SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'BEZ'


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.
1A4L_B_DCFB853_2
(ADENOSINE DEAMINASE)		 2v7b BENZOATE-COENZYME A
LIGASE
(Paraburkholderia
xenovorans) 		4 / 5 HIS A 203
SER A 410
LEU A 381
GLY A 333
 None
None
None
BEZ  A1529 (-3.6A)
 0.87A 1a4lB-2v7bA:
undetectable		 1a4lB-2v7bA:
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.
1AEG_A_4APA296_1
(CYTOCHROME C
PEROXIDASE)		 1h4o PEROXIREDOXIN 5
(Homo
sapiens) 		4 / 8 GLY A  46
THR A 147
GLY A  41
LEU A 116
 BEZ  A1162 (-3.1A)
BEZ  A1162 ( 4.0A)
None
None
 0.85A 1aegA-1h4oA:
undetectable		 1aegA-1h4oA:
22.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1GXS_A_BEZA601_0
(P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A
P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
B)		 1gxs P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A
P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
B
(Sorghum
bicolor;
Sorghum
bicolor) 		7 / 7 GLY A  62
PRO A  64
ASP A 126
SER A 158
HIS A 160
TRP B 330
ALA B 333
 BEZ  A 601 (-3.7A)
BEZ  A 601 (-3.7A)
BEZ  A 601 (-3.8A)
BEZ  A 601 (-2.7A)
BEZ  A 601 (-3.4A)
BEZ  A 601 ( 4.0A)
BEZ  A 601 ( 3.9A)
 0.01A 1gxsA-1gxsA:
41.5
1gxsB-1gxsA:
0.8		 1gxsA-1gxsA:
100.00
1gxsB-1gxsA:
21.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1GXS_A_BEZA601_0
(P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A
P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
B)		 1gxs P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A
P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
B
(Sorghum
bicolor;
Sorghum
bicolor) 		4 / 7 GLY A  63
ASP A 126
HIS A 160
TRP B 330
 DKA  A 701 (-4.0A)
BEZ  A 601 (-3.8A)
BEZ  A 601 (-3.4A)
BEZ  A 601 ( 4.0A)
 0.86A 1gxsA-1gxsA:
41.5
1gxsB-1gxsA:
0.8		 1gxsA-1gxsA:
100.00
1gxsB-1gxsA:
21.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1GXS_C_BEZC602_0
(P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A
P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
B)		 1gxs P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A
P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
B
(Sorghum
bicolor;
Sorghum
bicolor) 		9 / 9 GLY A  62
PRO A  64
ASP A 126
SER A 158
HIS A 160
MET A 228
TRP A 270
TRP B 330
ALA B 333
 BEZ  A 601 (-3.7A)
BEZ  A 601 (-3.7A)
BEZ  A 601 (-3.8A)
BEZ  A 601 (-2.7A)
BEZ  A 601 (-3.4A)
BEZ  A 601 ( 4.6A)
None
BEZ  A 601 ( 4.0A)
BEZ  A 601 ( 3.9A)
 0.21A 1gxsC-1gxsA:
39.7
1gxsD-1gxsA:
0.8		 1gxsC-1gxsA:
100.00
1gxsD-1gxsA:
21.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1GXS_C_BEZC602_0
(P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A
P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
B)		 1gxs P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A
P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
B
(Sorghum
bicolor;
Sorghum
bicolor) 		7 / 9 GLY A  65
PRO A  64
ASP A 126
MET A 228
TRP A 270
TRP B 330
ALA B 333
 None
BEZ  A 601 (-3.7A)
BEZ  A 601 (-3.8A)
BEZ  A 601 ( 4.6A)
None
BEZ  A 601 ( 4.0A)
BEZ  A 601 ( 3.9A)
 1.47A 1gxsC-1gxsA:
39.7
1gxsD-1gxsA:
0.8		 1gxsC-1gxsA:
100.00
1gxsD-1gxsA:
21.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H4O_A_BEZA1162_0
(PEROXIREDOXIN 5)		 1h4o PEROXIREDOXIN 5
(Homo
sapiens) 		5 / 10 GLY A  46
CYH A  47
LEU A 112
ARG A 127
THR A 147
 BEZ  A1162 (-3.1A)
BEZ  A1162 (-3.3A)
None
BEZ  A1162 (-3.7A)
BEZ  A1162 ( 4.0A)
 1.41A 1h4oA-1h4oA:
36.8
1h4oB-1h4oA:
35.0		 1h4oA-1h4oA:
100.00
1h4oB-1h4oA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H4O_A_BEZA1162_0
(PEROXIREDOXIN 5)		 1h4o PEROXIREDOXIN 5
(Homo
sapiens) 		9 / 10 PRO A  40
THR A  44
PRO A  45
GLY A  46
CYH A  47
LEU A 116
PHE A 120
ARG A 127
THR A 147
 BEZ  A1162 (-4.5A)
BEZ  A1162 (-4.0A)
BEZ  A1162 (-3.7A)
BEZ  A1162 (-3.1A)
BEZ  A1162 (-3.3A)
None
None
BEZ  A1162 (-3.7A)
BEZ  A1162 ( 4.0A)
 0.01A 1h4oA-1h4oA:
36.8
1h4oB-1h4oA:
35.0		 1h4oA-1h4oA:
100.00
1h4oB-1h4oA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H4O_B_BEZB1162_0
(PEROXIREDOXIN 5)		 1h4o PEROXIREDOXIN 5
(Homo
sapiens) 		8 / 8 PRO A  40
THR A  44
PRO A  45
GLY A  46
CYH A  47
PHE A 120
ARG A 127
THR A 147
 BEZ  A1162 (-4.5A)
BEZ  A1162 (-4.0A)
BEZ  A1162 (-3.7A)
BEZ  A1162 (-3.1A)
BEZ  A1162 (-3.3A)
None
BEZ  A1162 (-3.7A)
BEZ  A1162 ( 4.0A)
 0.25A 1h4oB-1h4oA:
35.0		 1h4oB-1h4oA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1H4O_B_BEZB1162_0
(PEROXIREDOXIN 5)		 2v41 PEROXIREDOXIN 6.
(Arenicola
marina) 		4 / 8 PRO A  38
THR A  42
PRO A  43
ARG A 128
 BEZ  A1222 ( 4.6A)
BEZ  A1222 (-3.6A)
BEZ  A1222 (-3.2A)
BEZ  A1222 (-3.3A)
 0.50A 1h4oB-2v41A:
18.5		 1h4oB-2v41A:
25.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H4O_C_BEZC1162_0
(PEROXIREDOXIN 5)		 1h4o PEROXIREDOXIN 5
(Homo
sapiens) 		8 / 9 PRO A  40
THR A  44
PRO A  45
GLY A  46
CYH A  47
PHE A 120
ARG A 127
THR A 147
 BEZ  A1162 (-4.5A)
BEZ  A1162 (-4.0A)
BEZ  A1162 (-3.7A)
BEZ  A1162 (-3.1A)
BEZ  A1162 (-3.3A)
None
BEZ  A1162 (-3.7A)
BEZ  A1162 ( 4.0A)
 0.26A 1h4oC-1h4oA:
35.6
1h4oD-1h4oA:
35.6		 1h4oC-1h4oA:
100.00
1h4oD-1h4oA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H4O_D_BEZD1162_0
(PEROXIREDOXIN 5)		 1h4o PEROXIREDOXIN 5
(Homo
sapiens) 		9 / 9 PRO A  40
THR A  44
PRO A  45
GLY A  46
CYH A  47
LEU A 116
PHE A 120
ARG A 127
THR A 147
 BEZ  A1162 (-4.5A)
BEZ  A1162 (-4.0A)
BEZ  A1162 (-3.7A)
BEZ  A1162 (-3.1A)
BEZ  A1162 (-3.3A)
None
None
BEZ  A1162 (-3.7A)
BEZ  A1162 ( 4.0A)
 0.22A 1h4oD-1h4oA:
35.6		 1h4oD-1h4oA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H4O_E_BEZE1162_0
(PEROXIREDOXIN 5)		 1h4o PEROXIREDOXIN 5
(Homo
sapiens) 		8 / 9 PRO A  40
THR A  44
PRO A  45
GLY A  46
CYH A  47
PHE A 120
ARG A 127
THR A 147
 BEZ  A1162 (-4.5A)
BEZ  A1162 (-4.0A)
BEZ  A1162 (-3.7A)
BEZ  A1162 (-3.1A)
BEZ  A1162 (-3.3A)
None
BEZ  A1162 (-3.7A)
BEZ  A1162 ( 4.0A)
 0.23A 1h4oE-1h4oA:
35.6
1h4oF-1h4oA:
35.7		 1h4oE-1h4oA:
100.00
1h4oF-1h4oA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H4O_F_BEZF1162_0
(PEROXIREDOXIN 5)		 1h4o PEROXIREDOXIN 5
(Homo
sapiens) 		9 / 9 PRO A  40
THR A  44
PRO A  45
GLY A  46
CYH A  47
LEU A 116
PHE A 120
ARG A 127
THR A 147
 BEZ  A1162 (-4.5A)
BEZ  A1162 (-4.0A)
BEZ  A1162 (-3.7A)
BEZ  A1162 (-3.1A)
BEZ  A1162 (-3.3A)
None
None
BEZ  A1162 (-3.7A)
BEZ  A1162 ( 4.0A)
 0.22A 1h4oF-1h4oA:
35.7		 1h4oF-1h4oA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H4O_G_BEZG1162_0
(PEROXIREDOXIN 5)		 1h4o PEROXIREDOXIN 5
(Homo
sapiens) 		8 / 8 PRO A  40
THR A  44
PRO A  45
GLY A  46
CYH A  47
LEU A 116
PHE A 120
ARG A 127
 BEZ  A1162 (-4.5A)
BEZ  A1162 (-4.0A)
BEZ  A1162 (-3.7A)
BEZ  A1162 (-3.1A)
BEZ  A1162 (-3.3A)
None
None
BEZ  A1162 (-3.7A)
 0.07A 1h4oG-1h4oA:
35.6		 1h4oG-1h4oA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1H4O_G_BEZG1162_0
(PEROXIREDOXIN 5)		 2v41 PEROXIREDOXIN 6.
(Arenicola
marina) 		4 / 8 PRO A  38
THR A  42
PRO A  43
ARG A 128
 BEZ  A1222 ( 4.6A)
BEZ  A1222 (-3.6A)
BEZ  A1222 (-3.2A)
BEZ  A1222 (-3.3A)
 0.48A 1h4oG-2v41A:
18.4		 1h4oG-2v41A:
25.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H4O_H_BEZH1162_0
(PEROXIREDOXIN 5)		 1h4o PEROXIREDOXIN 5
(Homo
sapiens) 		9 / 9 PRO A  40
THR A  44
PRO A  45
GLY A  46
CYH A  47
LEU A 116
PHE A 120
ARG A 127
THR A 147
 BEZ  A1162 (-4.5A)
BEZ  A1162 (-4.0A)
BEZ  A1162 (-3.7A)
BEZ  A1162 (-3.1A)
BEZ  A1162 (-3.3A)
None
None
BEZ  A1162 (-3.7A)
BEZ  A1162 ( 4.0A)
 0.25A 1h4oH-1h4oA:
34.8		 1h4oH-1h4oA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HD2_A_BEZA201_0
(PEROXIREDOXIN 5
RESIDUES 54-214)		 1h4o PEROXIREDOXIN 5
(Homo
sapiens) 		5 / 9 GLY A  46
CYH A  47
LEU A 112
ARG A 127
THR A 147
 BEZ  A1162 (-3.1A)
BEZ  A1162 (-3.3A)
None
BEZ  A1162 (-3.7A)
BEZ  A1162 ( 4.0A)
 1.37A 1hd2A-1h4oA:
35.2		 1hd2A-1h4oA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HD2_A_BEZA201_0
(PEROXIREDOXIN 5
RESIDUES 54-214)		 1h4o PEROXIREDOXIN 5
(Homo
sapiens) 		9 / 9 PRO A  40
THR A  44
PRO A  45
GLY A  46
CYH A  47
LEU A 116
PHE A 120
ARG A 127
THR A 147
 BEZ  A1162 (-4.5A)
BEZ  A1162 (-4.0A)
BEZ  A1162 (-3.7A)
BEZ  A1162 (-3.1A)
BEZ  A1162 (-3.3A)
None
None
BEZ  A1162 (-3.7A)
BEZ  A1162 ( 4.0A)
 0.19A 1hd2A-1h4oA:
35.2		 1hd2A-1h4oA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HZ4_A_BEZA784_0
(MALT REGULATORY
PROTEIN)		 1hz4 MALT REGULATORY
PROTEIN
(Escherichia
coli) 		6 / 6 TRP A  87
HIS A  88
LEU A 126
LEU A 129
PRO A 130
MET A 131
 None
BEZ  A 784 (-4.8A)
BEZ  A 784 ( 3.9A)
BEZ  A 784 (-3.8A)
BEZ  A 784 (-3.7A)
BEZ  A 784 (-4.4A)
 0.00A 1hz4A-1hz4A:
62.3		 1hz4A-1hz4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I7Q_A_BEZA1501_0
(ANTHRANILATE
SYNTHASE)		 1i7q ANTHRANILATE
SYNTHASE
(Serratia
marcescens) 		11 / 11 GLU A 309
ILE A 326
GLY A 328
THR A 329
GLU A 361
HIS A 398
LEU A 426
ARG A 469
GLY A 485
GLU A 498
LYS A 502
 BEZ  A1501 (-3.8A)
BEZ  A1501 (-3.9A)
BEZ  A1501 (-3.3A)
BEZ  A1501 (-3.9A)
MG  A1701 ( 3.1A)
BEZ  A1501 ( 4.2A)
PYR  A1601 ( 4.7A)
PYR  A1601 ( 3.9A)
BEZ  A1501 (-3.8A)
MG  A1701 ( 2.6A)
BEZ  A1501 ( 2.9A)
 0.00A 1i7qA-1i7qA:
69.0		 1i7qA-1i7qA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I7Q_A_BEZA1501_0
(ANTHRANILATE
SYNTHASE)		 1i7q ANTHRANILATE
SYNTHASE
(Serratia
marcescens) 		6 / 11 GLU A 309
ILE A 326
THR A 329
HIS A 398
GLY A 483
GLU A 498
 BEZ  A1501 (-3.8A)
BEZ  A1501 (-3.9A)
BEZ  A1501 (-3.9A)
BEZ  A1501 ( 4.2A)
PYR  A1601 (-3.8A)
MG  A1701 ( 2.6A)
 1.42A 1i7qA-1i7qA:
69.0		 1i7qA-1i7qA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1I7Q_A_BEZA1501_0
(ANTHRANILATE
SYNTHASE)		 3r75 ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I
(Burkholderia
lata) 		9 / 11 GLU A 201
ILE A 216
GLY A 218
THR A 219
GLU A 244
HIS A 279
ARG A 352
GLU A 382
LYS A 386
 BEZ  A 701 ( 4.3A)
BEZ  A 701 (-4.2A)
BEZ  A 701 (-3.5A)
BEZ  A 701 (-4.0A)
MG  A 700 ( 2.5A)
BEZ  A 701 (-3.8A)
PYR  A 702 ( 3.9A)
MG  A 700 ( 2.5A)
PYR  A 702 ( 3.1A)
 0.41A 1i7qA-3r75A:
37.7		 1i7qA-3r75A:
24.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I7Q_C_BEZC1502_0
(ANTHRANILATE
SYNTHASE)		 1i7q ANTHRANILATE
SYNTHASE
(Serratia
marcescens) 		10 / 10 GLU A 309
ILE A 326
GLY A 328
THR A 329
GLU A 361
HIS A 398
ARG A 469
GLY A 485
GLU A 498
LYS A 502
 BEZ  A1501 (-3.8A)
BEZ  A1501 (-3.9A)
BEZ  A1501 (-3.3A)
BEZ  A1501 (-3.9A)
MG  A1701 ( 3.1A)
BEZ  A1501 ( 4.2A)
PYR  A1601 ( 3.9A)
BEZ  A1501 (-3.8A)
MG  A1701 ( 2.6A)
BEZ  A1501 ( 2.9A)
 0.15A 1i7qC-1i7qA:
65.7		 1i7qC-1i7qA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I7Q_C_BEZC1502_0
(ANTHRANILATE
SYNTHASE)		 1i7q ANTHRANILATE
SYNTHASE
(Serratia
marcescens) 		6 / 10 GLU A 309
ILE A 326
THR A 329
HIS A 398
GLY A 483
GLU A 498
 BEZ  A1501 (-3.8A)
BEZ  A1501 (-3.9A)
BEZ  A1501 (-3.9A)
BEZ  A1501 ( 4.2A)
PYR  A1601 (-3.8A)
MG  A1701 ( 2.6A)
 1.41A 1i7qC-1i7qA:
65.7		 1i7qC-1i7qA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1I7Q_C_BEZC1502_0
(ANTHRANILATE
SYNTHASE)		 3r75 ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I
(Burkholderia
lata) 		9 / 10 GLU A 201
ILE A 216
GLY A 218
THR A 219
GLU A 244
HIS A 279
ARG A 352
GLU A 382
LYS A 386
 BEZ  A 701 ( 4.3A)
BEZ  A 701 (-4.2A)
BEZ  A 701 (-3.5A)
BEZ  A 701 (-4.0A)
MG  A 700 ( 2.5A)
BEZ  A 701 (-3.8A)
PYR  A 702 ( 3.9A)
MG  A 700 ( 2.5A)
PYR  A 702 ( 3.1A)
 0.39A 1i7qC-3r75A:
33.9		 1i7qC-3r75A:
24.22
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.
