINASE)		 4w5u CHITINASE
(Streptomyces
thermoviolaceus) 		3 / 3 TRP B 142
GLU B 183
ASP B 251
 MLI  B 501 ( 3.8A)
None
MLI  B 501 ( 4.7A)
 0.30A 5gqbA-4w5uB:
45.4		 5gqbA-4w5uB:
29.41
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.
5GQB_A_GCSA603_1
(CHITINASE)		 4w5u CHITINASE
(Streptomyces
thermoviolaceus) 		8 / 8 PHE B  78
GLY B 141
TRP B 142
GLU B 183
TYR B 250
ASP B 251
ARG B 307
TRP B 388
 None
None
MLI  B 501 ( 3.8A)
None
None
MLI  B 501 ( 4.7A)
None
None
 0.67A 5gqbA-4w5uB:
45.4		 5gqbA-4w5uB:
29.41
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.
5HHJ_A_GLYA404_0
(RETRON-TYPE REVERSE
TRANSCRIPTASE)		 4uzy FLAGELLAR ASSOCIATED
PROTEIN
(Chlamydomonas
reinhardtii) 		4 / 4 TYR A 425
ASN A 433
ILE A 437
GLN A 440
 None
MLI  A1648 (-4.6A)
None
None
 1.20A 5hhjA-4uzyA:
0.0		 5hhjA-4uzyA:
18.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HIE_A_P06A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 3q60 ROP5B
(Toxoplasma
gondii) 		6 / 12 VAL A 248
ALA A 261
LYS A 263
LEU A 304
PHE A 396
GLY A 406
 ATP  A 600 (-4.3A)
ATP  A 600 (-3.6A)
MLI  A 601 ( 2.8A)
ATP  A 600 ( 4.8A)
ATP  A 600 (-4.4A)
None
 0.87A 5hieA-3q60A:
7.4		 5hieA-3q60A:
23.08
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.
5HIE_B_P06B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 3q60 ROP5B
(Toxoplasma
gondii) 		6 / 12 VAL A 248
ALA A 261
LYS A 263
LEU A 304
PHE A 396
GLY A 406
 ATP  A 600 (-4.3A)
ATP  A 600 (-3.6A)
MLI  A 601 ( 2.8A)
ATP  A 600 ( 4.8A)
ATP  A 600 (-4.4A)
None
 0.87A 5hieB-3q60A:
7.3		 5hieB-3q60A:
23.08
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.
5HIE_D_P06D801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 3q60 ROP5B
(Toxoplasma
gondii) 		6 / 12 VAL A 248
ALA A 261
LYS A 263
LEU A 304
PHE A 396
GLY A 406
 ATP  A 600 (-4.3A)
ATP  A 600 (-3.6A)
MLI  A 601 ( 2.8A)
ATP  A 600 ( 4.8A)
ATP  A 600 (-4.4A)
None
 0.87A 5hieD-3q60A:
17.6		 5hieD-3q60A:
23.08
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.
5HM8_A_ADNA501_2
(ADENOSYLHOMOCYSTEINA
SE)		 3u1t DMMA HALOALKANE
DEHALOGENASE
(unidentified) 		4 / 5 GLU A 168
THR A 314
THR A 213
LEU A 190
 None
MLI  A 351 (-4.0A)
None
None
 1.07A 5hm8A-3u1tA:
2.6		 5hm8A-3u1tA:
19.52
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.
5HM8_D_ADND501_2
(ADENOSYLHOMOCYSTEINA
SE)		 3u1t DMMA HALOALKANE
DEHALOGENASE
(unidentified) 		4 / 5 GLU A 168
THR A 314
THR A 213
LEU A 190
 None
MLI  A 351 (-4.0A)
None
None
 1.07A 5hm8D-3u1tA:
2.7		 5hm8D-3u1tA:
19.52
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.
5HM8_G_ADNG501_2
(ADENOSYLHOMOCYSTEINA
SE)		 3u1t DMMA HALOALKANE
DEHALOGENASE
(unidentified) 		4 / 5 GLU A 168
THR A 314
THR A 213
LEU A 190
 None
MLI  A 351 (-4.0A)
None
None
 1.06A 5hm8G-3u1tA:
undetectable		 5hm8G-3u1tA:
19.52
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.
5HNX_B_TA1B902_1
(TUBULIN BETA-2B
CHAIN)		 6etz BETA-GALACTOSIDASE
(Arthrobacter
sp.
32cB) 		5 / 12 LEU A 756
LEU A 842
THR A 832
ARG A 815
ARG A 740
 None
None
None
MLI  A1106 (-3.6A)
None
 1.24A 5hnxB-6etzA:
undetectable		 5hnxB-6etzA:
11.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HYR_A_ESTA601_1
(ESTROGEN RECEPTOR)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		5 / 10 ALA A 363
GLU A 362
LEU A 358
ARG A  48
LEU A 414
 None
MLI  A 905 ( 4.5A)
None
None
None
 1.50A 5hyrA-5favA:
undetectable		 5hyrA-5favA:
15.70
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.
