SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'B3P'


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.
1AGM_A_ACRA495_1
(GLUCOAMYLASE-471)		 6fhv GLUCOAMYLASE
(Penicillium
oxalicum) 		12 / 12 ALA A  66
TYR A  75
TRP A  79
ARG A  81
ASP A  82
TRP A 154
GLY A 155
GLU A 214
ARG A 341
TYR A 347
TRP A 353
GLU A 436
 B3P  A 652 ( 3.9A)
B3P  A 652 (-4.1A)
B3P  A 652 ( 4.1A)
B3P  A 652 (-4.0A)
B3P  A 652 (-2.8A)
B3P  A 652 (-4.3A)
None
B3P  A 652 (-3.4A)
B3P  A 652 (-2.8A)
B3P  A 652 ( 3.8A)
None
B3P  A 652 ( 4.6A)
 0.36A 1agmA-6fhvA:
62.7		 1agmA-6fhvA:
8.22
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.
1AGM_A_ACRA495_2
(GLUCOAMYLASE-471)		 6fhv GLUCOAMYLASE
(Penicillium
oxalicum) 		4 / 4 TRP A 212
GLU A 213
LEU A 451
TRP A 453
 None
B3P  A 652 (-3.7A)
None
None
 0.25A 1agmA-6fhvA:
62.7		 1agmA-6fhvA:
8.22
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.
1AGM_A_ACRA496_1
(GLUCOAMYLASE-471)		 6fhv GLUCOAMYLASE
(Penicillium
oxalicum) 		12 / 12 ALA A  66
TYR A  75
TRP A  79
ARG A  81
ASP A  82
TRP A 154
GLY A 155
GLU A 214
ARG A 341
TYR A 347
TRP A 353
GLU A 436
 B3P  A 652 ( 3.9A)
B3P  A 652 (-4.1A)
B3P  A 652 ( 4.1A)
B3P  A 652 (-4.0A)
B3P  A 652 (-2.8A)
B3P  A 652 (-4.3A)
None
B3P  A 652 (-3.4A)
B3P  A 652 (-2.8A)
B3P  A 652 ( 3.8A)
None
B3P  A 652 ( 4.6A)
 0.36A 1agmA-6fhvA:
62.7		 1agmA-6fhvA:
8.22
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.
1AGM_A_ACRA496_2
(GLUCOAMYLASE-471)		 6fhv GLUCOAMYLASE
(Penicillium
oxalicum) 		4 / 5 TRP A 212
GLU A 213
LEU A 451
TRP A 453
 None
B3P  A 652 (-3.7A)
None
None
 0.25A 1agmA-6fhvA:
62.7		 1agmA-6fhvA:
8.22
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.
1EI6_D_PPFD412_1
(PHOSPHONOACETATE
HYDROLASE)		 3lnl UPF0135 PROTEIN
SA1388
(Staphylococcus
aureus) 		4 / 8 ASP A 106
HIS A  68
HIS A  69
HIS A 102
 ZN  A 401 ( 2.0A)
ZN  A 401 (-3.4A)
ZN  A 402 (-3.5A)
B3P  A 371 ( 4.8A)
 1.01A 1ei6D-3lnlA:
undetectable		 1ei6D-3lnlA:
22.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GAH_A_ACRA497_1
(GLUCOAMYLASE-471)		 6fhv GLUCOAMYLASE
(Penicillium
oxalicum) 		11 / 12 TYR A  75
TRP A  79
ARG A  81
ASP A  82
TRP A 154
GLY A 155
GLU A 213
GLU A 214
TYR A 347
TRP A 353
GLU A 436
 B3P  A 652 (-4.1A)
B3P  A 652 ( 4.1A)
B3P  A 652 (-4.0A)
B3P  A 652 (-2.8A)
B3P  A 652 (-4.3A)
None
B3P  A 652 (-3.7A)
B3P  A 652 (-3.4A)
B3P  A 652 ( 3.8A)
None
B3P  A 652 ( 4.6A)
 0.31A 1gahA-6fhvA:
62.7		 1gahA-6fhvA:
8.22
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.