1LWE_A_NVPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		 4mf6 GLUTATHIONE
S-TRANSFERASE DOMAIN
(Paraburkholderia
graminis) 		4 / 7 VAL A 203
TYR A 197
GLY A 200
TRP A 189
 None
BEZ  A 303 (-4.2A)
None
GSH  A 302 (-4.4A)
 1.00A 1lweA-4mf6A:
undetectable		 1lweA-4mf6A:
18.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OC3_A_BEZA201_0
(PEROXIREDOXIN 5)		 1h4o PEROXIREDOXIN 5
(Homo
sapiens) 		8 / 8 PRO A  40
THR A  44
PRO A  45
GLY A  46
CYH A  47
PHE A 120
ARG A 127
THR A 147
 BEZ  A1162 (-4.5A)
BEZ  A1162 (-4.0A)
BEZ  A1162 (-3.7A)
BEZ  A1162 (-3.1A)
BEZ  A1162 (-3.3A)
None
BEZ  A1162 (-3.7A)
BEZ  A1162 ( 4.0A)
 0.18A 1oc3A-1h4oA:
35.0		 1oc3A-1h4oA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OC3_A_BEZA201_0
(PEROXIREDOXIN 5)		 2v41 PEROXIREDOXIN 6.
(Arenicola
marina) 		4 / 8 PRO A  38
THR A  42
PRO A  43
ARG A 128
 BEZ  A1222 ( 4.6A)
BEZ  A1222 (-3.6A)
BEZ  A1222 (-3.2A)
BEZ  A1222 (-3.3A)
 0.48A 1oc3A-2v41A:
18.3		 1oc3A-2v41A:
25.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OC3_B_BEZB201_0
(PEROXIREDOXIN 5)		 1h4o PEROXIREDOXIN 5
(Homo
sapiens) 		9 / 9 PRO A  40
THR A  44
PRO A  45
GLY A  46
CYH A  47
LEU A 116
PHE A 120
ARG A 127
THR A 147
 BEZ  A1162 (-4.5A)
BEZ  A1162 (-4.0A)
BEZ  A1162 (-3.7A)
BEZ  A1162 (-3.1A)
BEZ  A1162 (-3.3A)
None
None
BEZ  A1162 (-3.7A)
BEZ  A1162 ( 4.0A)
 0.26A 1oc3B-1h4oA:
34.4		 1oc3B-1h4oA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ONI_A_BEZA502_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 1oni 14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN
(Homo
sapiens) 		4 / 6 PHE A  89
ASN A  90
ASN A  93
ARG A 107
 BEZ  A 502 ( 3.6A)
None
BEZ  A 502 (-3.1A)
BEZ  A 501 ( 3.6A)
 0.97A 1oniA-1oniA:
29.1
1oniB-1oniA:
26.7		 1oniA-1oniA:
100.00
1oniB-1oniA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ONI_D_BEZD508_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 1oni 14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN
(Homo
sapiens) 		4 / 6 PHE A  89
ASN A  90
ASN A  93
ARG A 107
 BEZ  A 502 ( 3.6A)
None
BEZ  A 502 (-3.1A)
BEZ  A 501 ( 3.6A)
 0.99A 1oniD-1oniA:
27.1
1oniF-1oniA:
26.5		 1oniD-1oniA:
100.00
1oniF-1oniA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ONI_I_BEZI518_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 1oni 14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN
(Homo
sapiens) 		4 / 7 PHE A  89
ASN A  90
ASN A  93
ARG A 107
 BEZ  A 502 ( 3.6A)
None
BEZ  A 502 (-3.1A)
BEZ  A 501 ( 3.6A)
 0.44A 1oniG-1oniA:
26.3
1oniI-1oniA:
27.3		 1oniG-1oniA:
100.00
1oniI-1oniA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PXX_B_DIFB1701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 1i7q ANTHRANILATE
SYNTHASE
(Serratia
marcescens) 		5 / 9 VAL A 249
LEU A 252
VAL A 265
GLY A 483
ALA A 484
 None
None
None
PYR  A1601 (-3.8A)
BEZ  A1501 (-4.2A)
 1.28A 1pxxB-1i7qA:
undetectable		 1pxxB-1i7qA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PXX_D_DIFD3701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 1i7q ANTHRANILATE
SYNTHASE
(Serratia
marcescens) 		5 / 10 VAL A 249
LEU A 252
VAL A 265
GLY A 483
ALA A 484
 None
None
None
PYR  A1601 (-3.8A)
BEZ  A1501 (-4.2A)
 1.28A 1pxxD-1i7qA:
0.0		 1pxxD-1i7qA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RUK_H_BEZH601_0
(IMMUNOGLOBULIN
IGG2A, HEAVY CHAIN
IMMUNOGLOBULIN
IGG2A, LIGHT CHAIN)		 3r9s CARNITINYL-COA
DEHYDRATASE
(Mycobacterium
avium) 		4 / 8 ALA A 118
LEU A 117
GLY A 145
GLY A 110
 EDO  A 265 (-4.5A)
None
None
BEZ  A 264 ( 4.7A)
 0.83A 1rukH-3r9sA:
undetectable
1rukL-3r9sA:
undetectable		 1rukH-3r9sA:
20.56
1rukL-3r9sA:
22.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1S9A_A_BEZA306_0
(CHLOROCATECHOL
1,2-DIOXYGENASE)		 1s9a CHLOROCATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		11 / 11 LEU A  49
ASP A  52
ILE A  74
GLY A  76
PRO A  77
TYR A 134
TYR A 169
ARG A 191
HIS A 194
HIS A 196
CYH A 224
 BEZ  A 306 (-4.5A)
TAM  A 305 ( 2.7A)
None
BEZ  A 306 ( 3.5A)
TAM  A 305 ( 4.4A)
FE  A 300 ( 4.3A)
FE  A 300 ( 4.5A)
BEZ  A 306 (-3.8A)
FE  A 300 ( 3.2A)
FE  A 300 ( 3.4A)
BEZ  A 306 (-3.5A)
 0.00A 1s9aA-1s9aA:
40.7		 1s9aA-1s9aA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S9A_A_BEZA306_0
(CHLOROCATECHOL
1,2-DIOXYGENASE)		 1tmx HYDROXYQUINOL
1,2-DIOXYGENASE
(Pimelobacter
simplex) 		7 / 11 GLY A 109
PRO A 110
TYR A 164
TYR A 197
ARG A 218
HIS A 221
HIS A 223
 BEZ  A 881 (-3.5A)
BEZ  A 881 (-4.3A)
FE  A 861 (-4.2A)
FE  A 861 ( 4.4A)
BEZ  A 881 (-3.8A)
FE  A 861 ( 3.3A)
FE  A 861 ( 3.4A)
 0.30A 1s9aA-1tmxA:
28.4		 1s9aA-1tmxA:
30.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S9A_A_BEZA306_0
(CHLOROCATECHOL
1,2-DIOXYGENASE)		 1tmx HYDROXYQUINOL
1,2-DIOXYGENASE
(Pimelobacter
simplex) 		6 / 11 LEU A  80
GLY A 109
TYR A 197
ARG A 218
HIS A 221
HIS A 223
 None
BEZ  A 881 (-3.5A)
FE  A 861 ( 4.4A)
BEZ  A 881 (-3.8A)
FE  A 861 ( 3.3A)
FE  A 861 ( 3.4A)
 1.05A 1s9aA-1tmxA:
28.4		 1s9aA-1tmxA:
30.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1S9A_B_BEZB307_0
(CHLOROCATECHOL
1,2-DIOXYGENASE)		 1s9a CHLOROCATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		12 / 12 LEU A  49
ASP A  52
ILE A  74
GLY A  76
PRO A  77
TYR A 134
TYR A 169
ARG A 191
HIS A 194
HIS A 196
GLN A 210
CYH A 224
 BEZ  A 306 (-4.5A)
TAM  A 305 ( 2.7A)
None
BEZ  A 306 ( 3.5A)
TAM  A 305 ( 4.4A)
FE  A 300 ( 4.3A)
FE  A 300 ( 4.5A)
BEZ  A 306 (-3.8A)
FE  A 300 ( 3.2A)
FE  A 300 ( 3.4A)
BEZ  A 306 ( 4.0A)
BEZ  A 306 (-3.5A)
 0.25A 1s9aB-1s9aA:
36.3		 1s9aB-1s9aA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S9A_B_BEZB307_0
(CHLOROCATECHOL
1,2-DIOXYGENASE)		 1tmx HYDROXYQUINOL
1,2-DIOXYGENASE
(Pimelobacter
simplex) 		5 / 12 ASP A  83
TYR A 164
TYR A 197
HIS A 221
HIS A 223
 BEZ  A 881 (-3.8A)
FE  A 861 (-4.2A)
FE  A 861 ( 4.4A)
FE  A 861 ( 3.3A)
FE  A 861 ( 3.4A)
 0.83A 1s9aB-1tmxA:
28.8		 1s9aB-1tmxA:
30.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S9A_B_BEZB307_0
(CHLOROCATECHOL
1,2-DIOXYGENASE)		 1tmx HYDROXYQUINOL
1,2-DIOXYGENASE
(Pimelobacter
simplex) 		7 / 12 GLY A 109
PRO A 110
TYR A 164
TYR A 197
ARG A 218
HIS A 221
HIS A 223
 BEZ  A 881 (-3.5A)
BEZ  A 881 (-4.3A)
FE  A 861 (-4.2A)
FE  A 861 ( 4.4A)
BEZ  A 881 (-3.8A)
FE  A 861 ( 3.3A)
FE  A 861 ( 3.4A)
 0.31A 1s9aB-1tmxA:
28.8		 1s9aB-1tmxA:
30.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S9A_B_BEZB307_0
(CHLOROCATECHOL
1,2-DIOXYGENASE)		 1tmx HYDROXYQUINOL
1,2-DIOXYGENASE
(Pimelobacter
simplex) 		6 / 12 LEU A  80
GLY A 109
TYR A 197
ARG A 218
HIS A 221
HIS A 223
 None
BEZ  A 881 (-3.5A)
FE  A 861 ( 4.4A)
BEZ  A 881 (-3.8A)
FE  A 861 ( 3.3A)
FE  A 861 ( 3.4A)
 0.87A 1s9aB-1tmxA:
28.8		 1s9aB-1tmxA:
30.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TMX_A_BEZA881_0
(HYDROXYQUINOL
1,2-DIOXYGENASE)		 1s9a CHLOROCATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		7 / 11 GLY A  76
PRO A  77
TYR A 134
TYR A 169
ARG A 191
HIS A 194
HIS A 196
 BEZ  A 306 ( 3.5A)
TAM  A 305 ( 4.4A)
FE  A 300 ( 4.3A)
FE  A 300 ( 4.5A)
BEZ  A 306 (-3.8A)
FE  A 300 ( 3.2A)
FE  A 300 ( 3.4A)
 0.30A 1tmxA-1s9aA:
28.4		 1tmxA-1s9aA:
30.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TMX_A_BEZA881_0
(HYDROXYQUINOL
1,2-DIOXYGENASE)		 1s9a CHLOROCATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		6 / 11 LEU A  49
GLY A  76
TYR A 169
ARG A 191
HIS A 194
HIS A 196
 BEZ  A 306 (-4.5A)
BEZ  A 306 ( 3.5A)
FE  A 300 ( 4.5A)
BEZ  A 306 (-3.8A)
FE  A 300 ( 3.2A)
FE  A 300 ( 3.4A)
 1.05A 1tmxA-1s9aA:
28.4		 1tmxA-1s9aA:
30.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TMX_A_BEZA881_0
(HYDROXYQUINOL
1,2-DIOXYGENASE)		 1s9a CHLOROCATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		5 / 11 LEU A  49
TYR A 169
ILE A 171
HIS A 194
HIS A 196
 BEZ  A 306 (-4.5A)
FE  A 300 ( 4.5A)
None
FE  A 300 ( 3.2A)
FE  A 300 ( 3.4A)
 1.02A 1tmxA-1s9aA:
28.4		 1tmxA-1s9aA:
30.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TMX_A_BEZA881_0
(HYDROXYQUINOL
1,2-DIOXYGENASE)		 1tmx HYDROXYQUINOL
1,2-DIOXYGENASE
(Pimelobacter
simplex) 		6 / 11 LEU A  80
ASP A  83
GLY A 109
ILE A 199
HIS A 221
HIS A 237
 None
BEZ  A 881 (-3.8A)
BEZ  A 881 (-3.5A)
BEZ  A 881 (-4.1A)
FE  A 861 ( 3.3A)
None
 1.43A 1tmxA-1tmxA:
42.9		 1tmxA-1tmxA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TMX_A_BEZA881_0
(HYDROXYQUINOL
1,2-DIOXYGENASE)		 1tmx HYDROXYQUINOL
1,2-DIOXYGENASE
(Pimelobacter
simplex) 		9 / 11 LEU A  80
ASP A  83
GLY A 109
PRO A 110
ILE A 199
ARG A 218
HIS A 237
HIS A 223
VAL A 251
 None
BEZ  A 881 (-3.8A)
BEZ  A 881 (-3.5A)
BEZ  A 881 (-4.3A)
BEZ  A 881 (-4.1A)
BEZ  A 881 (-3.8A)
None
FE  A 861 ( 3.4A)
BEZ  A 881 ( 4.8A)
 1.26A 1tmxA-1tmxA:
42.9		 1tmxA-1tmxA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TMX_A_BEZA881_0
(HYDROXYQUINOL
1,2-DIOXYGENASE)		 1tmx HYDROXYQUINOL
1,2-DIOXYGENASE
(Pimelobacter
simplex) 		11 / 11 LEU A  80
ASP A  83
GLY A 109
PRO A 110
TYR A 164
TYR A 197
ILE A 199
ARG A 218
HIS A 221
HIS A 223
VAL A 251
 None
BEZ  A 881 (-3.8A)
BEZ  A 881 (-3.5A)
BEZ  A 881 (-4.3A)
FE  A 861 (-4.2A)
FE  A 861 ( 4.4A)
BEZ  A 881 (-4.1A)
BEZ  A 881 (-3.8A)
FE  A 861 ( 3.3A)
FE  A 861 ( 3.4A)
BEZ  A 881 ( 4.8A)
 0.00A 1tmxA-1tmxA:
42.9		 1tmxA-1tmxA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TMX_B_BEZB882_0
(HYDROXYQUINOL
1,2-DIOXYGENASE)		 1s9a CHLOROCATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		7 / 12 GLY A  76
PRO A  77
TYR A 134
TYR A 169
ARG A 191
HIS A 194
HIS A 196
 BEZ  A 306 ( 3.5A)
TAM  A 305 ( 4.4A)
FE  A 300 ( 4.3A)
FE  A 300 ( 4.5A)
BEZ  A 306 (-3.8A)
FE  A 300 ( 3.2A)
FE  A 300 ( 3.4A)
 0.37A 1tmxB-1s9aA:
27.7		 1tmxB-1s9aA:
30.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TMX_B_BEZB882_0
(HYDROXYQUINOL