5I3C_C_AC2C301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4gys ALLOPHANATE
HYDROLASE
(Granulibacter
bethesdensis) 		5 / 11 SER A 172
GLY A 166
VAL A 207
SER A 149
ILE A  77
 MLI  A1000 (-4.2A)
None
None
None
None
 1.24A 5i3cC-4gysA:
undetectable		 5i3cC-4gysA:
17.68
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.
5I8F_A_ML1A210_1
(PHENOLIC OXIDATIVE
COUPLING PROTEIN)		 6apg DISD PROTEIN
(Sorangium
cellulosum) 		5 / 12 GLN A  58
LEU A  35
VAL A  34
TYR A 209
GLY A 104
 MLI  A 301 ( 4.6A)
None
None
None
None
 1.36A 5i8fA-6apgA:
undetectable		 5i8fA-6apgA:
17.95
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.
5IGY_A_ERYA403_0
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 4dwq TRNA-SPLICING LIGASE
RTCB
(Pyrococcus
horikoshii) 		5 / 12 ILE A  92
ASN A 330
HIS A 349
ALA A 353
MET A 175
 None
MLI  A 503 (-4.1A)
None
None
None
 1.22A 5igyA-4dwqA:
undetectable		 5igyA-4dwqA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JMN_B_FUAB1101_1
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)		 5l6m RIBONUCLEASE VAPC
VAPB FAMILY PROTEIN
(Caulobacter
vibrioides) 		4 / 5 ILE B  31
LEU A  56
HIS B  12
VAL B   9
 MLI  A 101 (-4.3A)
None
None
None
 1.20A 5jmnB-5l6mB:
undetectable		 5jmnB-5l6mB:
8.92
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.
5KC0_A_RBFA303_1
(RIBOFLAVIN
TRANSPORTER RIBU)		 4pne METHYLTRANSFERASE-LI
KE PROTEIN
(Saccharopolyspor
a
spinosa) 		5 / 12 GLU A 152
GLY A  82
ALA A  34
ASN A  31
PHE A 234
 SAH  A 301 (-2.2A)
SAH  A 301 (-2.9A)
None
None
MLI  A 302 ( 4.2A)
 1.48A 5kc0A-4pneA:
undetectable		 5kc0A-4pneA:
19.37
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.
5KKZ_K_ASCK1004_0
(CYTOCHROME B
UBIQUINOL-CYTOCHROME
C REDUCTASE
IRON-SULFUR SUBUNIT)		 3u1t DMMA HALOALKANE
DEHALOGENASE
(unidentified) 		4 / 7 HIS A 315
VAL A 220
GLN A 318
HIS A 321
 MLI  A 351 (-3.3A)
None
None
None
 1.06A 5kkzK-3u1tA:
undetectable
5kkzQ-3u1tA:
undetectable		 5kkzK-3u1tA:
21.09
5kkzQ-3u1tA:
21.90
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.
5KLA_A_ACTA1505_0
(MATERNAL PROTEIN
PUMILIO)		 5jj2 A-KINASE ANCHOR
PROTEIN 7 ISOFORM
GAMMA
(Homo
sapiens) 		3 / 3 HIS A 219
LYS A 182
PHE A 180
 MLI  A 301 (-4.0A)
None
None
 1.37A 5klaA-5jj2A:
undetectable		 5klaA-5jj2A:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KOC_A_SAMA401_0
(PAVINE
N-METHYLTRANSFERASE)		 3odm PHOSPHOENOLPYRUVATE
CARBOXYLASE
(Clostridium
perfringens) 		5 / 12 SER A 201
ASN A 253
ALA A 272
LEU A 273
HIS A 277
 MLI  A 901 (-2.4A)
None
None
None
None
 1.08A 5kocA-3odmA:
undetectable		 5kocA-3odmA:
23.20
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.
5KOC_B_SAMB401_0
(PAVINE
N-METHYLTRANSFERASE)		 3odm PHOSPHOENOLPYRUVATE
CARBOXYLASE
(Clostridium
perfringens) 		5 / 12 GLY A 247
SER A 201
ASN A 253
LEU A 273
HIS A 277
 None
MLI  A 901 (-2.4A)
None
None
None
 1.05A 5kocB-3odmA:
undetectable		 5kocB-3odmA:
23.20
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.