1GAH_A_ACRA497_2
(GLUCOAMYLASE-471)		 6fhv GLUCOAMYLASE
(Penicillium
oxalicum) 		5 / 6 ALA A  66
TRP A 212
ARG A 341
LEU A 451
TRP A 453
 B3P  A 652 ( 3.9A)
None
B3P  A 652 (-2.8A)
None
None
 0.44A 1gahA-6fhvA:
62.7		 1gahA-6fhvA:
8.22
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.
1GMK_C_DVAC6_0
(GRAMICIDIN A)		 3zxl HIAXHD3
(Humicola
insolens) 		3 / 3 ALA A 102
VAL A 104
TRP A 108
 None
None
B3P  A1560 (-3.6A)
 1.02A 1gmkC-3zxlA:
undetectable
1gmkD-3zxlA:
undetectable		 1gmkC-3zxlA:
2.92
1gmkD-3zxlA:
2.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LF9_A_ACRA700_1
(GLUCOAMYLASE)		 6fhv GLUCOAMYLASE
(Penicillium
oxalicum) 		9 / 12 ALA A  66
TYR A  75
TRP A  79
ARG A  81
ASP A  82
GLU A 214
ARG A 341
TYR A 347
TRP A 453
 B3P  A 652 ( 3.9A)
B3P  A 652 (-4.1A)
B3P  A 652 ( 4.1A)
B3P  A 652 (-4.0A)
B3P  A 652 (-2.8A)
B3P  A 652 (-3.4A)
B3P  A 652 (-2.8A)
B3P  A 652 ( 3.8A)
None
 0.46A 1lf9A-6fhvA:
10.4		 1lf9A-6fhvA:
8.04
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.
1LF9_A_ACRA700_1
(GLUCOAMYLASE)		 6fhv GLUCOAMYLASE
(Penicillium
oxalicum) 		5 / 12 ALA A  66
TYR A  75
TRP A 154
GLU A 214
TYR A 347
 B3P  A 652 ( 3.9A)
B3P  A 652 (-4.1A)
B3P  A 652 (-4.3A)
B3P  A 652 (-3.4A)
B3P  A 652 ( 3.8A)
 1.01A 1lf9A-6fhvA:
10.4		 1lf9A-6fhvA:
8.04
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.
1LF9_A_ACRA700_2
(GLUCOAMYLASE)		 6fhv GLUCOAMYLASE
(Penicillium
oxalicum) 		4 / 4 TRP A 212
GLU A 213
TRP A 353
LEU A 451
 None
B3P  A 652 (-3.7A)
None
None
 0.30A 1lf9A-6fhvA:
10.4		 1lf9A-6fhvA:
8.04
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.
1LF9_B_ACRB701_1
(GLUCOAMYLASE)		 6fhv GLUCOAMYLASE
(Penicillium
oxalicum) 		9 / 12 ALA A  66
TYR A  75
TRP A  79
ARG A  81
ASP A  82
GLU A 214
ARG A 341
TYR A 347
TRP A 353
 B3P  A 652 ( 3.9A)
B3P  A 652 (-4.1A)
B3P  A 652 ( 4.1A)
B3P  A 652 (-4.0A)
B3P  A 652 (-2.8A)
B3P  A 652 (-3.4A)
B3P  A 652 (-2.8A)
B3P  A 652 ( 3.8A)
None
 0.36A 1lf9B-6fhvA:
10.4		 1lf9B-6fhvA:
8.04
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.
1LF9_B_ACRB701_1
(GLUCOAMYLASE)		 6fhv GLUCOAMYLASE
(Penicillium
oxalicum) 		5 / 12 ALA A  66
TYR A  75
TRP A 154
GLU A 214
TYR A 347
 B3P  A 652 ( 3.9A)
B3P  A 652 (-4.1A)
B3P  A 652 (-4.3A)
B3P  A 652 (-3.4A)
B3P  A 652 ( 3.8A)
 1.00A 1lf9B-6fhvA:
10.4		 1lf9B-6fhvA:
8.04
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.