1,2-DIOXYGENASE)		 1tmx HYDROXYQUINOL
1,2-DIOXYGENASE
(Pimelobacter
simplex) 		7 / 12 LEU A  80
ASP A  83
GLY A 109
ILE A 199
HIS A 221
HIS A 237
VAL A 251
 None
BEZ  A 881 (-3.8A)
BEZ  A 881 (-3.5A)
BEZ  A 881 (-4.1A)
FE  A 861 ( 3.3A)
None
BEZ  A 881 ( 4.8A)
 1.39A 1tmxB-1tmxA:
38.5		 1tmxB-1tmxA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TMX_B_BEZB882_0
(HYDROXYQUINOL
1,2-DIOXYGENASE)		 1tmx HYDROXYQUINOL
1,2-DIOXYGENASE
(Pimelobacter
simplex) 		9 / 12 LEU A  80
ASP A  83
GLY A 109
PRO A 110
ILE A 199
ARG A 218
HIS A 237
HIS A 223
VAL A 251
 None
BEZ  A 881 (-3.8A)
BEZ  A 881 (-3.5A)
BEZ  A 881 (-4.3A)
BEZ  A 881 (-4.1A)
BEZ  A 881 (-3.8A)
None
FE  A 861 ( 3.4A)
BEZ  A 881 ( 4.8A)
 1.38A 1tmxB-1tmxA:
38.5		 1tmxB-1tmxA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TMX_B_BEZB882_0
(HYDROXYQUINOL
1,2-DIOXYGENASE)		 1tmx HYDROXYQUINOL
1,2-DIOXYGENASE
(Pimelobacter
simplex) 		12 / 12 LEU A  80
ASP A  83
GLY A 109
PRO A 110
TYR A 164
TYR A 197
ILE A 199
ARG A 218
HIS A 221
HIS A 223
HIS A 237
VAL A 251
 None
BEZ  A 881 (-3.8A)
BEZ  A 881 (-3.5A)
BEZ  A 881 (-4.3A)
FE  A 861 (-4.2A)
FE  A 861 ( 4.4A)
BEZ  A 881 (-4.1A)
BEZ  A 881 (-3.8A)
FE  A 861 ( 3.3A)
FE  A 861 ( 3.4A)
None
BEZ  A 881 ( 4.8A)
 0.56A 1tmxB-1tmxA:
38.5		 1tmxB-1tmxA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TMX_B_BEZB882_0
(HYDROXYQUINOL
1,2-DIOXYGENASE)		 1tmx HYDROXYQUINOL
1,2-DIOXYGENASE
(Pimelobacter
simplex) 		8 / 12 LEU A  80
ASP A  83
GLY A 109
PRO A 110
TYR A 197
ILE A 199
HIS A 221
HIS A 223
 None
BEZ  A 881 (-3.8A)
BEZ  A 881 (-3.5A)
BEZ  A 881 (-4.3A)
FE  A 861 ( 4.4A)
BEZ  A 881 (-4.1A)
FE  A 861 ( 3.3A)
FE  A 861 ( 3.4A)
 1.42A 1tmxB-1tmxA:
38.5		 1tmxB-1tmxA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TMX_B_BEZB882_0
(HYDROXYQUINOL
1,2-DIOXYGENASE)		 1tmx HYDROXYQUINOL
1,2-DIOXYGENASE
(Pimelobacter
simplex) 		6 / 12 LEU A  80
ASP A  83
GLY A 109
TYR A 164
HIS A 221
HIS A 237
 None
BEZ  A 881 (-3.8A)
BEZ  A 881 (-3.5A)
FE  A 861 (-4.2A)
FE  A 861 ( 3.3A)
None
 1.45A 1tmxB-1tmxA:
38.5		 1tmxB-1tmxA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1URM_A_BEZA201_0
(PEROXIREDOXIN 5)		 1h4o PEROXIREDOXIN 5
(Homo
sapiens) 		8 / 9 PRO A  40
THR A  44
PRO A  45
GLY A  46
LEU A 116
PHE A 120
ARG A 127
THR A 147
 BEZ  A1162 (-4.5A)
BEZ  A1162 (-4.0A)
BEZ  A1162 (-3.7A)
BEZ  A1162 (-3.1A)
None
None
BEZ  A1162 (-3.7A)
BEZ  A1162 ( 4.0A)
 0.29A 1urmA-1h4oA:
33.8		 1urmA-1h4oA:
99.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1URM_A_BEZA201_0
(PEROXIREDOXIN 5)		 2v41 PEROXIREDOXIN 6.
(Arenicola
marina) 		5 / 9 PRO A  38
THR A  42
PRO A  43
SER A  45
ARG A 128
 BEZ  A1222 ( 4.6A)
BEZ  A1222 (-3.6A)
BEZ  A1222 (-3.2A)
BEZ  A1222 (-3.0A)
BEZ  A1222 (-3.3A)
 0.52A 1urmA-2v41A:
17.9		 1urmA-2v41A:
25.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V8B_C_ADNC2502_2
(ADENOSYLHOMOCYSTEINA
SE)		 3r9s CARNITINYL-COA
DEHYDRATASE
(Mycobacterium
avium) 		3 / 3 GLU A 114
THR A 113
LEU A 161
 BEZ  A 264 (-2.6A)
None
None
 0.66A 1v8bC-3r9sA:
undetectable		 1v8bC-3r9sA:
19.87
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.
2FN1_A_SALA506_1
(SALICYLATE
SYNTHETASE, IRP9)		 1i7q ANTHRANILATE
SYNTHASE
(Serratia
marcescens) 		9 / 11 GLU A 309
GLY A 328
THR A 329
GLU A 361
HIS A 398
ARG A 469
GLY A 485
GLU A 498
LYS A 502
 BEZ  A1501 (-3.8A)
BEZ  A1501 (-3.3A)
BEZ  A1501 (-3.9A)
MG  A1701 ( 3.1A)
BEZ  A1501 ( 4.2A)
PYR  A1601 ( 3.9A)
BEZ  A1501 (-3.8A)
MG  A1701 ( 2.6A)
BEZ  A1501 ( 2.9A)
 0.31A 2fn1A-1i7qA:
42.3		 2fn1A-1i7qA:
29.04
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.
2FN1_A_SALA506_1
(SALICYLATE
SYNTHETASE, IRP9)		 1i7q ANTHRANILATE
SYNTHASE
(Serratia
marcescens) 		5 / 11 GLU A 309
THR A 329
HIS A 398
GLY A 483
GLU A 498
 BEZ  A1501 (-3.8A)
BEZ  A1501 (-3.9A)
BEZ  A1501 ( 4.2A)
PYR  A1601 (-3.8A)
MG  A1701 ( 2.6A)
 1.35A 2fn1A-1i7qA:
42.3		 2fn1A-1i7qA:
29.04
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.
2FN1_A_SALA506_1
(SALICYLATE
SYNTHETASE, IRP9)		 1i7q ANTHRANILATE
SYNTHASE
(Serratia
marcescens) 		7 / 11 GLY A 328
THR A 329
GLU A 358
HIS A 398
ARG A 469
GLU A 498
LYS A 502
 BEZ  A1501 (-3.3A)
BEZ  A1501 (-3.9A)
MG  A1701 ( 4.3A)
BEZ  A1501 ( 4.2A)
PYR  A1601 ( 3.9A)
MG  A1701 ( 2.6A)
BEZ  A1501 ( 2.9A)
 1.45A 2fn1A-1i7qA:
42.3		 2fn1A-1i7qA:
29.04
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.
2FN1_A_SALA506_1
(SALICYLATE
SYNTHETASE, IRP9)		 3r75 ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I
(Burkholderia
lata) 		8 / 11 GLU A 201
GLY A 218
THR A 219
GLU A 244
HIS A 279
ARG A 352
GLU A 382
LYS A 386
 BEZ  A 701 ( 4.3A)
BEZ  A 701 (-3.5A)
BEZ  A 701 (-4.0A)
MG  A 700 ( 2.5A)
BEZ  A 701 (-3.8A)
PYR  A 702 ( 3.9A)
MG  A 700 ( 2.5A)
PYR  A 702 ( 3.1A)
 0.31A 2fn1A-3r75A:
43.7		 2fn1A-3r75A:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FN1_B_SALB503_1
(SALICYLATE
SYNTHETASE, IRP9)		 1i7q ANTHRANILATE
SYNTHASE
(Serratia
marcescens) 		10 / 11 GLU A 309
GLY A 328
THR A 329
GLU A 361
HIS A 398
THR A 425
ARG A 469
GLY A 485
GLU A 498
LYS A 502
 BEZ  A1501 (-3.8A)
BEZ  A1501 (-3.3A)
BEZ  A1501 (-3.9A)
MG  A1701 ( 3.1A)
BEZ  A1501 ( 4.2A)
BEZ  A1501 (-4.7A)
PYR  A1601 ( 3.9A)
BEZ  A1501 (-3.8A)
MG  A1701 ( 2.6A)
BEZ  A1501 ( 2.9A)
 0.41A 2fn1B-1i7qA:
41.7		 2fn1B-1i7qA:
29.04
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.
2FN1_B_SALB503_1
(SALICYLATE
SYNTHETASE, IRP9)		 1i7q ANTHRANILATE
SYNTHASE
(Serratia
marcescens) 		5 / 11 GLU A 309
THR A 329
HIS A 398
GLY A 483
GLU A 498
 BEZ  A1501 (-3.8A)
BEZ  A1501 (-3.9A)
BEZ  A1501 ( 4.2A)
PYR  A1601 (-3.8A)
MG  A1701 ( 2.6A)
 1.36A 2fn1B-1i7qA:
41.7		 2fn1B-1i7qA:
29.04
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.
2FN1_B_SALB503_1
(SALICYLATE
SYNTHETASE, IRP9)		 1i7q ANTHRANILATE
SYNTHASE
(Serratia
marcescens) 		7 / 11 GLY A 328
THR A 329
GLU A 358
HIS A 398
ARG A 469
GLU A 498
LYS A 502
 BEZ  A1501 (-3.3A)
BEZ  A1501 (-3.9A)
MG  A1701 ( 4.3A)
BEZ  A1501 ( 4.2A)
PYR  A1601 ( 3.9A)
MG  A1701 ( 2.6A)
BEZ  A1501 ( 2.9A)
 1.39A 2fn1B-1i7qA:
41.7		 2fn1B-1i7qA:
29.04
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.
2FN1_B_SALB503_1
(SALICYLATE
SYNTHETASE, IRP9)		 3r75 ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I
(Burkholderia
lata) 		9 / 11 GLU A 201
GLY A 218
THR A 219
GLU A 244
HIS A 279
THR A 304
ARG A 352
GLU A 382
LYS A 386
 BEZ  A 701 ( 4.3A)
BEZ  A 701 (-3.5A)
BEZ  A 701 (-4.0A)
MG  A 700 ( 2.5A)
BEZ  A 701 (-3.8A)
BEZ  A 701 (-4.7A)
PYR  A 702 ( 3.9A)
MG  A 700 ( 2.5A)
PYR  A 702 ( 3.1A)
 0.39A 2fn1B-3r75A:
43.1		 2fn1B-3r75A:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FN1_B_SALB503_1
(SALICYLATE
SYNTHETASE, IRP9)		 3r75 ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I
(Burkholderia
lata) 		5 / 11 GLY A 218
THR A 219
HIS A 279
THR A 369
ARG A 352
 BEZ  A 701 (-3.5A)
BEZ  A 701 (-4.0A)
BEZ  A 701 (-3.8A)
BEZ  A 701 (-4.1A)
PYR  A 702 ( 3.9A)
 1.17A 2fn1B-3r75A:
43.1		 2fn1B-3r75A:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JJ8_C_AZZC1211_1
(DEOXYNUCLEOSIDE
KINASE)		 1hz4 MALT REGULATORY
PROTEIN
(Escherichia
coli) 		5 / 12 TRP A  87
LEU A 126
MET A 131
ARG A  82
ALA A  81
 None
BEZ  A 784 ( 3.9A)
BEZ  A 784 (-4.4A)
None
None
 1.42A 2jj8C-1hz4A:
undetectable		 2jj8C-1hz4A:
21.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Q6U_A_BEZA501_0
(NIKD PROTEIN)		 2q6u NIKD PROTEIN
(Streptomyces
tendae) 		7 / 7 HIS A  51
ARG A  53
GLU A 101
PHE A 242
TYR A 258
TRP A 355
LYS A 358
 BEZ  A 501 ( 4.5A)
BEZ  A 501 ( 4.1A)
BEZ  A 501 ( 2.6A)
BEZ  A 501 ( 4.5A)
BEZ  A 501 ( 3.8A)
BEZ  A 501 ( 3.5A)
BEZ  A 501 ( 2.6A)
 0.01A 2q6uA-2q6uA:
71.1		 2q6uA-2q6uA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Q9R_A_BEZA203_0
(PROTEIN OF UNKNOWN
FUNCTION)		 2q9r PROTEIN OF UNKNOWN
FUNCTION
(Shewanella
baltica) 		5 / 5 LEU A  36
GLY A  90
PRO A  93
ILE A 194
ILE A 196
 BEZ  A 203 ( 4.1A)
BEZ  A 203 (-3.5A)
BEZ  A 203 ( 4.6A)
None
BEZ  A 203 ( 4.4A)
 0.00A 2q9rA-2q9rA:
37.9		 2q9rA-2q9rA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QD5_A_CHDA701_0
(FERROCHELATASE)		 3v7p AMIDOHYDROLASE
FAMILY PROTEIN
(Nitratiruptor
sp.
SB155-2) 		4 / 8 LEU A  82
SER A 121
VAL A 184
GLY A 144
 None
UNL  A 437 ( 4.8A)
None
BEZ  A 430 ( 3.7A)
 1.05A 2qd5A-3v7pA:
undetectable		 2qd5A-3v7pA:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QD5_B_CHDB1103_0
(FERROCHELATASE)		 3v7p AMIDOHYDROLASE
FAMILY PROTEIN
(Nitratiruptor
sp.
SB155-2) 		4 / 8 LEU A  82
SER A 121
VAL A 184
GLY A 144
 None
UNL  A 437 ( 4.8A)
None
BEZ  A 430 ( 3.7A)
 1.10A 2qd5B-3v7pA:
undetectable		 2qd5B-3v7pA:
22.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QL8_A_BEZA143_0
(PUTATIVE REDOX
PROTEIN)		 2ql8 PUTATIVE REDOX
PROTEIN
(Lactobacillus
paracasei) 		5 / 7 ALA A  61
THR A  62
ALA A  65
ARG A 119
PRO A 121
 BEZ  A 143 ( 4.0A)
BEZ  A 143 (-3.4A)
BEZ  A 143 (-3.6A)
BEZ  A 143 (-3.9A)
None
 0.00A 2ql8A-2ql8A:
24.6
2ql8B-2ql8A:
23.4		 2ql8A-2ql8A:
100.00
2ql8B-2ql8A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QL8_B_BEZB143_0
(PUTATIVE REDOX
PROTEIN)		 2ql8 PUTATIVE REDOX
PROTEIN
(Lactobacillus
paracasei) 		4 / 6 THR A  62
ALA A  65
ARG A 119
PRO A 121
 BEZ  A 143 (-3.4A)
BEZ  A 143 (-3.6A)
BEZ  A 143 (-3.9A)
None
 0.15A 2ql8A-2ql8A:
24.6
2ql8B-2ql8A:
23.4		 2ql8A-2ql8A:
100.00
2ql8B-2ql8A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V0M_A_KLNA1501_1
(CYTOCHROME P450 3A4)		 2q6u NIKD PROTEIN
(Streptomyces
tendae) 		5 / 10 ARG A  53
LEU A 362
THR A  65
ILE A 228
GLY A 354
 BEZ  A 501 ( 4.1A)
None
None
None
None
 1.30A 2v0mA-2q6uA:
undetectable		 2v0mA-2q6uA:
19.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V2G_A_BEZA1222_0
(PEROXIREDOXIN 6)		 2v41 PEROXIREDOXIN 6.