5LF7_K_6V8K305_0
(PROTEASOME SUBUNIT
BETA TYPE-1
PROTEASOME SUBUNIT
BETA TYPE-5)		 2ri6 2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE
(Paraburkholderia
xenovorans) 		6 / 11 ALA A 116
THR A 117
ALA A 118
GLY A  42
GLY A  41
ALA A 112
 None
None
None
MLI  A   2 (-3.5A)
MLI  A   2 (-3.5A)
MLI  A   2 (-3.2A)
 1.41A 5lf7K-2ri6A:
undetectable
5lf7L-2ri6A:
undetectable		 5lf7K-2ri6A:
21.55
5lf7L-2ri6A:
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.
5LF7_Y_6V8Y306_0
(PROTEASOME SUBUNIT
BETA TYPE-1
PROTEASOME SUBUNIT
BETA TYPE-5)		 2ri6 2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE
(Paraburkholderia
xenovorans) 		6 / 11 ALA A 116
THR A 117
ALA A 118
GLY A  42
GLY A  41
ALA A 112
 None
None
None
MLI  A   2 (-3.5A)
MLI  A   2 (-3.5A)
MLI  A   2 (-3.2A)
 1.41A 5lf7Y-2ri6A:
undetectable
5lf7Z-2ri6A:
undetectable		 5lf7Y-2ri6A:
21.55
5lf7Z-2ri6A:
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.
5LJE_A_RTLA201_1
(RETINOL-BINDING
PROTEIN 1)		 4ryf ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT
(Listeria
monocytogenes) 		4 / 6 LEU H 126
ILE H 120
MET H 175
MET H 154
 None
None
None
MLI  H 301 ( 4.6A)
 0.91A 5ljeA-4ryfH:
undetectable		 5ljeA-4ryfH:
19.25
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.
5MHW_A_CUA601_0
(LACCASE 2)		 5ebb ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A
(Homo
sapiens) 		4 / 4 HIS A 295
HIS A 152
HIS A 114
HIS A  47
 ZN  A 702 ( 3.4A)
MLI  A 706 (-3.9A)
MLI  A 706 (-3.9A)
ZN  A 702 ( 3.4A)
 0.81A 5mhwA-5ebbA:
undetectable		 5mhwA-5ebbA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHX_A_CUA601_0
(LACCASE 2)		 5ebb ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A
(Homo
sapiens) 		4 / 4 HIS A 295
HIS A 152
HIS A 114
HIS A  47
 ZN  A 702 ( 3.4A)
MLI  A 706 (-3.9A)
MLI  A 706 (-3.9A)
ZN  A 702 ( 3.4A)
 0.81A 5mhxA-5ebbA:
undetectable		 5mhxA-5ebbA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHY_A_CUA601_0
(LACCASE 2)		 5ebb ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A
(Homo
sapiens) 		4 / 4 HIS A 295
HIS A 152
HIS A 114
HIS A  47
 ZN  A 702 ( 3.4A)
MLI  A 706 (-3.9A)
MLI  A 706 (-3.9A)
ZN  A 702 ( 3.4A)
 0.81A 5mhyA-5ebbA:
undetectable		 5mhyA-5ebbA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHZ_A_CUA601_0
(LACCASE 2)		 5ebb ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A
(Homo
sapiens) 		4 / 4 HIS A 295
HIS A 152
HIS A 114
HIS A  47
 ZN  A 702 ( 3.4A)
MLI  A 706 (-3.9A)
MLI  A 706 (-3.9A)
ZN  A 702 ( 3.4A)
 0.82A 5mhzA-5ebbA:
undetectable		 5mhzA-5ebbA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MI1_A_CUA601_0
(LACCASE 2)		 5ebb ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A
(Homo
sapiens) 		4 / 4 HIS A 295
HIS A 152
HIS A 114
HIS A  47
 ZN  A 702 ( 3.4A)
MLI  A 706 (-3.9A)
MLI  A 706 (-3.9A)
ZN  A 702 ( 3.4A)
 0.82A 5mi1A-5ebbA:
undetectable		 5mi1A-5ebbA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MI2_A_CUA601_0
(LACCASE 2)		 5ebb ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A
(Homo
sapiens) 		4 / 4 HIS A 295
HIS A 152
HIS A 114
HIS A  47
 ZN  A 702 ( 3.4A)
MLI  A 706 (-3.9A)
MLI  A 706 (-3.9A)
ZN  A 702 ( 3.4A)
 0.82A 5mi2A-5ebbA:
undetectable		 5mi2A-5ebbA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIA_A_CUA601_0
(LACCASE 2)		 5ebb ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A
(Homo
sapiens) 		4 / 4 HIS A 295
HIS A 152
HIS A 114
HIS A  47
 ZN  A 702 ( 3.4A)
MLI  A 706 (-3.9A)
MLI  A 706 (-3.9A)
ZN  A 702 ( 3.4A)
 0.83A 5miaA-5ebbA:
undetectable		 5miaA-5ebbA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIB_A_CUA601_0