1LF9_B_ACRB701_1
(GLUCOAMYLASE)		 6fhv GLUCOAMYLASE
(Penicillium
oxalicum) 		6 / 12 TRP A  79
GLN A 158
GLU A 214
ARG A 341
TYR A 347
TRP A 353
 B3P  A 652 ( 4.1A)
None
B3P  A 652 (-3.4A)
B3P  A 652 (-2.8A)
B3P  A 652 ( 3.8A)
None
 1.39A 1lf9B-6fhvA:
10.4		 1lf9B-6fhvA:
8.04
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.
1LF9_B_ACRB701_2
(GLUCOAMYLASE)		 6fhv GLUCOAMYLASE
(Penicillium
oxalicum) 		4 / 4 TRP A 212
GLU A 213
LEU A 451
TRP A 453
 None
B3P  A 652 (-3.7A)
None
None
 0.45A 1lf9B-6fhvA:
10.4		 1lf9B-6fhvA:
8.04
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.
1LII_A_ADNA699_1
(ADENOSINE KINASE)		 2xsg CCMAN5
(Cellulosimicrobi
um
cellulans) 		5 / 12 ASP A 660
GLY A  71
GLY A  72
ASN A  49
THR A 626
 None
B3P  A1773 (-3.3A)
B3P  A1773 (-4.1A)
None
None
 1.06A 1liiA-2xsgA:
undetectable		 1liiA-2xsgA:
19.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LIK_A_ADNA699_1
(ADENOSINE KINASE)		 2xsg CCMAN5
(Cellulosimicrobi
um
cellulans) 		5 / 12 ASP A 660
GLY A  71
GLY A  72
ASN A  49
THR A 626
 None
B3P  A1773 (-3.3A)
B3P  A1773 (-4.1A)
None
None
 1.13A 1likA-2xsgA:
undetectable		 1likA-2xsgA:
19.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M4G_B_RIOB501_0
(AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE)		 3zxl HIAXHD3
(Humicola
insolens) 		5 / 9 ASP A  43
GLU A 358
GLY A  65
SER A  56
ASP A  40
 B3P  A1560 (-2.7A)
None
None
None
None
 1.27A 1m4gB-3zxlA:
undetectable		 1m4gB-3zxlA:
16.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MXG_A_ACRA444_1
(ALPHA AMYLASE)		 3zxl HIAXHD3
(Humicola
insolens) 		4 / 7 TYR A 326
TRP A 322
HIS A 272
GLY A 269
 None
None
B3P  A1560 ( 4.7A)
None
 1.23A 1mxgA-3zxlA:
undetectable		 1mxgA-3zxlA:
20.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NSI_B_H4BB601_1
(PROTEIN (NITRIC
OXIDE SYNTHASE))		 3c2u XYLOSIDASE/ARABINOSI
DASE
(Selenomonas
ruminantium) 		4 / 6 GLU A  32
ARG A 290
ILE A  72
TRP A  73
 None
B3P  A 539 (-2.7A)
None
B3P  A 539 (-4.6A)
 1.48A 1nsiA-3c2uA:
undetectable
1nsiB-3c2uA:
undetectable		 1nsiA-3c2uA:
22.59
1nsiB-3c2uA:
22.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NT5_A_DVAA6_0
(GRAMICIDIN A)		 4ich TRANSCRIPTIONAL
REGULATOR
(Saccharomonospor
a
viridis) 		3 / 3 ALA A 147
VAL A 152
TRP A 194
 None
None
B3P  A 302 (-4.2A)
 0.86A 1nt5A-4ichA:
undetectable		 1nt5A-4ichA:
6.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NT5_B_DVAB6_0
(GRAMICIDIN A)		 4ich TRANSCRIPTIONAL
REGULATOR
(Saccharomonospor
a
viridis) 		3 / 3 ALA A 147
VAL A 152
TRP A 194
 None
None
B3P  A 302 (-4.2A)
 0.86A 1nt5B-4ichA:
undetectable		 1nt5B-4ichA:
6.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ONI_I_BEZI518_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 3wvj BETA-GLUCANASE
(Ruminiclostridiu
m
thermocellum) 		4 / 7 ILE A 218
GLY A 217
PRO A  89
ASN A  56
 None
None
None
B3P  A 302 (-3.1A)
 0.97A 1oniG-3wvjA:
undetectable
1oniI-3wvjA:
undetectable		 1oniG-3wvjA:
20.95
1oniI-3wvjA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1P6K_A_MTLA870_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 5xjg VACUOLAR PROTEIN 8
NUCLEUS-VACUOLE
JUNCTION PROTEIN 1
(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		4 / 8 SER A 280
ARG A 242
ASN B 304
ASP B 306
 None
None
None
B3P  A 602 (-3.2A)
 1.27A 1p6kA-5xjgA:
undetectable		 1p6kA-5xjgA:
18.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R55_A_097A518_1
(ADAM 33)		 3lnl UPF0135 PROTEIN
SA1388
(Staphylococcus
aureus) 		5 / 10 ALA A  23
THR A 103
HIS A  69
GLU A 333
HIS A 330
 None
B3P  A 371 ( 4.8A)
ZN  A 402 (-3.5A)
ZN  A 401 ( 2.4A)
ZN  A 402 (-3.4A)
 1.25A 1r55A-3lnlA:
undetectable		 1r55A-3lnlA:
19.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R9O_A_FLPA501_1
(CYTOCHROME P450 2C9)		 4uov CARBONATE
DEHYDRATASE
(Thermovibrio
ammonificans) 		5 / 12 VAL A 160
ASN A  84
VAL A 228
MET A 229
LEU A 174
 None
None
B3P  A 301 (-3.5A)
None
None
 1.08A 1r9oA-4uovA:
undetectable		 1r9oA-4uovA:
18.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1T7I_A_017A200_2
(POL POLYPROTEIN)		 3zxl HIAXHD3
(Humicola
insolens) 		4 / 7 ALA A 218
ASP A 167
GLY A 275
ILE A 276
 None
B3P  A1560 (-2.9A)
None
None
 0.76A 1t7iB-3zxlA:
undetectable		 1t7iB-3zxlA:
10.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1T7J_A_478A200_2
(POL POLYPROTEIN)		 3zxl HIAXHD3
(Humicola
insolens) 		4 / 7 ALA A 218
ASP A 167
GLY A 275
ILE A 276
 None
B3P  A1560 (-2.9A)
None
None
 0.76A 1t7jB-3zxlA:
undetectable		 1t7jB-3zxlA:
10.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ULV_A_ACRA3000_1
(GLUCODEXTRANASE)		 6fhv GLUCOAMYLASE
(Penicillium
oxalicum) 		9 / 12 ALA A  66
TYR A  75
TRP A  79
ARG A  81
ASP A  82
GLU A 214
ARG A 341
TYR A 347
TRP A 353
 B3P  A 652 ( 3.9A)
B3P  A 652 (-4.1A)
B3P  A 652 ( 4.1A)
B3P  A 652 (-4.0A)
B3P  A 652 (-2.8A)
B3P  A 652 (-3.4A)
B3P  A 652 (-2.8A)
B3P  A 652 ( 3.8A)
None
 0.45A 1ulvA-6fhvA:
30.6		 1ulvA-6fhvA:
6.10
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.
1ULV_A_ACRA3000_2
(GLUCODEXTRANASE)		 6fhv GLUCOAMYLASE
(Penicillium
oxalicum) 		4 / 5 TRP A 212
GLU A 213
LEU A 451
TRP A 453
 None
B3P  A 652 (-3.7A)
None
None
 0.37A 1ulvA-6fhvA:
30.7		 1ulvA-6fhvA:
6.10
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.