(Arenicola
marina) 		6 / 7 THR A  42
PRO A  43
VAL A  44
SER A  45
GLU A 117
ARG A 128
 BEZ  A1222 (-3.6A)
BEZ  A1222 (-3.2A)
BEZ  A1222 (-3.7A)
BEZ  A1222 (-3.0A)
BEZ  A1222 (-3.6A)
BEZ  A1222 (-3.3A)
 0.16A 2v2gA-2v41A:
34.8
2v2gB-2v41A:
34.7		 2v2gA-2v41A:
100.00
2v2gB-2v41A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V2G_B_BEZB1220_0
(PEROXIREDOXIN 6)		 2v41 PEROXIREDOXIN 6.
(Arenicola
marina) 		6 / 7 THR A  42
PRO A  43
VAL A  44
SER A  45
GLU A 117
ARG A 128
 BEZ  A1222 (-3.6A)
BEZ  A1222 (-3.2A)
BEZ  A1222 (-3.7A)
BEZ  A1222 (-3.0A)
BEZ  A1222 (-3.6A)
BEZ  A1222 (-3.3A)
 0.17A 2v2gA-2v41A:
34.8
2v2gB-2v41A:
34.7		 2v2gA-2v41A:
100.00
2v2gB-2v41A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V2G_C_BEZC1222_0
(PEROXIREDOXIN 6)		 2v41 PEROXIREDOXIN 6.
(Arenicola
marina) 		6 / 7 THR A  42
PRO A  43
VAL A  44
SER A  45
GLU A 117
ARG A 128
 BEZ  A1222 (-3.6A)
BEZ  A1222 (-3.2A)
BEZ  A1222 (-3.7A)
BEZ  A1222 (-3.0A)
BEZ  A1222 (-3.6A)
BEZ  A1222 (-3.3A)
 0.14A 2v2gC-2v41A:
34.7
2v2gD-2v41A:
34.7		 2v2gC-2v41A:
100.00
2v2gD-2v41A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V2G_D_BEZD1221_0
(PEROXIREDOXIN 6)		 2v41 PEROXIREDOXIN 6.
(Arenicola
marina) 		6 / 7 THR A  42
PRO A  43
VAL A  44
SER A  45
GLU A 117
ARG A 128
 BEZ  A1222 (-3.6A)
BEZ  A1222 (-3.2A)
BEZ  A1222 (-3.7A)
BEZ  A1222 (-3.0A)
BEZ  A1222 (-3.6A)
BEZ  A1222 (-3.3A)
 0.16A 2v2gC-2v41A:
34.7
2v2gD-2v41A:
34.7		 2v2gC-2v41A:
100.00
2v2gD-2v41A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V32_A_BEZA1222_0
(PEROXIREDOXIN 6)		 2v41 PEROXIREDOXIN 6.
(Arenicola
marina) 		7 / 8 THR A  42
PRO A  43
VAL A  44
SER A  45
GLU A 117
ARG A 128
ALA A 147
 BEZ  A1222 (-3.6A)
BEZ  A1222 (-3.2A)
BEZ  A1222 (-3.7A)
BEZ  A1222 (-3.0A)
BEZ  A1222 (-3.6A)
BEZ  A1222 (-3.3A)
BEZ  A1222 ( 3.7A)
 0.18A 2v32A-2v41A:
34.6
2v32B-2v41A:
34.5		 2v32A-2v41A:
100.00
2v32B-2v41A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V32_B_BEZB1220_0
(PEROXIREDOXIN 6)		 2v41 PEROXIREDOXIN 6.
(Arenicola
marina) 		7 / 8 THR A  42
PRO A  43
VAL A  44
SER A  45
GLU A 117
ARG A 128
ALA A 147
 BEZ  A1222 (-3.6A)
BEZ  A1222 (-3.2A)
BEZ  A1222 (-3.7A)
BEZ  A1222 (-3.0A)
BEZ  A1222 (-3.6A)
BEZ  A1222 (-3.3A)
BEZ  A1222 ( 3.7A)
 0.17A 2v32A-2v41A:
34.6
2v32B-2v41A:
34.5		 2v32A-2v41A:
100.00
2v32B-2v41A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V32_C_BEZC1222_0
(PEROXIREDOXIN 6)		 1h4o PEROXIREDOXIN 5
(Homo
sapiens) 		4 / 8 PRO A  40
THR A  44
PRO A  45
ARG A 127
 BEZ  A1162 (-4.5A)
BEZ  A1162 (-4.0A)
BEZ  A1162 (-3.7A)
BEZ  A1162 (-3.7A)
 0.51A 2v32C-1h4oA:
18.7
2v32D-1h4oA:
19.8		 2v32C-1h4oA:
25.86
2v32D-1h4oA:
25.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V32_C_BEZC1222_0
(PEROXIREDOXIN 6)		 2v41 PEROXIREDOXIN 6.
(Arenicola
marina) 		7 / 8 PRO A  38
THR A  42
PRO A  43
VAL A  44
SER A  45
GLU A 117
ARG A 128
 BEZ  A1222 ( 4.6A)
BEZ  A1222 (-3.6A)
BEZ  A1222 (-3.2A)
BEZ  A1222 (-3.7A)
BEZ  A1222 (-3.0A)
BEZ  A1222 (-3.6A)
BEZ  A1222 (-3.3A)
 0.17A 2v32C-2v41A:
34.6
2v32D-2v41A:
34.6		 2v32C-2v41A:
100.00
2v32D-2v41A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V32_D_BEZD1221_0
(PEROXIREDOXIN 6)		 2v41 PEROXIREDOXIN 6.
(Arenicola
marina) 		6 / 8 THR A  42
PRO A  43
VAL A  44
SER A  45
GLU A 117
ARG A 128
 BEZ  A1222 (-3.6A)
BEZ  A1222 (-3.2A)
BEZ  A1222 (-3.7A)
BEZ  A1222 (-3.0A)
BEZ  A1222 (-3.6A)
BEZ  A1222 (-3.3A)
 0.17A 2v32C-2v41A:
34.6
2v32D-2v41A:
34.6		 2v32C-2v41A:
100.00
2v32D-2v41A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V41_A_BEZA1222_0
(PEROXIREDOXIN 6.)		 2v41 PEROXIREDOXIN 6.
(Arenicola
marina) 		8 / 9 PRO A  38
THR A  42
PRO A  43
VAL A  44
SER A  45
GLU A 117
ARG A 128
ALA A 147
 BEZ  A1222 ( 4.6A)
BEZ  A1222 (-3.6A)
BEZ  A1222 (-3.2A)
BEZ  A1222 (-3.7A)
BEZ  A1222 (-3.0A)
BEZ  A1222 (-3.6A)
BEZ  A1222 (-3.3A)
BEZ  A1222 ( 3.7A)
 0.01A 2v41A-2v41A:
37.1
2v41B-2v41A:
34.6		 2v41A-2v41A:
100.00
2v41B-2v41A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V41_B_BEZB1222_0
(PEROXIREDOXIN 6.)		 2v41 PEROXIREDOXIN 6.
(Arenicola
marina) 		8 / 9 PRO A  38
THR A  42
PRO A  43
VAL A  44
SER A  45
GLU A 117
ARG A 128
ALA A 147
 BEZ  A1222 ( 4.6A)
BEZ  A1222 (-3.6A)
BEZ  A1222 (-3.2A)
BEZ  A1222 (-3.7A)
BEZ  A1222 (-3.0A)
BEZ  A1222 (-3.6A)
BEZ  A1222 (-3.3A)
BEZ  A1222 ( 3.7A)
 0.14A 2v41A-2v41A:
37.1
2v41B-2v41A:
34.6		 2v41A-2v41A:
100.00
2v41B-2v41A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V41_C_BEZC1218_0
(PEROXIREDOXIN 6.)		 1h4o PEROXIREDOXIN 5
(Homo
sapiens) 		4 / 8 PRO A  40
THR A  44
PRO A  45
ARG A 127
 BEZ  A1162 (-4.5A)
BEZ  A1162 (-4.0A)
BEZ  A1162 (-3.7A)
BEZ  A1162 (-3.7A)
 0.55A 2v41C-1h4oA:
19.6
2v41D-1h4oA:
19.8		 2v41C-1h4oA:
25.86
2v41D-1h4oA:
25.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V41_C_BEZC1218_0
(PEROXIREDOXIN 6.)		 2v41 PEROXIREDOXIN 6.
(Arenicola
marina) 		7 / 8 PRO A  38
THR A  42
PRO A  43
VAL A  44
SER A  45
GLU A 117
ARG A 128
 BEZ  A1222 ( 4.6A)
BEZ  A1222 (-3.6A)
BEZ  A1222 (-3.2A)
BEZ  A1222 (-3.7A)
BEZ  A1222 (-3.0A)
BEZ  A1222 (-3.6A)
BEZ  A1222 (-3.3A)
 0.24A 2v41C-2v41A:
33.7
2v41D-2v41A:
33.8		 2v41C-2v41A:
100.00
2v41D-2v41A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V41_D_BEZD1222_0
(PEROXIREDOXIN 6.)		 1h4o PEROXIREDOXIN 5
(Homo
sapiens) 		4 / 8 PRO A  40
THR A  44
PRO A  45
ARG A 127
 BEZ  A1162 (-4.5A)
BEZ  A1162 (-4.0A)
BEZ  A1162 (-3.7A)
BEZ  A1162 (-3.7A)
 0.54A 2v41C-1h4oA:
19.6
2v41D-1h4oA:
19.8		 2v41C-1h4oA:
25.86
2v41D-1h4oA:
25.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V41_D_BEZD1222_0
(PEROXIREDOXIN 6.)		 2v41 PEROXIREDOXIN 6.
(Arenicola
marina) 		7 / 8 PRO A  38
THR A  42
PRO A  43
VAL A  44
SER A  45
GLU A 117
ARG A 128
 BEZ  A1222 ( 4.6A)
BEZ  A1222 (-3.6A)
BEZ  A1222 (-3.2A)
BEZ  A1222 (-3.7A)
BEZ  A1222 (-3.0A)
BEZ  A1222 (-3.6A)
BEZ  A1222 (-3.3A)
 0.16A 2v41C-2v41A:
33.7
2v41D-2v41A:
33.8		 2v41C-2v41A:
100.00
2v41D-2v41A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V41_E_BEZE1222_0
(PEROXIREDOXIN 6.)		 2v41 PEROXIREDOXIN 6.
(Arenicola
marina) 		6 / 7 THR A  42
PRO A  43
VAL A  44
SER A  45
GLU A 117
ARG A 128
 BEZ  A1222 (-3.6A)
BEZ  A1222 (-3.2A)
BEZ  A1222 (-3.7A)
BEZ  A1222 (-3.0A)
BEZ  A1222 (-3.6A)
BEZ  A1222 (-3.3A)
 0.20A 2v41E-2v41A:
34.5
2v41F-2v41A:
34.7		 2v41E-2v41A:
100.00
2v41F-2v41A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V41_F_BEZF1222_0
(PEROXIREDOXIN 6.)		 2v41 PEROXIREDOXIN 6.
(Arenicola
marina) 		6 / 7 THR A  42
PRO A  43
VAL A  44
SER A  45
GLU A 117
ARG A 128
 BEZ  A1222 (-3.6A)
BEZ  A1222 (-3.2A)
BEZ  A1222 (-3.7A)
BEZ  A1222 (-3.0A)
BEZ  A1222 (-3.6A)
BEZ  A1222 (-3.3A)
 0.17A 2v41E-2v41A:
34.5
2v41F-2v41A:
34.7		 2v41E-2v41A:
100.00
2v41F-2v41A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V41_G_BEZG1222_0
(PEROXIREDOXIN 6.)		 2v41 PEROXIREDOXIN 6.
(Arenicola
marina) 		7 / 8 THR A  42
PRO A  43
VAL A  44
SER A  45
GLU A 117
ARG A 128
ALA A 147
 BEZ  A1222 (-3.6A)
BEZ  A1222 (-3.2A)
BEZ  A1222 (-3.7A)
BEZ  A1222 (-3.0A)
BEZ  A1222 (-3.6A)
BEZ  A1222 (-3.3A)
BEZ  A1222 ( 3.7A)
 0.24A 2v41G-2v41A:
34.3
2v41H-2v41A:
34.5		 2v41G-2v41A:
100.00
2v41H-2v41A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V41_H_BEZH1222_0
(PEROXIREDOXIN 6.)		 1h4o PEROXIREDOXIN 5
(Homo
sapiens) 		4 / 8 PRO A  40
THR A  44
PRO A  45
ARG A 127
 BEZ  A1162 (-4.5A)
BEZ  A1162 (-4.0A)
BEZ  A1162 (-3.7A)
BEZ  A1162 (-3.7A)
 0.52A 2v41G-1h4oA:
18.4
2v41H-1h4oA:
18.5		 2v41G-1h4oA:
25.86
2v41H-1h4oA:
25.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V41_H_BEZH1222_0
(PEROXIREDOXIN 6.)		 2v41 PEROXIREDOXIN 6.
(Arenicola
marina) 		7 / 8 PRO A  38
THR A  42
PRO A  43
VAL A  44
SER A  45
GLU A 117
ARG A 128
 BEZ  A1222 ( 4.6A)
BEZ  A1222 (-3.6A)
BEZ  A1222 (-3.2A)
BEZ  A1222 (-3.7A)
BEZ  A1222 (-3.0A)
BEZ  A1222 (-3.6A)
BEZ  A1222 (-3.3A)
 0.20A 2v41G-2v41A:
34.3
2v41H-2v41A:
34.5		 2v41G-2v41A:
100.00
2v41H-2v41A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V7B_A_BEZA1529_0
(BENZOATE-COENZYME A
LIGASE)		 2v7b BENZOATE-COENZYME A
LIGASE
(Paraburkholderia
xenovorans) 		9 / 9 PHE A 236
ALA A 237
TYR A 238
ALA A 308
GLY A 309
GLY A 333
HIS A 339
ILE A 340
LYS A 520
 BEZ  A1529 (-4.7A)
BEZ  A1529 ( 3.7A)
BEZ  A1529 (-4.3A)
BEZ  A1529 (-3.6A)
BEZ  A1529 (-3.5A)
BEZ  A1529 (-3.6A)
BEZ  A1529 (-3.8A)
BEZ  A1529 ( 4.9A)
BEZ  A1529 (-2.9A)
 0.00A 2v7bA-2v7bA:
74.1		 2v7bA-2v7bA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V7B_B_BEZB1529_0
(BENZOATE-COENZYME A
LIGASE)		 2v7b BENZOATE-COENZYME A
LIGASE
(Paraburkholderia
xenovorans) 		9 / 9 PHE A 236
ALA A 237
TYR A 238
ALA A 308
GLY A 309
GLY A 333
HIS A 339
ILE A 340
LYS A 520
 BEZ  A1529 (-4.7A)
BEZ  A1529 ( 3.7A)
BEZ  A1529 (-4.3A)
BEZ  A1529 (-3.6A)
BEZ  A1529 (-3.5A)
BEZ  A1529 (-3.6A)
BEZ  A1529 (-3.8A)
BEZ  A1529 ( 4.9A)
BEZ  A1529 (-2.9A)
 0.09A 2v7bB-2v7bA:
72.2		 2v7bB-2v7bA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VL2_A_BEZA1162_0
(PEROXIREDOXIN-5)		 1h4o PEROXIREDOXIN 5
(Homo
sapiens) 		9 / 10 PRO A  40
THR A  44
PRO A  45
GLY A  46
CYH A  47
LEU A 116
PHE A 120
ARG A 127
THR A 147
 BEZ  A1162 (-4.5A)
BEZ  A1162 (-4.0A)
BEZ  A1162 (-3.7A)
BEZ  A1162 (-3.1A)
BEZ  A1162 (-3.3A)
None
None
BEZ  A1162 (-3.7A)
BEZ  A1162 ( 4.0A)
 0.23A 2vl2A-1h4oA:
35.0
2vl2C-1h4oA:
28.6		 2vl2A-1h4oA:
100.00
2vl2C-1h4oA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VL2_B_BEZB1162_0
(PEROXIREDOXIN-5)		 1h4o PEROXIREDOXIN 5
(Homo
sapiens) 		7 / 7 PRO A  40
THR A  44
PRO A  45
GLY A  46
LEU A 116
PHE A 120
THR A 147
 BEZ  A1162 (-4.5A)
BEZ  A1162 (-4.0A)
BEZ  A1162 (-3.7A)
BEZ  A1162 (-3.1A)
None
None
BEZ  A1162 ( 4.0A)
 0.29A 2vl2B-1h4oA:
34.3		 2vl2B-1h4oA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VMY_B_FFOB505_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 2v7b BENZOATE-COENZYME A
LIGASE
(Paraburkholderia
xenovorans) 		5 / 12 GLY A 309
LEU A 284
SER A 307
ALA A 308
ASN A 242
 BEZ  A1529 (-3.5A)
None
None
BEZ  A1529 (-3.6A)
None
 1.04A 2vmyA-2v7bA:
3.4		 2vmyA-2v7bA:
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.