(LACCASE 2)		 5ebb ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A
(Homo
sapiens) 		4 / 4 HIS A 295
HIS A 152
HIS A 114
HIS A  47
 ZN  A 702 ( 3.4A)
MLI  A 706 (-3.9A)
MLI  A 706 (-3.9A)
ZN  A 702 ( 3.4A)
 0.83A 5mibA-5ebbA:
undetectable		 5mibA-5ebbA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIC_A_CUA601_0
(LACCASE 2)		 5ebb ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A
(Homo
sapiens) 		4 / 4 HIS A 295
HIS A 152
HIS A 114
HIS A  47
 ZN  A 702 ( 3.4A)
MLI  A 706 (-3.9A)
MLI  A 706 (-3.9A)
ZN  A 702 ( 3.4A)
 0.82A 5micA-5ebbA:
undetectable		 5micA-5ebbA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MID_A_CUA601_0
(LACCASE 2)		 5ebb ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A
(Homo
sapiens) 		4 / 4 HIS A 295
HIS A 152
HIS A 114
HIS A  47
 ZN  A 702 ( 3.4A)
MLI  A 706 (-3.9A)
MLI  A 706 (-3.9A)
ZN  A 702 ( 3.4A)
 0.82A 5midA-5ebbA:
undetectable		 5midA-5ebbA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIE_A_CUA601_0
(LACCASE 2)		 5ebb ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A
(Homo
sapiens) 		4 / 4 HIS A 295
HIS A 152
HIS A 114
HIS A  47
 ZN  A 702 ( 3.4A)
MLI  A 706 (-3.9A)
MLI  A 706 (-3.9A)
ZN  A 702 ( 3.4A)
 0.83A 5mieA-5ebbA:
undetectable		 5mieA-5ebbA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MRA_B_DM2B204_1
(SORCIN)		 3fnc PUTATIVE
ACETYLTRANSFERASE
(Listeria
innocua) 		4 / 6 TYR A 147
PHE A  40
ASP A 145
GLY A 148
 None
MLI  A 161 (-4.8A)
None
None
 1.18A 5mraA-3fncA:
undetectable
5mraB-3fncA:
undetectable		 5mraA-3fncA:
21.67
5mraB-3fncA:
21.67
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.
5N0O_A_SAMA501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 4kh3 ANTIGEN 43
(Escherichia
coli) 		5 / 12 GLY A  26
HIS A   6
VAL A   4
PHE A  23
VAL A  71
 MLI  A 601 (-3.2A)
None
None
None
None
 1.14A 5n0oA-4kh3A:
undetectable		 5n0oA-4kh3A:
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.
5N0R_A_SAMA501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 4kh3 ANTIGEN 43
(Escherichia
coli) 		5 / 12 GLY A  26
HIS A   6
VAL A   4
PHE A  23
VAL A  71
 MLI  A 601 (-3.2A)
None
None
None
None
 1.13A 5n0rA-4kh3A:
undetectable		 5n0rA-4kh3A:
21.22
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.
5N0S_B_SAMB501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 3f4w PUTATIVE HEXULOSE 6
PHOSPHATE SYNTHASE
(Salmonella
enterica) 		5 / 12 VAL A  31
GLN A   4
ILE A 203
ALA A 200
VAL A 186
 None
None
None
None
MLI  A 300 ( 4.6A)
 1.14A 5n0sB-3f4wA:
undetectable		 5n0sB-3f4wA:
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.
5N0T_A_SAMA501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 4kh3 ANTIGEN 43
(Escherichia
coli) 		5 / 12 GLY A  26
HIS A   6
VAL A   4
PHE A  23
VAL A  71
 MLI  A 601 (-3.2A)
None
None
None
None
 1.09A 5n0tA-4kh3A:
undetectable		 5n0tA-4kh3A:
21.22
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.
5NCD_D_ACTD301_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 2zoa PHOSPHOHYDROLASE
(Klebsiella
aerogenes) 		4 / 4 ASP A  50
HIS A 156
HIS A 195
HIS A  81
 FE2  A 276 (-2.7A)
FE2  A 276 (-3.6A)
FE2  A 276 ( 3.5A)
MLI  A 277 (-4.3A)
 1.47A 5ncdD-2zoaA:
2.4		 5ncdD-2zoaA:
22.18
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.
5NM5_B_LOCB502_1
(TUBULIN ALPHA-1B
CHAIN
TUBULIN BETA-2B
CHAIN)		 4lps HYDROGENASE/UREASE
NICKEL INCORPORATION
PROTEIN HYPB
(Helicobacter
pylori) 		4 / 4 ASN A  50
SER A 238
ALA A 150
VAL A  48
 None
MLI  A 309 ( 4.2A)
None
None
 1.20A 5nm5A-4lpsA:
undetectable		 5nm5A-4lpsA:
19.61
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.