1WOP_A_FFOA2888_0
(AMINOMETHYLTRANSFERA
SE)		 5k94 MALTOSE-BINDING
PERIPLASMIC
PROTEIN,PROTEIN
TRANSLOCASE SUBUNIT
SECA,MALTOSE-BINDING
PERIPLASMIC PROTEIN
(Escherichia
coli) 		5 / 10 LEU A1192
LEU A1195
ILE A 161
GLU A 153
LEU A 151
 None
None
None
B3P  A1401 (-4.0A)
None
 1.15A 1wopA-5k94A:
undetectable		 1wopA-5k94A:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F6D_A_ACRA995_1
(GLUCOAMYLASE GLU1)		 6fhv GLUCOAMYLASE
(Penicillium
oxalicum) 		12 / 12 ALA A  66
TYR A  75
TRP A  79
ARG A  81
ASP A  82
TRP A 154
GLY A 155
GLU A 214
ARG A 341
TYR A 347
TRP A 353
GLU A 436
 B3P  A 652 ( 3.9A)
B3P  A 652 (-4.1A)
B3P  A 652 ( 4.1A)
B3P  A 652 (-4.0A)
B3P  A 652 (-2.8A)
B3P  A 652 (-4.3A)
None
B3P  A 652 (-3.4A)
B3P  A 652 (-2.8A)
B3P  A 652 ( 3.8A)
None
B3P  A 652 ( 4.6A)
 0.44A 2f6dA-6fhvA:
44.5		 2f6dA-6fhvA:
11.94
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.
2F6D_A_ACRA995_2
(GLUCOAMYLASE GLU1)		 6fhv GLUCOAMYLASE
(Penicillium
oxalicum) 		4 / 4 TRP A 212
GLU A 213
LEU A 451
TRP A 453
 None
B3P  A 652 (-3.7A)
None
None
 0.20A 2f6dA-6fhvA:
44.5		 2f6dA-6fhvA:
11.94
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.
2JN3_A_JN3A130_2
(FATTY ACID-BINDING
PROTEIN, LIVER)		 2ooq RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE T
(Homo
sapiens) 		4 / 7 LEU A1043
ARG A1089
GLU A1063
ARG A1065
 None
None
None
B3P  A 301 (-4.3A)
 1.07A 2jn3A-2ooqA:
undetectable		 2jn3A-2ooqA:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QEB_A_HSMA145_1
(D7R4 PROTEIN)		 3dra PROTEIN
FARNESYLTRANSFERASE/
GERANYLGERANYLTRANSF
ERASE TYPE-1 SUBUNIT
ALPHA
(Candida
albicans) 		4 / 7 ILE A 132
ARG A 128
PHE A 124
ASP A 125
 None
None
None
B3P  A 307 (-3.0A)
 0.98A 2qebA-3draA:
undetectable		 2qebA-3draA:
20.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QEB_B_HSMB145_1
(D7R4 PROTEIN)		 3dra PROTEIN
FARNESYLTRANSFERASE/
GERANYLGERANYLTRANSF
ERASE TYPE-1 SUBUNIT
ALPHA
(Candida
albicans) 		4 / 7 ILE A 132
ARG A 128
PHE A 124
ASP A 125
 None
None
None
B3P  A 307 (-3.0A)
 1.02A 2qebB-3draA:
undetectable		 2qebB-3draA:
20.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VE3_B_REAB1445_1
(PUTATIVE CYTOCHROME
P450 120)		 5k94 MALTOSE-BINDING
PERIPLASMIC
PROTEIN,PROTEIN
TRANSLOCASE SUBUNIT
SECA,MALTOSE-BINDING
PERIPLASMIC PROTEIN
(Escherichia
coli) 		5 / 12 TRP A1230
ALA A1231
THR A1320
GLY A1260
PRO A1257
 B3P  A1401 (-3.3A)
None
None
None
None
 1.19A 2ve3B-5k94A:
undetectable		 2ve3B-5k94A:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AF0_A_PAUA314_0
(PANTOTHENATE KINASE)		 3lnl UPF0135 PROTEIN
SA1388
(Staphylococcus
aureus) 		4 / 8 ASP A 106
LEU A 242
GLY A 290
HIS A 102
 ZN  A 401 ( 2.0A)
B3P  A 371 (-4.5A)
B3P  A 371 ( 4.6A)
B3P  A 371 ( 4.8A)
 1.01A 3af0A-3lnlA:
undetectable		 3af0A-3lnlA:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3B7P_C_SPMC503_1
(SPERMIDINE SYNTHASE)		 2xsg CCMAN5
(Cellulosimicrobi
um
cellulans) 		5 / 12 TYR A 545
ASP A 464
ASP A 355
GLU A 589
ILE A 590
 None
None
B3P  A1773 (-2.8A)
CA  A1772 (-2.9A)
None
 1.23A 3b7pC-2xsgA:
undetectable		 3b7pC-2xsgA:
14.45
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.