2ZZM_A_SAMA401_1
(UNCHARACTERIZED
PROTEIN MJ0883)		 4xdq GLYCOSIDE HYDROLASE
FAMILY PROTEIN
(Mycolicibacteriu
m
thermoresistibil
e) 		3 / 3 ARG A 117
ASP A  30
ASN A  80
 BEZ  A 306 (-3.5A)
None
None
 0.75A 2zzmA-4xdqA:
undetectable		 2zzmA-4xdqA:
19.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CCF_A_BEZA261_0
(CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE)		 3ccf CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE
(Trichormus
variabilis) 		8 / 8 HIS A 109
GLY A 136
ASN A 140
TRP A 166
TRP A 207
PHE A 211
TYR A 249
ARG A 251
 BEZ  A 261 (-3.7A)
BEZ  A 261 ( 3.7A)
BEZ  A 261 (-3.1A)
BEZ  A 261 (-3.7A)
BEZ  A 261 ( 4.6A)
BEZ  A 261 (-3.6A)
BEZ  A 261 (-4.2A)
BEZ  A 261 (-3.9A)
 0.00A 3ccfA-3ccfA:
41.2		 3ccfA-3ccfA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CCF_A_BEZA261_0
(CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE)		 3ccf CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE
(Trichormus
variabilis) 		6 / 8 HIS A 109
GLY A 136
TRP A 110
PHE A 211
TYR A 249
ARG A 251
 BEZ  A 261 (-3.7A)
BEZ  A 261 ( 3.7A)
None
BEZ  A 261 (-3.6A)
BEZ  A 261 (-4.2A)
BEZ  A 261 (-3.9A)
 1.47A 3ccfA-3ccfA:
41.2		 3ccfA-3ccfA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CCF_B_BEZB261_0
(CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE)		 3ccf CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE
(Trichormus
variabilis) 		8 / 8 HIS A 109
ASN A 140
ILE A 141
TRP A 166
TRP A 207
PHE A 211
TYR A 249
ARG A 251
 BEZ  A 261 (-3.7A)
BEZ  A 261 (-3.1A)
None
BEZ  A 261 (-3.7A)
BEZ  A 261 ( 4.6A)
BEZ  A 261 (-3.6A)
BEZ  A 261 (-4.2A)
BEZ  A 261 (-3.9A)
 0.67A 3ccfB-3ccfA:
35.6		 3ccfB-3ccfA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CCF_B_BEZB261_0
(CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE)		 3ccf CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE
(Trichormus
variabilis) 		4 / 8 ILE A 144
TRP A 166
TRP A 207
PHE A 211
 None
BEZ  A 261 (-3.7A)
BEZ  A 261 ( 4.6A)
BEZ  A 261 (-3.6A)
 1.21A 3ccfB-3ccfA:
35.6		 3ccfB-3ccfA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ELZ_C_CHDC150_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 2v7b BENZOATE-COENZYME A
LIGASE
(Paraburkholderia
xenovorans) 		5 / 12 ASN A 242
VAL A 277
LEU A 338
ILE A 340
THR A 211
 None
None
None
BEZ  A1529 ( 4.9A)
None
 1.27A 3elzC-2v7bA:
undetectable		 3elzC-2v7bA:
15.25
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.
3FZG_A_SAMA300_0
(16S RRNA METHYLASE)		 2v7b BENZOATE-COENZYME A
LIGASE
(Paraburkholderia
xenovorans) 		5 / 12 HIS A 339
THR A 211
GLY A 243
GLY A 241
VAL A 277
 BEZ  A1529 (-3.8A)
None
None
None
None
 0.93A 3fzgA-2v7bA:
undetectable		 3fzgA-2v7bA:
17.62
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.
3G88_A_SAMA303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		 3ccf CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE
(Trichormus
variabilis) 		5 / 11 GLY A  46
GLY A  48
ASP A  67
ALA A  90
ALA A 106
 None
None
None
None
BEZ  A 261 ( 4.7A)
 0.63A 3g88A-3ccfA:
14.3		 3g88A-3ccfA:
24.84
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.
3G88_B_SAMB303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		 3ccf CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE
(Trichormus
variabilis) 		5 / 11 GLY A  46
GLY A  48
ASP A  67
ALA A  90
ALA A 106
 None
None
None
None
BEZ  A 261 ( 4.7A)
 0.61A 3g88B-3ccfA:
14.3		 3g88B-3ccfA:
24.84
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.
3G89_A_SAMA303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		 3ccf CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE
(Trichormus
variabilis) 		5 / 12 GLY A  46
GLY A  48
ASP A  67
ALA A  90
ALA A 106
 None
None
None
None
BEZ  A 261 ( 4.7A)
 0.59A 3g89A-3ccfA:
14.2		 3g89A-3ccfA:
24.84
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.
3G89_B_SAMB303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		 3ccf CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE
(Trichormus
variabilis) 		5 / 11 GLY A  46
GLY A  48
ASP A  67
ALA A  90
ALA A 106
 None
None
None
None
BEZ  A 261 ( 4.7A)
 0.57A 3g89B-3ccfA:
14.2		 3g89B-3ccfA:
24.84
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.
3G8B_A_SAMA303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		 3ccf CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE
(Trichormus
variabilis) 		5 / 12 GLY A  46
GLY A  48
ASP A  67
ALA A  90
ALA A 106
 None
None
None
None
BEZ  A 261 ( 4.7A)
 0.62A 3g8bA-3ccfA:
14.2		 3g8bA-3ccfA:
24.84
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.
3G8B_B_SAMB303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		 3ccf CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE
(Trichormus
variabilis) 		5 / 12 GLY A  46
GLY A  48
ASP A  67
ALA A  90
ALA A 106
 None
None
None
None
BEZ  A 261 ( 4.7A)
 0.58A 3g8bB-3ccfA:
12.9		 3g8bB-3ccfA:
24.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HGI_A_BEZA284_0
(CATECHOL
1,2-DIOXYGENASE)		 1s9a CHLOROCATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		10 / 12 LEU A  49
ASP A  52
ILE A  74
GLY A  76
PRO A  77
TYR A 134
TYR A 169
ARG A 191
HIS A 194
HIS A 196
 BEZ  A 306 (-4.5A)
TAM  A 305 ( 2.7A)
None
BEZ  A 306 ( 3.5A)
TAM  A 305 ( 4.4A)
FE  A 300 ( 4.3A)
FE  A 300 ( 4.5A)
BEZ  A 306 (-3.8A)
FE  A 300 ( 3.2A)
FE  A 300 ( 3.4A)
 0.36A 3hgiA-1s9aA:
30.7		 3hgiA-1s9aA:
38.81
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.
3HGI_A_BEZA284_0
(CATECHOL
1,2-DIOXYGENASE)		 1tmx HYDROXYQUINOL
1,2-DIOXYGENASE
(Pimelobacter
simplex) 		7 / 12 GLY A 109
PRO A 110
TYR A 164
TYR A 197
ARG A 218
HIS A 221
HIS A 223
 BEZ  A 881 (-3.5A)
BEZ  A 881 (-4.3A)
FE  A 861 (-4.2A)
FE  A 861 ( 4.4A)
BEZ  A 881 (-3.8A)
FE  A 861 ( 3.3A)
FE  A 861 ( 3.4A)
 0.39A 3hgiA-1tmxA:
27.7		 3hgiA-1tmxA:
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.
3HGI_A_BEZA284_0
(CATECHOL
1,2-DIOXYGENASE)		 1tmx HYDROXYQUINOL
1,2-DIOXYGENASE
(Pimelobacter
simplex) 		6 / 12 LEU A  80
GLY A 109
TYR A 197
ARG A 218
HIS A 221
HIS A 223
 None
BEZ  A 881 (-3.5A)
FE  A 861 ( 4.4A)
BEZ  A 881 (-3.8A)
FE  A 861 ( 3.3A)
FE  A 861 ( 3.4A)
 0.87A 3hgiA-1tmxA:
27.7		 3hgiA-1tmxA:
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.
3HGI_A_BEZA284_0
(CATECHOL
1,2-DIOXYGENASE)		 1tmx HYDROXYQUINOL
1,2-DIOXYGENASE
(Pimelobacter
simplex) 		5 / 12 LEU A  80
VAL A 251
GLY A 109
TYR A 197
HIS A 223
 None
BEZ  A 881 ( 4.8A)
BEZ  A 881 (-3.5A)
FE  A 861 ( 4.4A)
FE  A 861 ( 3.4A)
 1.40A 3hgiA-1tmxA:
27.7		 3hgiA-1tmxA:
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.
3HGI_A_BEZA284_0
(CATECHOL
1,2-DIOXYGENASE)		 1tmx HYDROXYQUINOL
1,2-DIOXYGENASE
(Pimelobacter
simplex) 		5 / 12 VAL A 251
GLY A 109
TYR A 164
TYR A 197
HIS A 223
 BEZ  A 881 ( 4.8A)
BEZ  A 881 (-3.5A)
FE  A 861 (-4.2A)
FE  A 861 ( 4.4A)
FE  A 861 ( 3.4A)
 1.23A 3hgiA-1tmxA:
27.7		 3hgiA-1tmxA:
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.
3Q1E_D_T44D328_1
(5-HYDROXYISOURATE
HYDROLASE)		 5u4s PUTATIVE SHORT CHAIN
DEHYDROGENASE
(Burkholderia
cenocepacia) 		5 / 9 HIS A 231
LEU A 223
LEU A 138
LEU A 133
SER A 131
 None
PO4  A 302 ( 4.3A)
None
BEZ  A 301 (-4.2A)
BEZ  A 301 (-2.6A)
 1.46A 3q1eB-5u4sA:
undetectable
3q1eD-5u4sA:
undetectable		 3q1eB-5u4sA:
17.86
3q1eD-5u4sA:
17.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3R75_A_BEZA701_0
(ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I)		 1i7q ANTHRANILATE
SYNTHASE
(Serratia
marcescens) 		9 / 12 GLU A 309
ILE A 326
GLY A 328
THR A 329
GLU A 361
HIS A 398
ARG A 469
GLU A 498
LYS A 502
 BEZ  A1501 (-3.8A)
BEZ  A1501 (-3.9A)
BEZ  A1501 (-3.3A)
BEZ  A1501 (-3.9A)
MG  A1701 ( 3.1A)
BEZ  A1501 ( 4.2A)
PYR  A1601 ( 3.9A)
MG  A1701 ( 2.6A)
BEZ  A1501 ( 2.9A)
 0.41A 3r75A-1i7qA:
37.8		 3r75A-1i7qA:
24.22
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.
3R75_A_BEZA701_0
(ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I)		 1i7q ANTHRANILATE
SYNTHASE
(Serratia
marcescens) 		7 / 12 GLY A 328
THR A 329
GLU A 358
HIS A 398
ARG A 469
GLU A 498
LYS A 502
 BEZ  A1501 (-3.3A)
BEZ  A1501 (-3.9A)
MG  A1701 ( 4.3A)
BEZ  A1501 ( 4.2A)
PYR  A1601 ( 3.9A)
MG  A1701 ( 2.6A)
BEZ  A1501 ( 2.9A)
 1.44A 3r75A-1i7qA:
37.8		 3r75A-1i7qA:
24.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R75_A_BEZA701_0
(ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I)		 3r75 ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I
(Burkholderia
lata) 		12 / 12 GLU A 201
ILE A 216
SER A 217
GLY A 218
THR A 219
GLU A 244
HIS A 279
ARG A 352
SER A 368
THR A 369
GLU A 382
LYS A 386
 BEZ  A 701 ( 4.3A)
BEZ  A 701 (-4.2A)
BEZ  A 701 (-3.2A)
BEZ  A 701 (-3.5A)
BEZ  A 701 (-4.0A)
MG  A 700 ( 2.5A)
BEZ  A 701 (-3.8A)
PYR  A 702 ( 3.9A)
None
BEZ  A 701 (-4.1A)
MG  A 700 ( 2.5A)
PYR  A 702 ( 3.1A)
 0.00A 3r75A-3r75A:
74.2		 3r75A-3r75A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R75_A_BEZA701_0
(ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I)		 3r75 ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I
(Burkholderia
lata) 		5 / 12 GLU A 201
THR A 369
GLU A 382
THR A 219
GLU A 244
 BEZ  A 701 ( 4.3A)
BEZ  A 701 (-4.1A)
MG  A 700 ( 2.5A)
BEZ  A 701 (-4.0A)
MG  A 700 ( 2.5A)
 1.12A 3r75A-3r75A:
74.2		 3r75A-3r75A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3R75_B_BEZB701_0
(ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I)		 1i7q ANTHRANILATE
SYNTHASE
(Serratia
marcescens) 		9 / 12 GLU A 309
ILE A 326
GLY A 328
THR A 329
GLU A 361
HIS A 398
ARG A 469
GLU A 498
LYS A 502
 BEZ  A1501 (-3.8A)
BEZ  A1501 (-3.9A)
BEZ  A1501 (-3.3A)
BEZ  A1501 (-3.9A)
MG  A1701 ( 3.1A)
BEZ  A1501 ( 4.2A)
PYR  A1601 ( 3.9A)
MG  A1701 ( 2.6A)
BEZ  A1501 ( 2.9A)
 0.41A 3r75B-1i7qA:
37.1		 3r75B-1i7qA:
24.22
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.