5NWV_A_ACAA18_2
(SCRFP-TAG,GP41)		 3bdz P450CIN
(Citrobacter
braakii) 		4 / 7 LEU A 237
ASP A 241
ALA A 244
LEU A 247
 MLI  A 500 ( 4.5A)
None
None
None
 1.07A 5nwvA-3bdzA:
undetectable		 5nwvA-3bdzA:
8.17
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.
5TL8_A_X2NA502_1
(PROTEIN CYP51)		 4cp8 ALLOPHANATE
HYDROLASE
(Pseudomonas
sp.
ADP) 		5 / 12 ALA A 218
ALA A 174
ALA A 172
THR A 133
THR A 140
 None
None
None
None
MLI  A1466 ( 4.9A)
 1.22A 5tl8A-4cp8A:
undetectable		 5tl8A-4cp8A:
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.
5TZO_B_7V7B201_2
(ENDO-1,4-BETA-XYLANA
SE A)		 5fav CHOLINE
TRIMETHYLAMINE-LYASE
(Desulfovibrio
alaskensis) 		3 / 3 ARG A 274
PRO A 112
TYR A 106
 None
None
MLI  A 904 (-4.5A)
 1.04A 5tzoB-5favA:
undetectable		 5tzoB-5favA:
13.19
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.
5UMX_B_RBFB202_1
(GLYOXALASE/BLEOMYCIN
RESISANCE
PROTEIN/DIOXYGENASE)		 4pne METHYLTRANSFERASE-LI
KE PROTEIN
(Saccharopolyspor
a
spinosa) 		5 / 10 LEU A  30
GLN A 233
GLY A  43
HIS A  41
TRP A  53
 MLI  A 302 ( 4.7A)
None
None
SAH  A 301 ( 3.6A)
None
 1.33A 5umxA-4pneA:
0.0
5umxB-4pneA:
0.9		 5umxA-4pneA:
21.37
5umxB-4pneA:
21.37
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.
5VCV_A_1N1A404_1
(MEMBRANE-ASSOCIATED
TYROSINE- AND
THREONINE-SPECIFIC
CDC2-INHIBITORY
KINASE)		 3q60 ROP5B
(Toxoplasma
gondii) 		6 / 12 LEU A 240
ALA A 261
LYS A 263
LEU A 335
PHE A 396
GLY A 406
 None
ATP  A 600 (-3.6A)
MLI  A 601 ( 2.8A)
MLI  A 601 (-4.7A)
ATP  A 600 (-4.4A)
None
 0.92A 5vcvA-3q60A:
19.0		 5vcvA-3q60A:
26.54
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.
5VOO_E_C2FE3001_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 4fva 5'-TYROSYL-DNA
PHOSPHODIESTERASE
(Caenorhabditis
elegans) 		4 / 5 ASN A 273
ASP A 271
ASN A 126
ASP A 128
 MLI  A 403 (-3.2A)
MLI  A 403 ( 4.5A)
MLI  A 403 (-4.2A)
MG  A 402 (-3.3A)
 1.23A 5vooE-4fvaA:
undetectable		 5vooE-4fvaA:
22.47
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.
5VOP_B_C2FB3001_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 4fva 5'-TYROSYL-DNA
PHOSPHODIESTERASE
(Caenorhabditis
elegans) 		3 / 3 ASP A 271
ASN A 126
ASP A 128
 MLI  A 403 ( 4.5A)
MLI  A 403 (-4.2A)
MG  A 402 (-3.3A)
 0.88A 5vopB-4fvaA:
undetectable		 5vopB-4fvaA:
22.47
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.
5W7B_B_PA1B204_1
(ACYLOXYACYL
HYDROLASE SMALL
SUBUNIT
ACYLOXYACYL
HYDROLASE LARGE
SUBUNIT)		 3l6c SERINE RACEMASE
(Rattus
norvegicus) 		3 / 3 GLY A 186
ASN A 154
ARG A 135
 PLP  A 350 (-3.6A)
PLP  A 350 (-4.3A)
MLI  A 341 (-3.2A)
 0.77A 5w7bD-3l6cA:
undetectable		 5w7bD-3l6cA:
13.51
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.
5W7B_B_PA1B204_1
(ACYLOXYACYL
HYDROLASE SMALL
SUBUNIT
ACYLOXYACYL
HYDROLASE LARGE
SUBUNIT)		 3l6r SERINE RACEMASE
(Homo
sapiens) 		3 / 3 GLY A 186
ASN A 154
ARG A 135
 LLP  A  56 ( 3.7A)
LLP  A  56 ( 4.7A)
MLI  A 347 (-3.0A)
 0.79A 5w7bD-3l6rA:
undetectable		 5w7bD-3l6rA:
12.20
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.