3BJW_C_SVRC505_2
(PHOSPHOLIPASE A2)		 3zxl HIAXHD3
(Humicola
insolens) 		4 / 5 VAL A  36
VAL A 300
PHE A  53
ARG A 297
 None
None
None
B3P  A1560 (-2.8A)
 1.34A 3bjwH-3zxlA:
undetectable		 3bjwH-3zxlA:
12.15
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.
3BJW_H_SVRH504_3
(PHOSPHOLIPASE A2)		 4ich TRANSCRIPTIONAL
REGULATOR
(Saccharomonospor
a
viridis) 		5 / 11 VAL A 258
LEU A 259
GLY A 255
ILE A 251
THR A 183
 BME  A 301 (-4.6A)
None
None
B3P  A 302 ( 4.9A)
None
 1.31A 3bjwH-4ichA:
undetectable		 3bjwH-4ichA:
16.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JX4_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5twa BAK-2 PROTEIN
BCL-X HOMOLOGOUS
PROTEIN, BHP2
(Geodia
cydonium;
Lubomirskia
baicalensis) 		4 / 6 VAL D  82
VAL A 136
TRP A 133
PHE A 187
 None
None
B3P  A 309 (-4.3A)
None
 1.45A 3jx4A-5twaD:
undetectable
3jx4B-5twaD:
undetectable		 3jx4A-5twaD:
6.57
3jx4B-5twaD:
6.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JYR_A_ACRA371_2
(MALTOSE-BINDING
PERIPLASMIC PROTEIN)		 5k94 MALTOSE-BINDING
PERIPLASMIC
PROTEIN,PROTEIN
TRANSLOCASE SUBUNIT
SECA,MALTOSE-BINDING
PERIPLASMIC PROTEIN
(Escherichia
coli) 		4 / 7 GLU A 153
TYR A 155
MET A1330
TRP A1340
 B3P  A1401 (-4.0A)
B3P  A1401 ( 4.1A)
None
None
 0.49A 3jyrA-5k94A:
45.5		 3jyrA-5k94A:
66.60
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.
3MIH_A_CUA357_0
(PEPTIDYL-GLYCINE
ALPHA-AMIDATING
MONOOXYGENASE)		 3lnl UPF0135 PROTEIN
SA1388
(Staphylococcus
aureus) 		3 / 3 HIS A  69
HIS A  68
HIS A 102
 ZN  A 402 (-3.5A)
ZN  A 401 (-3.4A)
B3P  A 371 ( 4.8A)
 0.57A 3mihA-3lnlA:
undetectable		 3mihA-3lnlA:
22.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MIH_A_CUA357_0
(PEPTIDYL-GLYCINE
ALPHA-AMIDATING
MONOOXYGENASE)		 3lnl UPF0135 PROTEIN
SA1388
(Staphylococcus
aureus) 		3 / 3 HIS A 102
HIS A  69
HIS A  68
 B3P  A 371 ( 4.8A)
ZN  A 402 (-3.5A)
ZN  A 401 (-3.4A)
 0.64A 3mihA-3lnlA:
undetectable		 3mihA-3lnlA:
22.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N61_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE)		 5twa BAK-2 PROTEIN
BCL-X HOMOLOGOUS
PROTEIN, BHP2
(Geodia
cydonium;
Lubomirskia
baicalensis) 		4 / 6 VAL D  82
VAL A 136
TRP A 133
PHE A 187
 None
None
B3P  A 309 (-4.3A)
None
 1.43A 3n61A-5twaD:
undetectable
3n61B-5twaD:
undetectable		 3n61A-5twaD:
6.57
3n61B-5twaD:
6.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OU6_B_SAMB300_1
(SAM-DEPENDENT
METHYLTRANSFERASE)		 3zxl HIAXHD3
(Humicola
insolens) 		3 / 3 TYR A  62
ASP A  40
ASP A 291
 None
None
B3P  A1560 (-2.7A)
 0.87A 3ou6B-3zxlA:
undetectable		 3ou6B-3zxlA:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S53_A_017A201_1