3R75_B_BEZB701_0
(ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I)		 1i7q ANTHRANILATE
SYNTHASE
(Serratia
marcescens) 		7 / 12 GLY A 328
THR A 329
GLU A 358
HIS A 398
ARG A 469
GLU A 498
LYS A 502
 BEZ  A1501 (-3.3A)
BEZ  A1501 (-3.9A)
MG  A1701 ( 4.3A)
BEZ  A1501 ( 4.2A)
PYR  A1601 ( 3.9A)
MG  A1701 ( 2.6A)
BEZ  A1501 ( 2.9A)
 1.45A 3r75B-1i7qA:
37.1		 3r75B-1i7qA:
24.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R75_B_BEZB701_0
(ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I)		 3r75 ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I
(Burkholderia
lata) 		12 / 12 GLU A 201
ILE A 216
SER A 217
GLY A 218
THR A 219
GLU A 244
HIS A 279
ARG A 352
SER A 368
THR A 369
GLU A 382
LYS A 386
 BEZ  A 701 ( 4.3A)
BEZ  A 701 (-4.2A)
BEZ  A 701 (-3.2A)
BEZ  A 701 (-3.5A)
BEZ  A 701 (-4.0A)
MG  A 700 ( 2.5A)
BEZ  A 701 (-3.8A)
PYR  A 702 ( 3.9A)
None
BEZ  A 701 (-4.1A)
MG  A 700 ( 2.5A)
PYR  A 702 ( 3.1A)
 0.05A 3r75B-3r75A:
71.0		 3r75B-3r75A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R75_B_BEZB701_0
(ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I)		 3r75 ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I
(Burkholderia
lata) 		5 / 12 GLU A 201
THR A 369
GLU A 382
THR A 219
GLU A 244
 BEZ  A 701 ( 4.3A)
BEZ  A 701 (-4.1A)
MG  A 700 ( 2.5A)
BEZ  A 701 (-4.0A)
MG  A 700 ( 2.5A)
 1.10A 3r75B-3r75A:
71.0		 3r75B-3r75A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3R76_A_BEZA701_0
(ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I)		 1i7q ANTHRANILATE
SYNTHASE
(Serratia
marcescens) 		9 / 11 GLU A 309
ILE A 326
GLY A 328
THR A 329
GLU A 361
HIS A 398
ARG A 469
GLU A 498
LYS A 502
 BEZ  A1501 (-3.8A)
BEZ  A1501 (-3.9A)
BEZ  A1501 (-3.3A)
BEZ  A1501 (-3.9A)
MG  A1701 ( 3.1A)
BEZ  A1501 ( 4.2A)
PYR  A1601 ( 3.9A)
MG  A1701 ( 2.6A)
BEZ  A1501 ( 2.9A)
 0.43A 3r76A-1i7qA:
38.0		 3r76A-1i7qA:
24.22
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.
3R76_A_BEZA701_0
(ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I)		 1i7q ANTHRANILATE
SYNTHASE
(Serratia
marcescens) 		7 / 11 GLY A 328
THR A 329
GLU A 358
HIS A 398
ARG A 469
GLU A 498
LYS A 502
 BEZ  A1501 (-3.3A)
BEZ  A1501 (-3.9A)
MG  A1701 ( 4.3A)
BEZ  A1501 ( 4.2A)
PYR  A1601 ( 3.9A)
MG  A1701 ( 2.6A)
BEZ  A1501 ( 2.9A)
 1.46A 3r76A-1i7qA:
38.0		 3r76A-1i7qA:
24.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R76_A_BEZA701_0
(ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I)		 3r75 ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I
(Burkholderia
lata) 		11 / 11 GLU A 201
ILE A 216
SER A 217
GLY A 218
THR A 219
GLU A 244
HIS A 279
ARG A 352
THR A 369
GLU A 382
LYS A 386
 BEZ  A 701 ( 4.3A)
BEZ  A 701 (-4.2A)
BEZ  A 701 (-3.2A)
BEZ  A 701 (-3.5A)
BEZ  A 701 (-4.0A)
MG  A 700 ( 2.5A)
BEZ  A 701 (-3.8A)
PYR  A 702 ( 3.9A)
BEZ  A 701 (-4.1A)
MG  A 700 ( 2.5A)
PYR  A 702 ( 3.1A)
 0.13A 3r76A-3r75A:
71.0		 3r76A-3r75A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R76_A_BEZA701_0
(ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I)		 3r75 ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I
(Burkholderia
lata) 		5 / 11 GLU A 201
THR A 369
GLU A 382
THR A 219
GLU A 244
 BEZ  A 701 ( 4.3A)
BEZ  A 701 (-4.1A)
MG  A 700 ( 2.5A)
BEZ  A 701 (-4.0A)
MG  A 700 ( 2.5A)
 1.17A 3r76A-3r75A:
71.0		 3r76A-3r75A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3R76_B_BEZB701_0
(ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I)		 1i7q ANTHRANILATE
SYNTHASE
(Serratia
marcescens) 		9 / 11 GLU A 309
ILE A 326
GLY A 328
THR A 329
GLU A 361
HIS A 398
ARG A 469
GLU A 498
LYS A 502
 BEZ  A1501 (-3.8A)
BEZ  A1501 (-3.9A)
BEZ  A1501 (-3.3A)
BEZ  A1501 (-3.9A)
MG  A1701 ( 3.1A)
BEZ  A1501 ( 4.2A)
PYR  A1601 ( 3.9A)
MG  A1701 ( 2.6A)
BEZ  A1501 ( 2.9A)
 0.44A 3r76B-1i7qA:
37.2		 3r76B-1i7qA:
24.22
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.
3R76_B_BEZB701_0
(ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I)		 1i7q ANTHRANILATE
SYNTHASE
(Serratia
marcescens) 		6 / 11 GLY A 328
THR A 329
GLU A 358
HIS A 398
GLU A 498
LYS A 502
 BEZ  A1501 (-3.3A)
BEZ  A1501 (-3.9A)
MG  A1701 ( 4.3A)
BEZ  A1501 ( 4.2A)
MG  A1701 ( 2.6A)
BEZ  A1501 ( 2.9A)
 1.46A 3r76B-1i7qA:
37.2		 3r76B-1i7qA:
24.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R76_B_BEZB701_0
(ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I)		 3r75 ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I
(Burkholderia
lata) 		11 / 11 GLU A 201
ILE A 216
SER A 217
GLY A 218
THR A 219
GLU A 244
HIS A 279
ARG A 352
THR A 369
GLU A 382
LYS A 386
 BEZ  A 701 ( 4.3A)
BEZ  A 701 (-4.2A)
BEZ  A 701 (-3.2A)
BEZ  A 701 (-3.5A)
BEZ  A 701 (-4.0A)
MG  A 700 ( 2.5A)
BEZ  A 701 (-3.8A)
PYR  A 702 ( 3.9A)
BEZ  A 701 (-4.1A)
MG  A 700 ( 2.5A)
PYR  A 702 ( 3.1A)
 0.17A 3r76B-3r75A:
70.3		 3r76B-3r75A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R76_B_BEZB701_0
(ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I)		 3r75 ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I
(Burkholderia
lata) 		5 / 11 GLU A 201
THR A 369
GLU A 382
THR A 219
GLU A 244
 BEZ  A 701 ( 4.3A)
BEZ  A 701 (-4.1A)
MG  A 700 ( 2.5A)
BEZ  A 701 (-4.0A)
MG  A 700 ( 2.5A)
 1.19A 3r76B-3r75A:
70.3		 3r76B-3r75A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R9S_C_BEZC264_0
(CARNITINYL-COA
DEHYDRATASE)		 3r9s CARNITINYL-COA
DEHYDRATASE
(Mycobacterium
avium) 		6 / 6 ALA A  67
ILE A  72
LEU A  78
GLU A 114
GLU A 134
ALA A 143
 BEZ  A 264 ( 3.7A)
None
None
BEZ  A 264 (-2.6A)
BEZ  A 264 (-3.3A)
BEZ  A 264 (-3.5A)
 0.23A 3r9sC-3r9sA:
45.8		 3r9sC-3r9sA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R9S_C_BEZC264_0
(CARNITINYL-COA
DEHYDRATASE)		 3r9s CARNITINYL-COA
DEHYDRATASE
(Mycobacterium
avium) 		5 / 6 ALA A  67
ILE A  72
LEU A  78
GLU A 134
ALA A 142
 BEZ  A 264 ( 3.7A)
None
None
BEZ  A 264 (-3.3A)
BEZ  A 264 (-4.2A)
 1.39A 3r9sC-3r9sA:
45.8		 3r9sC-3r9sA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R9T_A_BEZA264_0
(ECHA1_1)		 3r9s CARNITINYL-COA
DEHYDRATASE
(Mycobacterium
avium) 		7 / 8 ALA A  67
ILE A  72
LEU A  78
GLU A 114
ALA A 142
ALA A 143
MET A 236
 BEZ  A 264 ( 3.7A)
None
None
BEZ  A 264 (-2.6A)
BEZ  A 264 (-4.2A)
BEZ  A 264 (-3.5A)
None
 0.57A 3r9tA-3r9sA:
45.4		 3r9tA-3r9sA:
99.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R9T_A_BEZA264_0
(ECHA1_1)		 3r9s CARNITINYL-COA
DEHYDRATASE
(Mycobacterium
avium) 		7 / 8 ALA A  67
ILE A  72
LEU A  78
GLU A 114
GLU A 134
ALA A 142
ALA A 143
 BEZ  A 264 ( 3.7A)
None
None
BEZ  A 264 (-2.6A)
BEZ  A 264 (-3.3A)
BEZ  A 264 (-4.2A)
BEZ  A 264 (-3.5A)
 0.32A 3r9tA-3r9sA:
45.4		 3r9tA-3r9sA:
99.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R9T_B_BEZB264_0
(ECHA1_1)		 3r9s CARNITINYL-COA
DEHYDRATASE
(Mycobacterium
avium) 		6 / 7 ILE A  72
LEU A  78
GLU A 114
ALA A 142
ALA A 143
MET A 236
 None
None
BEZ  A 264 (-2.6A)
BEZ  A 264 (-4.2A)
BEZ  A 264 (-3.5A)
None
 0.62A 3r9tB-3r9sA:
45.9		 3r9tB-3r9sA:
99.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R9T_B_BEZB264_0
(ECHA1_1)		 3r9s CARNITINYL-COA
DEHYDRATASE
(Mycobacterium
avium) 		6 / 7 ILE A  72
LEU A  78
GLU A 114
GLU A 134
ALA A 142
ALA A 143
 None
None
BEZ  A 264 (-2.6A)
BEZ  A 264 (-3.3A)
BEZ  A 264 (-4.2A)
BEZ  A 264 (-3.5A)
 0.42A 3r9tB-3r9sA:
45.9		 3r9tB-3r9sA:
99.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R9T_C_BEZC264_0
(ECHA1_1)		 3r9s CARNITINYL-COA
DEHYDRATASE
(Mycobacterium
avium) 		5 / 5 ALA A  67
GLU A 114
GLU A 134
ALA A 143
MET A 236
 BEZ  A 264 ( 3.7A)
BEZ  A 264 (-2.6A)
BEZ  A 264 (-3.3A)
BEZ  A 264 (-3.5A)
None
 0.58A 3r9tC-3r9sA:
45.3		 3r9tC-3r9sA:
99.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RHG_A_BEZA369_0
(PUTATIVE
PHOPHOTRIESTERASE)		 3rhg PUTATIVE
PHOPHOTRIESTERASE
(Proteus
mirabilis) 		8 / 10 HIS A 199
HIS A 229
MET A 254
LEU A 257
PHE A 261
GLU A 264
ASP A 294
PHE A 296
 ZN  A 368 (-3.1A)
ZN  A 368 (-3.2A)
BEZ  A 369 ( 3.9A)
None
BEZ  A 369 (-4.3A)
BEZ  A 369 ( 4.4A)
CAC  A 370 (-2.4A)
CAC  A 370 (-3.5A)
 0.58A 3rhgA-3rhgA:
70.6		 3rhgA-3rhgA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RHG_A_BEZA369_0
(PUTATIVE
PHOPHOTRIESTERASE)		 3rhg PUTATIVE
PHOPHOTRIESTERASE
(Proteus
mirabilis) 		9 / 10 TYR A  63
HIS A 199
TRP A 203
HIS A 229
MET A 254
LEU A 257
PHE A 261
ASP A 294
PHE A 296
 UNL  A 373 ( 3.6A)
ZN  A 368 (-3.1A)
None
ZN  A 368 (-3.2A)
BEZ  A 369 ( 3.9A)
None
BEZ  A 369 (-4.3A)
CAC  A 370 (-2.4A)
CAC  A 370 (-3.5A)
 0.01A 3rhgA-3rhgA:
70.6		 3rhgA-3rhgA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RUK_A_AERA601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 3ccf CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE
(Trichormus
variabilis) 		5 / 12 ALA A 214
PHE A 215
TYR A 249
ILE A 141
LEU A 145
 None
None
BEZ  A 261 (-4.2A)
None
None
 0.99A 3rukA-3ccfA:
undetectable		 3rukA-3ccfA:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SI7_D_ACTD4_0
(CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR)		 3r9s CARNITINYL-COA
DEHYDRATASE
(Mycobacterium
avium) 		4 / 5 LEU A 117
LEU A 132
GLY A 131
GLY A 110
 None
None
None
BEZ  A 264 ( 4.7A)
 0.70A 3si7C-3r9sA:
undetectable
3si7D-3r9sA:
undetectable		 3si7C-3r9sA:
21.40
3si7D-3r9sA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SUD_C_SUEC1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 5im2 TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
(Rhodoferax
ferrireducens) 		5 / 12 GLN A 277
GLY A 147
ILE A 195
ALA A 208
ALA A 207
 BEZ  A 401 (-3.9A)
None
None
None
None
 0.84A 3sudC-5im2A:
undetectable		 3sudC-5im2A:
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.
3SUE_A_SUEA1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 5im2 TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
(Rhodoferax
ferrireducens) 		5 / 12 GLN A 277
GLY A 147
ILE A 195
ALA A 208
ALA A 207
 BEZ  A 401 (-3.9A)
None
None
None
None
 0.83A 3sueA-5im2A:
undetectable		 3sueA-5im2A:
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.
3SUF_B_SUEB1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 5im2 TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
(Rhodoferax
ferrireducens) 		5 / 12 GLN A 277
GLY A 147
ILE A 195
ALA A 208
ALA A 207
 BEZ  A 401 (-3.9A)
None
None
None
None
 0.94A 3sufB-5im2A:
undetectable		 3sufB-5im2A:
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.
3TTR_A_LQZA90_1
(LACTOTRANSFERRIN)		 2v41 PEROXIREDOXIN 6.
(Arenicola
marina) 		3 / 3 PRO A  38
THR A 126
LEU A  69
 BEZ  A1222 ( 4.6A)
None
None
 0.70A 3ttrA-2v41A:
undetectable		 3ttrA-2v41A:
21.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3TX2_A_BEZA251_0
(PROBABLE
6-PHOSPHOGLUCONOLACT
ONASE)		 3tx2 PROBABLE
6-PHOSPHOGLUCONOLACT
ONASE
(Mycobacteroides
abscessus) 		4 / 7 ALA A  88
TRP A  86
TRP A  89
MET A 103
 None
None
BEZ  A 251 ( 4.2A)
BEZ  A 251 ( 4.0A)
 1.39A 3tx2A-3tx2A:
49.0		 3tx2A-3tx2A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3TX2_A_BEZA251_0
(PROBABLE
6-PHOSPHOGLUCONOLACT
ONASE)		 3tx2 PROBABLE
6-PHOSPHOGLUCONOLACT
ONASE
(Mycobacteroides
abscessus) 		6 / 7 ARG A  83
ALA A  85
TRP A  86
TRP A  89
MET A 103
ALA A 105
 BEZ  A 251 (-4.0A)
BEZ  A 251 ( 3.7A)
None
BEZ  A 251 ( 4.2A)
BEZ  A 251 ( 4.0A)
BEZ  A 251 (-3.5A)
 0.00A 3tx2A-3tx2A:
49.0		 3tx2A-3tx2A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3TX2_A_BEZA251_0
(PROBABLE
6-PHOSPHOGLUCONOLACT
ONASE)		 3tx2 PROBABLE
6-PHOSPHOGLUCONOLACT
ONASE
(Mycobacteroides
abscessus) 		5 / 7 LYS A  78
ARG A  83
ALA A  85
TRP A  86
TRP A  89
 BEZ  A 251 (-3.7A)
BEZ  A 251 (-4.0A)
BEZ  A 251 ( 3.7A)
None
BEZ  A 251 ( 4.2A)
 0.74A 3tx2A-3tx2A:
49.0		 3tx2A-3tx2A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3V4T_A_ACTA504_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 3r75 ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I
(Burkholderia
lata) 		3 / 3 THR A 369
VAL A 371
GLU A 382
 BEZ  A 701 (-4.1A)
None
MG  A 700 ( 2.5A)
 0.72A 3v4tA-3r75A:
undetectable
3v4tD-3r75A:
undetectable		 3v4tA-3r75A:
24.39
3v4tD-3r75A:
24.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3V7P_A_BEZA430_0
(AMIDOHYDROLASE
FAMILY PROTEIN)		 3v7p AMIDOHYDROLASE
FAMILY PROTEIN
(Nitratiruptor
sp.