5WAU_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 6bii GLYOXYLATE REDUCTASE
(Pyrococcus
yayanosii) 		4 / 8 ASP A 246
THR A 247
HIS A 288
LEU A 227
 None
None
MLI  A 402 ( 3.8A)
None
 1.16A 5wauA-6biiA:
undetectable
5wauC-6biiA:
undetectable
5wauc-6biiA:
undetectable		 5wauA-6biiA:
undetectable
5wauC-6biiA:
undetectable
5wauc-6biiA:
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.
5YBB_A_SAMA601_1
(TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLTRANSFERASE
SUBUNIT)		 4gn1 RAS-ASSOCIATED AND
PLECKSTRIN HOMOLOGY
DOMAINS-CONTAINING
PROTEIN 1
(Homo
sapiens) 		4 / 5 PHE A 327
THR A 292
GLU A 328
ASN A 498
 MLI  A 601 (-4.8A)
None
None
None
 1.24A 5ybbA-4gn1A:
undetectable		 5ybbA-4gn1A:
19.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z0F_B_DAHB98_0
(MELC
TYROSINASE)		 5ebb ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A
(Homo
sapiens) 		5 / 11 HIS A 295
HIS A 152
HIS A 114
VAL A 115
PRO A  50
 ZN  A 702 ( 3.4A)
MLI  A 706 (-3.9A)
MLI  A 706 (-3.9A)
None
NAG  A 704 ( 4.7A)
 1.34A 5z0fA-5ebbA:
undetectable
5z0fB-5ebbA:
undetectable		 5z0fA-5ebbA:
15.73
5z0fB-5ebbA:
11.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z0G_B_DAHB98_0
(MELC
TYROSINASE)		 5ebb ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A
(Homo
sapiens) 		5 / 11 HIS A 295
HIS A 152
HIS A 114
VAL A 115
PRO A  50
 ZN  A 702 ( 3.4A)
MLI  A 706 (-3.9A)
MLI  A 706 (-3.9A)
None
NAG  A 704 ( 4.7A)
 1.37A 5z0gA-5ebbA:
undetectable
5z0gB-5ebbA:
undetectable		 5z0gA-5ebbA:
15.73
5z0gB-5ebbA:
11.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z0H_B_DAHB98_0
(MELC
TYROSINASE)		 5ebb ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A
(Homo
sapiens) 		5 / 11 HIS A 295
HIS A 152
HIS A 114
VAL A 115
PRO A  50
 ZN  A 702 ( 3.4A)
MLI  A 706 (-3.9A)
MLI  A 706 (-3.9A)
None
NAG  A 704 ( 4.7A)
 1.39A 5z0hA-5ebbA:
undetectable
5z0hB-5ebbA:
undetectable		 5z0hA-5ebbA:
15.73
5z0hB-5ebbA:
11.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z0I_B_DAHB98_0
(MELC
TYROSINASE)		 5ebb ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A
(Homo
sapiens) 		5 / 11 HIS A 295
HIS A 152
HIS A 114
VAL A 115
PRO A  50
 ZN  A 702 ( 3.4A)
MLI  A 706 (-3.9A)
MLI  A 706 (-3.9A)
None
NAG  A 704 ( 4.7A)
 1.37A 5z0iA-5ebbA:
undetectable
5z0iB-5ebbA:
0.0		 5z0iA-5ebbA:
15.73
5z0iB-5ebbA:
11.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z0J_B_DAHB98_0
(MELC
TYROSINASE)		 5ebb ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A
(Homo
sapiens) 		5 / 11 HIS A 295
HIS A 152
HIS A 114
VAL A 115
PRO A  50
 ZN  A 702 ( 3.4A)
MLI  A 706 (-3.9A)
MLI  A 706 (-3.9A)
None
NAG  A 704 ( 4.7A)
 1.36A 5z0jA-5ebbA:
undetectable
5z0jB-5ebbA:
undetectable		 5z0jA-5ebbA:
15.73
5z0jB-5ebbA:
11.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z0K_B_DAHB98_0
(MELC
TYROSINASE)		 5ebb ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A
(Homo
sapiens) 		5 / 11 HIS A 295
HIS A 152
HIS A 114
VAL A 115
PRO A  50
 ZN  A 702 ( 3.4A)
MLI  A 706 (-3.9A)
MLI  A 706 (-3.9A)
None
NAG  A 704 ( 4.7A)
 1.37A 5z0kA-5ebbA:
undetectable
5z0kB-5ebbA:
undetectable		 5z0kA-5ebbA:
15.73
5z0kB-5ebbA:
11.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z0L_B_DAHB98_0
(MELC
TYROSINASE)		 5ebb ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A
(Homo
sapiens) 		5 / 11 HIS A 295
HIS A 152
HIS A 114
VAL A 115
PRO A  50
 ZN  A 702 ( 3.4A)
MLI  A 706 (-3.9A)
MLI  A 706 (-3.9A)
None
NAG  A 704 ( 4.7A)
 1.39A 5z0lA-5ebbA:
undetectable
5z0lB-5ebbA:
undetectable		 5z0lA-5ebbA:
15.73
5z0lB-5ebbA:
11.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z0M_B_DAHB98_0
(MELC
TYROSINASE)		 5ebb ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A
(Homo
sapiens) 		5 / 11 HIS A 295
HIS A 152
HIS A 114
VAL A 115
PRO A  50
 ZN  A 702 ( 3.4A)
MLI  A 706 (-3.9A)
MLI  A 706 (-3.9A)
None
NAG  A 704 ( 4.7A)
 1.40A 5z0mA-5ebbA:
undetectable
5z0mB-5ebbA:
undetectable		 5z0mA-5ebbA:
15.73
5z0mB-5ebbA:
11.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZV2_A_LEVA801_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1)		 3q60 ROP5B
(Toxoplasma
gondii) 		3 / 3 LYS A 263
LEU A 304
ASP A 407
 MLI  A 601 ( 2.8A)
ATP  A 600 ( 4.8A)
MG  A 602 ( 2.5A)
 0.84A 5zv2A-3q60A:
18.9		 5zv2A-3q60A:
12.43
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.
5ZVG_A_SAMA401_0
(389AA LONG
HYPOTHETICAL
NUCLEOLAR PROTEIN)		 4ius GCN5-RELATED
N-ACETYLTRANSFERASE
(Kribbella
flavida) 		5 / 12 ALA A 207
GLY A 215
ALA A 203
ARG A 231
TYR A 233
 None
None
None
MLI  A 501 (-3.8A)
None
 1.28A 5zvgA-4iusA:
undetectable		 5zvgA-4iusA:
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.
5ZVG_A_SAMA401_1
(389AA LONG
HYPOTHETICAL
NUCLEOLAR PROTEIN)		 6etz BETA-GALACTOSIDASE
(Arthrobacter
sp.
32cB) 		3 / 3 ASP A 830
ARG A 815
ASP A 849
 None
MLI  A1106 (-3.6A)
None
 0.88A 5zvgA-6etzA:
undetectable		 5zvgA-6etzA:
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.
5ZVG_B_SAMB401_0
(389AA LONG
HYPOTHETICAL
NUCLEOLAR PROTEIN)		 4ius GCN5-RELATED
N-ACETYLTRANSFERASE
(Kribbella
flavida) 		5 / 12 ALA A 207
GLY A 215
ALA A 203
ARG A 231
TYR A 233
 None
None
None
MLI  A 501 (-3.8A)
None
 1.28A 5zvgB-4iusA:
undetectable		 5zvgB-4iusA:
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.
6AG0_A_ACRA606_0
(ALPHA-AMYLASE)		 2ri6 2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE
(Paraburkholderia
xenovorans) 		5 / 7 GLY A 115
GLY A 114
GLY A  41
GLY A  43
GLY A  42
 None
None
MLI  A   2 (-3.5A)
MLI  A   2 (-3.5A)
MLI  A   2 (-3.5A)
 1.04A 6ag0A-2ri6A:
undetectable		 6ag0A-2ri6A:
14.49
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.
6BPL_B_PA1B605_1
(LIPID A EXPORT
ATP-BINDING/PERMEASE
PROTEIN MSBA)		 3odm PHOSPHOENOLPYRUVATE
CARBOXYLASE
(Clostridium
perfringens) 		3 / 3 ARG A 344
ARG A  93
ARG A  82
 AUC  A 607 (-3.3A)
None
MLI  A 901 (-2.8A)
 1.07A 6bplA-3odmA:
2.3
6bplB-3odmA:
undetectable		 6bplA-3odmA:
10.42
6bplB-3odmA:
10.42
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.
6BPL_B_PA1B605_1
(LIPID A EXPORT
ATP-BINDING/PERMEASE
PROTEIN MSBA)		 3odm PHOSPHOENOLPYRUVATE
CARBOXYLASE
(Clostridium
perfringens) 		3 / 3 ARG A 390
ARG A  93
ARG A  82
 AUC  A 607 ( 4.5A)
None
MLI  A 901 (-2.8A)
 1.03A 6bplA-3odmA:
2.3
6bplB-3odmA:
undetectable		 6bplA-3odmA:
10.42
6bplB-3odmA:
10.42
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.