SB155-2) 		6 / 7 ILE A 143
GLY A 144
SER A 145
SER A 183
PHE A 224
PHE A 228
 BEZ  A 430 (-4.5A)
BEZ  A 430 ( 3.7A)
BEZ  A 430 (-2.7A)
BEZ  A 430 (-4.8A)
None
BEZ  A 430 ( 4.6A)
 1.40A 3v7pA-3v7pA:
75.4		 3v7pA-3v7pA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3V7P_A_BEZA430_0
(AMIDOHYDROLASE
FAMILY PROTEIN)		 3v7p AMIDOHYDROLASE
FAMILY PROTEIN
(Nitratiruptor
sp.
SB155-2) 		7 / 7 ILE A 143
GLY A 144
SER A 145
SER A 183
PHE A 227
PHE A 228
LEU A 232
 BEZ  A 430 (-4.5A)
BEZ  A 430 ( 3.7A)
BEZ  A 430 (-2.7A)
BEZ  A 430 (-4.8A)
BEZ  A 430 ( 4.8A)
BEZ  A 430 ( 4.6A)
BEZ  A 430 (-4.5A)
 0.02A 3v7pA-3v7pA:
75.4		 3v7pA-3v7pA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VNS_A_DVAA602_0
(NRPS ADENYLATION
PROTEIN CYTC1)		 2v7b BENZOATE-COENZYME A
LIGASE
(Paraburkholderia
xenovorans) 		4 / 7 PHE A 236
GLY A 309
THR A 335
LYS A 520
 BEZ  A1529 (-4.7A)
BEZ  A1529 (-3.5A)
None
BEZ  A1529 (-2.9A)
 0.70A 3vnsA-2v7bA:
43.9		 3vnsA-2v7bA:
28.55
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.
4CEV_A_GAIA407_0
(PROTEIN (ARGINASE))		 3rhg PUTATIVE
PHOPHOTRIESTERASE
(Proteus
mirabilis) 		4 / 6 HIS A  25
GLU A  24
MET A 254
ASP A 253
 ZN  A 367 ( 3.2A)
None
BEZ  A 369 ( 3.9A)
None
 1.30A 4cevA-3rhgA:
undetectable
4cevB-3rhgA:
1.4		 4cevA-3rhgA:
23.82
4cevB-3rhgA:
23.82
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.
4CEV_C_GAIC409_0
(PROTEIN (ARGINASE))		 3rhg PUTATIVE
PHOPHOTRIESTERASE
(Proteus
mirabilis) 		4 / 6 MET A 254
ASP A 253
HIS A  25
GLU A  24
 BEZ  A 369 ( 3.9A)
None
ZN  A 367 ( 3.2A)
None
 1.30A 4cevA-3rhgA:
undetectable
4cevC-3rhgA:
1.4		 4cevA-3rhgA:
23.82
4cevC-3rhgA:
23.82
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.
4DF3_A_SAMA301_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		 3r9s CARNITINYL-COA
DEHYDRATASE
(Mycobacterium
avium) 		5 / 12 GLY A 111
ALA A 143
ALA A 118
VAL A  92
ALA A 108
 BEZ  A 264 ( 4.4A)
BEZ  A 264 (-3.5A)
EDO  A 265 (-4.5A)
None
None
 1.38A 4df3A-3r9sA:
undetectable		 4df3A-3r9sA:
23.39
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.
4E7C_D_ACTD504_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 5ewu MAGNESIUM-CHELATASE
SUBUNIT CHLH,
CHLOROPLASTIC
(Arabidopsis
thaliana) 		3 / 3 GLY A1088
SER A1087
TRP A1033
 MG  A1402 (-3.9A)
BEZ  A1401 (-2.5A)
None
 0.92A 4e7cD-5ewuA:
1.6		 4e7cD-5ewuA:
23.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EAT_A_BEZA1000_0
(BENZOATE-COENZYME A
LIGASE)		 2v7b BENZOATE-COENZYME A
LIGASE
(Paraburkholderia
xenovorans) 		7 / 7 ALA A 237
TYR A 238
ALA A 308
GLY A 309
ILE A 332
GLY A 333
ILE A 340
 BEZ  A1529 ( 3.7A)
BEZ  A1529 (-4.3A)
BEZ  A1529 (-3.6A)
BEZ  A1529 (-3.5A)
None
BEZ  A1529 (-3.6A)
BEZ  A1529 ( 4.9A)
 0.24A 4eatA-2v7bA:
62.0		 4eatA-2v7bA:
60.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EAT_B_BEZB1000_0
(BENZOATE-COENZYME A
LIGASE)		 2v7b BENZOATE-COENZYME A
LIGASE
(Paraburkholderia
xenovorans) 		7 / 9 ALA A 237
TYR A 238
ALA A 308
GLY A 309
GLY A 333
HIS A 339
LYS A 520
 BEZ  A1529 ( 3.7A)
BEZ  A1529 (-4.3A)
BEZ  A1529 (-3.6A)
BEZ  A1529 (-3.5A)
BEZ  A1529 (-3.6A)
BEZ  A1529 (-3.8A)
BEZ  A1529 (-2.9A)
 1.18A 4eatB-2v7bA:
62.1		 4eatB-2v7bA:
60.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EAT_B_BEZB1000_0
(BENZOATE-COENZYME A
LIGASE)		 2v7b BENZOATE-COENZYME A
LIGASE
(Paraburkholderia
xenovorans) 		8 / 9 ALA A 237
TYR A 238
ALA A 308
GLY A 309
ILE A 332
GLY A 333
HIS A 339
ILE A 340
 BEZ  A1529 ( 3.7A)
BEZ  A1529 (-4.3A)
BEZ  A1529 (-3.6A)
BEZ  A1529 (-3.5A)
None
BEZ  A1529 (-3.6A)
BEZ  A1529 (-3.8A)
BEZ  A1529 ( 4.9A)
 0.27A 4eatB-2v7bA:
62.1		 4eatB-2v7bA:
60.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HZ2_A_BEZA302_0
(GLUTATHIONE
S-TRANSFERASE DOMAIN)		 4hz2 GLUTATHIONE
S-TRANSFERASE DOMAIN
(Xanthobacter
autotrophicus) 		6 / 6 MET A   6
SER A   9
ARG A 109
TYR A 110
TRP A 114
TYR A 164
 GSH  A 301 (-3.6A)
BEZ  A 302 (-3.1A)
BEZ  A 302 ( 4.3A)
UNL  A 303 ( 4.0A)
BEZ  A 302 (-3.5A)
BEZ  A 302 (-4.4A)
 0.01A 4hz2A-4hz2A:
39.1		 4hz2A-4hz2A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4M51_A_BEZA501_0
(AMIDOHYDROLASE
FAMILY PROTEIN)		 3v7p AMIDOHYDROLASE
FAMILY PROTEIN
(Nitratiruptor
sp.
SB155-2) 		6 / 6 ILE A  86
ARG A  89
ILE A 143
SER A 183
PHE A 227
LEU A 232
 None
None
BEZ  A 430 (-4.5A)
BEZ  A 430 (-4.8A)
BEZ  A 430 ( 4.8A)
BEZ  A 430 (-4.5A)
 0.36A 4m51A-3v7pA:
71.1		 4m51A-3v7pA:
99.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MF6_A_BEZA303_0
(GLUTATHIONE
S-TRANSFERASE DOMAIN)		 4mf6 GLUTATHIONE
S-TRANSFERASE DOMAIN
(Paraburkholderia
graminis) 		5 / 5 THR A  28
PRO A  29
PHE A 139
ASN A 192
TYR A 197
 GSH  A 301 (-3.3A)
GSH  A 302 ( 4.4A)
BEZ  A 303 (-3.4A)
BEZ  A 303 (-3.5A)
BEZ  A 303 (-4.2A)
 0.00A 4mf6A-4mf6A:
42.3		 4mf6A-4mf6A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PO0_A_NPSA602_1
(SERUM ALBUMIN)		 2q6u NIKD PROTEIN
(Streptomyces
tendae) 		4 / 8 ALA A 323
GLY A 354
LEU A 325
GLU A 101
 FAD  A 401 ( 4.1A)
None
None
BEZ  A 501 ( 2.6A)
 0.86A 4po0A-2q6uA:
undetectable		 4po0A-2q6uA:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TZC_D_EF2D505_1
(PROTEIN CEREBLON)		 2q6u NIKD PROTEIN
(Streptomyces
tendae) 		4 / 8 TYR A  56
THR A 107
HIS A  51
TRP A  52
 None
None
BEZ  A 501 ( 4.5A)
None
 1.50A 4tzcB-2q6uA:
0.0
4tzcD-2q6uA:
undetectable		 4tzcB-2q6uA:
12.53
4tzcD-2q6uA:
12.53
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.
4V20_A_ACTA1444_0
(CELLOBIOHYDROLASE)		 1i7q ANTHRANILATE
SYNTHASE
(Serratia
marcescens) 		4 / 5 GLY A 328
THR A 329
GLY A 485
GLU A 358
 BEZ  A1501 (-3.3A)
BEZ  A1501 (-3.9A)
BEZ  A1501 (-3.8A)
MG  A1701 ( 4.3A)
 0.86A 4v20A-1i7qA:
undetectable		 4v20A-1i7qA:
18.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XDQ_A_BEZA306_0
(GLYCOSIDE HYDROLASE
FAMILY PROTEIN)		 4xdq GLYCOSIDE HYDROLASE
FAMILY PROTEIN
(Mycolicibacteriu
m
thermoresistibil
e) 		3 / 3 ARG A 117
ASP A 254
TRP A 255
 BEZ  A 306 (-3.5A)
CD  A 302 ( 2.3A)
BEZ  A 306 (-4.2A)
 0.00A 4xdqA-4xdqA:
45.5		 4xdqA-4xdqA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YDQ_A_HFGA802_1
(PROLINE--TRNA LIGASE)		 1i7q ANTHRANILATE
SYNTHASE
(Serratia
marcescens) 		4 / 4 THR A 425
GLU A 309
THR A 329
HIS A 398
 BEZ  A1501 (-4.7A)
BEZ  A1501 (-3.8A)
BEZ  A1501 (-3.9A)
BEZ  A1501 ( 4.2A)
 1.37A 4ydqA-1i7qA:
1.3		 4ydqA-1i7qA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YDQ_A_HFGA802_1
(PROLINE--TRNA LIGASE)		 3r75 ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I
(Burkholderia
lata) 		4 / 4 THR A 304
GLU A 201
THR A 219
HIS A 279
 BEZ  A 701 (-4.7A)
BEZ  A 701 ( 4.3A)
BEZ  A 701 (-4.0A)
BEZ  A 701 (-3.8A)
 1.47A 4ydqA-3r75A:
3.1		 4ydqA-3r75A:
19.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ZGF_A_BEZA210_0
(UNCHARACTERIZED
PROTEIN)		 4zgf UNCHARACTERIZED
PROTEIN
(Bacteroides
vulgatus) 		4 / 4 VAL A 144
ALA A 159
ASN A 161
GLN A 163
 None
BEZ  A 210 (-3.4A)
BEZ  A 210 (-3.9A)
BEZ  A 210 (-3.2A)
 0.00A 4zgfA-4zgfA:
30.6		 4zgfA-4zgfA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ZVC_A_BEZA301_0
(DIGUANYLATE CYCLASE
DOSC)		 4zvc DIGUANYLATE CYCLASE
DOSC
(Escherichia
coli) 		4 / 8 ILE A 197
LEU A 201
ARG A 265
LEU A 269
 BEZ  A 301 (-4.9A)
BEZ  A 301 (-3.9A)
BEZ  A 301 (-3.6A)
BEZ  A 301 ( 4.9A)
 0.00A 4zvcA-4zvcA:
25.0
4zvcB-4zvcA:
23.9		 4zvcA-4zvcA:
100.00
4zvcB-4zvcA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ZVC_A_BEZA301_0
(DIGUANYLATE CYCLASE
DOSC)		 4zvc DIGUANYLATE CYCLASE
DOSC
(Escherichia
coli) 		4 / 8 ILE A 197
LEU A 201
ARG A 265
LEU A 269
 BEZ  A 301 (-4.9A)
BEZ  A 301 (-3.9A)
BEZ  A 301 (-3.6A)
BEZ  A 301 ( 4.9A)
 0.05A 4zvcA-4zvcA:
25.0
4zvcB-4zvcA:
23.9		 4zvcA-4zvcA:
100.00
4zvcB-4zvcA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZXI_A_GLYA1402_0
(TYROCIDINE
SYNTHETASE 3)		 2v7b BENZOATE-COENZYME A
LIGASE
(Paraburkholderia
xenovorans) 		4 / 7 PHE A 236
GLY A 309
THR A 335
LYS A 520
 BEZ  A1529 (-4.7A)
BEZ  A1529 (-3.5A)
None
BEZ  A1529 (-2.9A)
 0.78A 4zxiA-2v7bA:
41.7		 4zxiA-2v7bA:
18.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EWU_A_BEZA1401_0
(MAGNESIUM-CHELATASE
SUBUNIT CHLH,
CHLOROPLASTIC)		 5ewu MAGNESIUM-CHELATASE
SUBUNIT CHLH,
CHLOROPLASTIC
(Arabidopsis
thaliana) 		6 / 6 TRP A1033
GLY A1034
THR A1035
SER A1087
VAL A1089
HIS A1223
 None
BEZ  A1401 (-3.6A)
BEZ  A1401 (-2.6A)
BEZ  A1401 (-2.5A)
BEZ  A1401 (-4.0A)
BEZ  A1401 (-3.5A)
 0.00A 5ewuA-5ewuA:
68.6		 5ewuA-5ewuA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EWU_B_BEZB1401_0
(MAGNESIUM-CHELATASE
SUBUNIT CHLH,
CHLOROPLASTIC)		 5ewu MAGNESIUM-CHELATASE
SUBUNIT CHLH,
CHLOROPLASTIC
(Arabidopsis
thaliana) 		6 / 6 TRP A1033
GLY A1034
THR A1035
SER A1087
VAL A1089
HIS A1223
 None
BEZ  A1401 (-3.6A)
BEZ  A1401 (-2.6A)
BEZ  A1401 (-2.5A)
BEZ  A1401 (-4.0A)
BEZ  A1401 (-3.5A)
 0.43A 5ewuB-5ewuA:
63.2		 5ewuB-5ewuA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5F9Z_A_HFGA702_1
(AMINOACYL-TRNA
SYNTHETASE)		 1i7q ANTHRANILATE
SYNTHASE
(Serratia
marcescens) 		4 / 4 THR A 425
GLU A 309
THR A 329
HIS A 398
 BEZ  A1501 (-4.7A)
BEZ  A1501 (-3.8A)
BEZ  A1501 (-3.9A)
BEZ  A1501 ( 4.2A)
 1.38A 5f9zA-1i7qA:
undetectable		 5f9zA-1i7qA:
19.22
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.
5F9Z_A_HFGA702_1
(AMINOACYL-TRNA
SYNTHETASE)		 3r75 ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I
(Burkholderia
lata) 		4 / 4 THR A 304
GLU A 201
THR A 219
HIS A 279
 BEZ  A 701 (-4.7A)
BEZ  A 701 ( 4.3A)
BEZ  A 701 (-4.0A)
BEZ  A 701 (-3.8A)
 1.46A 5f9zA-3r75A:
1.5		 5f9zA-3r75A:
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.
5F9Z_B_HFGB703_1
(AMINOACYL-TRNA
SYNTHETASE)		 1i7q ANTHRANILATE
SYNTHASE
(Serratia
marcescens) 		4 / 4 THR A 425
GLU A 309
THR A 329
HIS A 398
 BEZ  A1501 (-4.7A)
BEZ  A1501 (-3.8A)
BEZ  A1501 (-3.9A)
BEZ  A1501 ( 4.2A)
 1.37A 5f9zB-1i7qA:
1.0		 5f9zB-1i7qA:
19.22
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.
5F9Z_B_HFGB703_1
(AMINOACYL-TRNA
SYNTHETASE)		 3r75 ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I
(Burkholderia
lata) 		4 / 4 THR A 304
GLU A 201
THR A 219
HIS A 279
 BEZ  A 701 (-4.7A)
BEZ  A 701 ( 4.3A)
BEZ  A 701 (-4.0A)
BEZ  A 701 (-3.8A)
 1.45A 5f9zB-3r75A:
undetectable		 5f9zB-3r75A:
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.
5FXT_A_0LAA1376_1
(DNA POLYMERASE III
SUBUNIT BETA)		 3r75 ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I
(Burkholderia
lata) 		4 / 7 LEU A 277
THR A 219
ILE A 216
LEU A 245
 None
BEZ  A 701 (-4.0A)
BEZ  A 701 (-4.2A)
None
 1.07A 5fxtA-3r75A:
undetectable		 5fxtA-3r75A:
19.32
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.
5HWA_A_GCSA302_1
(CHITOSANASE)		 2q9r PROTEIN OF UNKNOWN
FUNCTION
(Shewanella
baltica) 		4 / 7 THR A 126
ASP A  96
TYR A  89
GLY A  90
 None
None
None
BEZ  A 203 (-3.5A)
 1.06A 5hwaA-2q9rA:
2.0		 5hwaA-2q9rA:
21.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5IM2_A_BEZA401_0
(TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL)		 5im2 TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
(Rhodoferax
ferrireducens) 		12 / 12 PHE A  34
MET A  35
VAL A  41
TRP A  91
ILE A  93
HIS A 146
PRO A 172
LEU A 192
LEU A 209
VAL A 213
PHE A 241
GLN A 277
 BEZ  A 401 ( 4.1A)
BEZ  A 401 ( 2.9A)
None
None
BEZ  A 401 (-4.9A)
BEZ  A 401 ( 4.2A)
BEZ  A 401 (-4.3A)
BEZ  A 401 ( 3.8A)
BEZ  A 401 (-4.5A)
BEZ  A 401 ( 3.9A)
BEZ  A 401 ( 4.9A)
BEZ  A 401 (-3.9A)
 0.00A 5im2A-5im2A:
59.8		 5im2A-5im2A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5IM2_A_BEZA401_1
(TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL)		 5im2 TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
(Rhodoferax
ferrireducens) 		4 / 4 TYR A  96
ARG A 170
PRO A 210
GLU A 212
 BEZ  A 401 (-4.8A)
BEZ  A 401 (-2.8A)
BEZ  A 401 (-3.8A)
BEZ  A 401 (-3.6A)
 0.03A 5im2A-5im2A:
59.8		 5im2A-5im2A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KPC_B_SAMB401_0
(PAVINE
N-METHYLTRANSFERASE)		 3ccf CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE
(Trichormus
variabilis) 		5 / 12 GLY A  46
GLY A  48
ASN A  68
ASP A  89
ALA A 106
 None
None
None
None
BEZ  A 261 ( 4.7A)
 0.73A 5kpcB-3ccfA:
14.5		 5kpcB-3ccfA:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LJE_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		 3ccf CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE
(Trichormus
variabilis) 		6 / 12 PHE A 215
LEU A 148
ALA A 212
PRO A 165
PHE A 211
ILE A 141
 None
None
None
None
BEZ  A 261 (-3.6A)
None
 1.46A 5ljeA-3ccfA:
undetectable		 5ljeA-3ccfA:
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.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		 2v7b BENZOATE-COENZYME A
LIGASE
(Paraburkholderia
xenovorans) 		4 / 7 PHE A 236
GLY A 333
HIS A 339
LYS A 520
 BEZ  A1529 (-4.7A)
BEZ  A1529 (-3.6A)
BEZ  A1529 (-3.8A)
BEZ  A1529 (-2.9A)
 0.92A 5n9xA-2v7bA:
43.8		 5n9xA-2v7bA:
28.60
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.
5TJY_A_BEZA304_0
(4-HYDROXY-TETRAHYDRO
DIPICOLINATE
REDUCTASE)		 5tjz 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
REDUCTASE
(Mycobacterium
tuberculosis) 		3 / 3 MET A  59
GLU A  82
ARG A  83
 BEZ  A 302 ( 4.9A)
BEZ  A 302 ( 4.8A)
BEZ  A 302 (-3.4A)
 0.20A 5tjyA-5tjzA:
42.0		 5tjyA-5tjzA:
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.
5TJZ_A_BEZA302_0
(4-HYDROXY-TETRAHYDRO
DIPICOLINATE
REDUCTASE)		 5tjz 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
REDUCTASE
(Mycobacterium
tuberculosis) 		3 / 3 MET A  59
GLU A  82
ARG A  83
 BEZ  A 302 ( 4.9A)
BEZ  A 302 ( 4.8A)
BEZ  A 302 (-3.4A)
 0.02A 5tjzA-5tjzA:
43.6		 5tjzA-5tjzA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5U4S_B_BEZB301_0
(PUTATIVE SHORT CHAIN
DEHYDROGENASE)		 5u4s PUTATIVE SHORT CHAIN
DEHYDROGENASE
(Burkholderia
cenocepacia) 		8 / 8 ASN A  83
SER A 131
ILE A 132
LEU A 133
MET A 141
LEU A 144
PRO A 176
MET A 215
 BEZ  A 301 (-4.0A)
BEZ  A 301 (-2.6A)
None
BEZ  A 301 (-4.2A)
BEZ  A 301 (-3.5A)
BEZ  A 301 (-4.9A)
BEZ  A 301 ( 4.0A)
BEZ  A 301 ( 4.1A)
 0.14A 5u4sB-5u4sA:
41.8		 5u4sB-5u4sA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5U63_A_ACTA405_0
(THIOREDOXIN
REDUCTASE)		 1i7q ANTHRANILATE
SYNTHASE
(Serratia
marcescens) 		3 / 3 GLY A 328
LEU A 399
HIS A 362
 BEZ  A1501 (-3.3A)
None
None
 0.63A 5u63A-1i7qA:
undetectable		 5u63A-1i7qA:
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.
5U63_B_ACTB405_0
(THIOREDOXIN
REDUCTASE)		 1i7q ANTHRANILATE
SYNTHASE
(Serratia
marcescens) 		3 / 3 GLY A 328
LEU A 399
HIS A 362
 BEZ  A1501 (-3.3A)
None
None
 0.68A 5u63B-1i7qA:
undetectable		 5u63B-1i7qA:
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.
5V4V_A_NCAA402_0
(NADPH DEHYDROGENASE
3)		 1s9a CHLOROCATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		4 / 8 HIS A 194
TYR A 169
PHE A  78
PRO A  77
 FE  A 300 ( 3.2A)
FE  A 300 ( 4.5A)
BEZ  A 306 (-4.9A)
TAM  A 305 ( 4.4A)
 1.22A 5v4vA-1s9aA:
undetectable		 5v4vA-1s9aA:
20.94
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.
5V4V_A_NCAA402_0
(NADPH DEHYDROGENASE
3)		 1tmx HYDROXYQUINOL
1,2-DIOXYGENASE
(Pimelobacter
simplex) 		4 / 8 HIS A 221
TYR A 197
PHE A 111
PRO A 110
 FE  A 861 ( 3.3A)
FE  A 861 ( 4.4A)
BEZ  A 881 (-4.6A)
BEZ  A 881 (-4.3A)
 1.28A 5v4vA-1tmxA:
undetectable		 5v4vA-1tmxA:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V4V_B_NCAB402_0
(NADPH DEHYDROGENASE
3)		 1s9a CHLOROCATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		4 / 8 HIS A 194
TYR A 169
PHE A  78
PRO A  77
 FE  A 300 ( 3.2A)
FE  A 300 ( 4.5A)
BEZ  A 306 (-4.9A)
TAM  A 305 ( 4.4A)
 1.19A 5v4vB-1s9aA:
undetectable		 5v4vB-1s9aA:
20.94
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.
5V4V_B_NCAB402_0
(NADPH DEHYDROGENASE
3)		 1tmx HYDROXYQUINOL
1,2-DIOXYGENASE
(Pimelobacter
simplex) 		4 / 8 HIS A 221
TYR A 197
PHE A 111
PRO A 110
 FE  A 861 ( 3.3A)
FE  A 861 ( 4.4A)
BEZ  A 881 (-4.6A)
BEZ  A 881 (-4.3A)
 1.26A 5v4vB-1tmxA:
undetectable		 5v4vB-1tmxA:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XIO_A_HFGA801_1
(PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE))		 5im2 TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
(Rhodoferax
ferrireducens) 		3 / 3 THR A 173
GLU A 108
HIS A 146
 None
None
BEZ  A 401 ( 4.2A)
 0.88A 5xioA-5im2A:
undetectable		 5xioA-5im2A:
19.72
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.
5XIP_B_HFGB1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)		 3r75 ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I
(Burkholderia
lata) 		5 / 12 PRO A 303
THR A 304
GLU A 201
THR A 219
HIS A 279
 None
BEZ  A 701 (-4.7A)
BEZ  A 701 ( 4.3A)
BEZ  A 701 (-4.0A)
BEZ  A 701 (-3.8A)
 1.47A 5xipB-3r75A:
undetectable		 5xipB-3r75A:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XIQ_B_HFGB1002_1
(PROLYL-TRNA
SYNTHETASE (PRORS))		 5im2 TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
(Rhodoferax
ferrireducens) 		3 / 3 THR A 173
GLU A 108
HIS A 146
 None
None
BEZ  A 401 ( 4.2A)
 0.85A 5xiqB-5im2A:
undetectable		 5xiqB-5im2A:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XIQ_D_HFGD1002_1
(PROLYL-TRNA
SYNTHETASE (PRORS))		 5im2 TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
(Rhodoferax
ferrireducens) 		3 / 3 THR A 173
GLU A 108
HIS A 146
 None
None
BEZ  A 401 ( 4.2A)
 0.88A 5xiqD-5im2A:
undetectable		 5xiqD-5im2A:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Y2T_B_8LXB501_0
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 3ccf CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE
(Trichormus
variabilis) 		5 / 12 LEU A 235
ILE A 144
ILE A 208
MET A 204
HIS A 109
 None
None
None
None
BEZ  A 261 (-3.7A)
 1.21A 5y2tB-3ccfA:
undetectable		 5y2tB-3ccfA:
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.
5Y2T_B_8LXB501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 3v7p AMIDOHYDROLASE
FAMILY PROTEIN
(Nitratiruptor
sp.
SB155-2) 		4 / 8 PHE A 224
HIS A 179
PHE A 228
LEU A  82
 None
UNL  A 436 ( 3.9A)
BEZ  A 430 ( 4.6A)
None
 0.98A 5y2tB-3v7pA:
undetectable		 5y2tB-3v7pA:
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_0
(TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLTRANSFERASE
SUBUNIT)		 1s9a CHLOROCATECHOL
1,2-DIOXYGENASE
(Rhodococcus
opacus) 		5 / 12 ALA A  53
GLY A  76
THR A 177
LEU A 180
PHE A  54
 BEZ  A 306 (-4.0A)
BEZ  A 306 ( 3.5A)
None
None
None
 1.16A 5ybbA-1s9aA:
undetectable		 5ybbA-1s9aA:
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.
6AG0_A_ACRA605_0
(ALPHA-AMYLASE)		 3gv1 DISULFIDE
INTERCHANGE PROTEIN
(Neisseria
gonorrhoeae) 		4 / 8 GLY A 175
ASP A 145
ASP A 147
PRO A 149
 None
None
None
BEZ  A 302 (-4.2A)
 0.83A 6ag0A-3gv1A:
undetectable		 6ag0A-3gv1A:
18.71
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.
6AG0_C_ACRC605_0
(ALPHA-AMYLASE)		 3gv1 DISULFIDE
INTERCHANGE PROTEIN
(Neisseria
gonorrhoeae) 		4 / 8 GLY A 175
ASP A 145
ASP A 147
PRO A 149
 None
None
None
BEZ  A 302 (-4.2A)
 0.79A 6ag0C-3gv1A:
undetectable		 6ag0C-3gv1A:
18.71
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.
6C2M_B_SUEB1202_0
(NS3 PROTEASE)		 5im2 TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
(Rhodoferax
ferrireducens) 		5 / 12 GLY A 149
VAL A 213
ILE A 339
GLY A 234
ALA A 116
 None
BEZ  A 401 ( 3.9A)
None
None
None
 1.17A 6c2mB-5im2A:
undetectable		 6c2mB-5im2A:
12.27
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.
6C2M_D_SUED1202_0
(NS3 PROTEASE)		 5im2 TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
(Rhodoferax
ferrireducens) 		5 / 12 GLN A 277
GLY A 147
ILE A 195
ALA A 208
ALA A 207
 BEZ  A 401 (-3.9A)
None
None
None
None
 0.71A 6c2mD-5im2A:
undetectable		 6c2mD-5im2A:
12.27
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.
6DLZ_A_CYZA1302_0
(GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT)		 2v7b BENZOATE-COENZYME A
LIGASE
(Paraburkholderia
xenovorans) 		5 / 10 SER A 387
LEU A 381
SER A 410
ILE A 332
GLY A 333
 None
None
None
None
BEZ  A1529 (-3.6A)
 1.12A 6dlzA-2v7bA:
4.0
6dlzD-2v7bA:
2.7		 6dlzA-2v7bA:
11.30
6dlzD-2v7bA:
11.30
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.
6DLZ_C_CYZC1302_0
(GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT)		 2v7b BENZOATE-COENZYME A
LIGASE
(Paraburkholderia
xenovorans) 		5 / 10 ILE A 332
GLY A 333
SER A 387
LEU A 381
SER A 410
 None
BEZ  A1529 (-3.6A)
None
None
None
 1.13A 6dlzB-2v7bA:
3.0
6dlzC-2v7bA:
3.8		 6dlzB-2v7bA:
11.30
6dlzC-2v7bA:
11.30
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.
6DM1_A_CYZA1302_0
(GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT)		 2v7b BENZOATE-COENZYME A
LIGASE
(Paraburkholderia
xenovorans) 		5 / 10 SER A 387
LEU A 381
SER A 410
ILE A 332
GLY A 333
 None
None
None
None
BEZ  A1529 (-3.6A)
 1.13A 6dm1A-2v7bA:
3.8
6dm1D-2v7bA:
3.0		 6dm1A-2v7bA:
11.30
6dm1D-2v7bA:
11.30
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.
6DM1_C_CYZC1302_0
(GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT)		 2v7b BENZOATE-COENZYME A
LIGASE
(Paraburkholderia
xenovorans) 		5 / 10 ILE A 332
GLY A 333
SER A 387
LEU A 381
SER A 410
 None
BEZ  A1529 (-3.6A)
None
None
None
 1.13A 6dm1B-2v7bA:
2.7
6dm1C-2v7bA:
3.7		 6dm1B-2v7bA:
11.30
6dm1C-2v7bA:
11.30
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.
6MN4_A_AM2A301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 1i7q ANTHRANILATE
SYNTHASE
(Serratia
marcescens) 		4 / 8 ASP A 497
HIS A 398
ARG A 494
GLU A 351
 None
BEZ  A1501 ( 4.2A)
None
None
 1.24A 6mn4A-1i7qA:
0.0		 6mn4A-1i7qA:
22.35
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.
6MN4_B_AM2B301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 1i7q ANTHRANILATE
SYNTHASE
(Serratia
marcescens) 		4 / 8 ASP A 497
HIS A 398
ARG A 494
GLU A 351
 None
BEZ  A1501 ( 4.2A)
None
None
 1.26A 6mn4B-1i7qA:
0.0		 6mn4B-1i7qA:
22.35