6C2M_C_SUEC1203_0
(NS3 PROTEASE)		 6apg DISD PROTEIN
(Sorangium
cellulosum) 		5 / 12 GLN A  58
VAL A 222
GLY A  10
ALA A 125
VAL A 126
 MLI  A 301 ( 4.6A)
None
None
None
None
 1.04A 6c2mC-6apgA:
undetectable		 6c2mC-6apgA:
21.69
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.
6C71_B_NCTB501_1
(AMINE OXIDASE)		 4gn1 RAS-ASSOCIATED AND
PLECKSTRIN HOMOLOGY
DOMAINS-CONTAINING
PROTEIN 1
(Homo
sapiens) 		4 / 8 LEU A 509
TYR A 505
GLU A 331
ASN A 449
 None
None
None
MLI  A 601 (-4.0A)
 1.09A 6c71B-4gn1A:
undetectable		 6c71B-4gn1A:
14.69
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.
6CP4_A_CAMA422_0
(CYTOCHROME P450CAM)		 4dwq TRNA-SPLICING LIGASE
RTCB
(Pyrococcus
horikoshii) 		4 / 8 TYR A  59
VAL A 339
VAL A 348
VAL A 346
 None
MLI  A 504 ( 4.4A)
None
None
 1.08A 6cp4A-4dwqA:
undetectable		 6cp4A-4dwqA:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DIL_B_TPVB201_1
(HIV-1 PROTEASE)		 3gmi UPF0348 PROTEIN
MJ0951
(Methanocaldococc
us
jannaschii) 		6 / 12 LEU A 312
ILE A 123
GLY A 125
PRO A 289
VAL A 292
ILE A 324
 None
None
MLI  A 401 (-3.3A)
None
None
None
 1.44A 6dilB-3gmiA:
undetectable		 6dilB-3gmiA:
12.43
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.
6EXI_C_ADNC502_0
(ADENOSYLHOMOCYSTEINA
SE)		 4dwq TRNA-SPLICING LIGASE
RTCB
(Pyrococcus
horikoshii) 		5 / 12 HIS A  67
GLN A  46
THR A  43
ASN A 330
HIS A 404
 POP  A 509 (-3.7A)
None
None
MLI  A 503 (-4.1A)
5GP  A 501 (-3.0A)
 1.49A 6exiC-4dwqA:
undetectable		 6exiC-4dwqA:
11.43
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.
6GIQ_A_CUA601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 5ebb ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A
(Homo
sapiens) 		3 / 3 HIS A 152
HIS A 114
HIS A  47
 MLI  A 706 (-3.9A)
MLI  A 706 (-3.9A)
ZN  A 702 ( 3.4A)
 0.75A 6giqa-5ebbA:
undetectable		 6giqa-5ebbA:
19.71
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.
6MDQ_A_TESA605_0
(SERUM ALBUMIN)		 4m9d ADENYLOSUCCINATE
SYNTHETASE
(Bacillus
anthracis) 		4 / 8 HIS A  41
GLY A  15
GLY A   8
GLU A 220
 MLI  A 502 (-4.2A)
MLI  A 502 (-3.3A)
None
None
 0.75A 6mdqA-4m9dA:
undetectable		 6mdqA-4m9dA:
11.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MN5_A_LLLA301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 4w5u CHITINASE
(Streptomyces
thermoviolaceus) 		4 / 6 ASP B 251
TYR B 184
GLU B 183
ASP B 181
 MLI  B 501 ( 4.7A)
None
None
None
 1.35A 6mn5A-4w5uB:
undetectable		 6mn5A-4w5uB:
13.45
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.
6MN5_C_LLLC301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 4w5u CHITINASE
(Streptomyces
thermoviolaceus) 		4 / 6 ASP B 251
TYR B 184
GLU B 183
ASP B 181
 MLI  B 501 ( 4.7A)
None
None
None
 1.32A 6mn5C-4w5uB:
undetectable		 6mn5C-4w5uB:
13.45
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.
6NM4_B_SAMB402_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
PRDM9)		 5tch TRYPTOPHAN SYNTHASE
BETA CHAIN
(Mycobacterium
tuberculosis) 		5 / 9 ALA B 316
GLY B 317
LEU B 318
GLY B 393
ARG B 155
 MLI  B 501 (-3.6A)
LLP  B 101 ( 4.2A)
None
None
None
 1.07A 6nm4B-5tchB:
undetectable		 6nm4B-5tchB:
18.83
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.
6R2E_C_FFOC404_0
(THYMIDYLATE SYNTHASE)		 5ovu BETA-PROTEOBACTERIA
PROTEASOME HOMOLOGUE
(Cupriavidus
metallidurans) 		5 / 10 ILE A 118
ASN A 114
LEU A  70
LEU A 111
GLY A 120
 None
None
None
None
MLI  A 202 ( 3.7A)
 1.48A 6r2eC-5ovuA:
undetectable		 6r2eC-5ovuA:
undetectable