(PROTEASE)		 4db5 TUMOR NECROSIS
FACTOR LIGAND
SUPERFAMILY MEMBER
18
(Oryctolagus
cuniculus) 		5 / 9 GLY A  41
ASP A  91
ASP A  94
ILE A  96
ILE A  87
 None
B3P  A 201 (-4.9A)
None
None
None
 0.92A 3s53A-4db5A:
undetectable		 3s53A-4db5A:
23.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SGL_A_SAMA692_0
(TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC)		 5g4i PHOSPHOLYASE
(Paenarthrobacter
aurescens) 		5 / 12 GLY A 261
GLY A 366
LYS A 337
ASP A 333
GLY A 258
 None
None
None
B3P  A1445 (-3.1A)
None
 1.05A 3sglA-5g4iA:
undetectable		 3sglA-5g4iA:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TGV_D_BEZD1_0
(HEME-BINDING PROTEIN
HUTZ)		 6fhv GLUCOAMYLASE
(Penicillium
oxalicum) 		4 / 6 ARG A  81
GLN A 158
PRO A 162
LEU A 164
 B3P  A 652 (-4.0A)
None
None
None
 1.35A 3tgvD-6fhvA:
undetectable		 3tgvD-6fhvA:
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.
3TTP_A_017A201_1
(HIV-1 PROTEASE)		 3zxl HIAXHD3
(Humicola
insolens) 		5 / 10 ALA A 218
ASP A 167
GLY A 275
ILE A 276
LEU A 171
 None
B3P  A1560 (-2.9A)
None
None
None
 0.96A 3ttpA-3zxlA:
undetectable		 3ttpA-3zxlA:
11.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TTP_A_017A201_2
(HIV-1 PROTEASE)		 3zxl HIAXHD3
(Humicola
insolens) 		5 / 10 ALA A 218
ASP A 167
GLY A 275
ILE A 276
LEU A 171
 None
B3P  A1560 (-2.9A)
None
None
None
 0.91A 3ttpB-3zxlA:
undetectable		 3ttpB-3zxlA:
11.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U7S_A_017A201_2
(POL POLYPROTEIN)		 3zxl HIAXHD3
(Humicola
insolens) 		5 / 9 ALA A 218
ASP A 167
GLY A 275
ILE A 276
LEU A 171
 None
B3P  A1560 (-2.9A)
None
None
None
 0.99A 3u7sB-3zxlA:
undetectable		 3u7sB-3zxlA:
11.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U7S_A_017A202_2
(POL POLYPROTEIN)		 3zxl HIAXHD3
(Humicola
insolens) 		5 / 9 ALA A 218
ASP A 167
GLY A 275
ILE A 276
LEU A 171
 None
B3P  A1560 (-2.9A)
None
None
None
 0.99A 3u7sB-3zxlA:
undetectable		 3u7sB-3zxlA:
11.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UBO_B_ADNB353_1
(ADENOSINE KINASE)		 2xsg CCMAN5
(Cellulosimicrobi
um
cellulans) 		5 / 12 ASP A 660
GLY A  71
GLY A  72
ASN A  49
THR A 626
 None
B3P  A1773 (-3.3A)
B3P  A1773 (-4.1A)
None
None
 1.07A 3uboB-2xsgA:
undetectable		 3uboB-2xsgA:
19.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BBO_B_ACTB1114_0
(BLR5658 PROTEIN)		 4h59 IRON-COMPOUND ABC
TRANSPORTER, IRON
COMPOUND-BINDING
PROTEIN
(Streptococcus
pneumoniae) 		3 / 3 TRP A  63
TRP A  95
THR A  96
 B3P  A 401 ( 3.9A)
None
None
 1.17A 4bboB-4h59A:
undetectable		 4bboB-4h59A:
15.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CX7_D_H4BD600_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 3c2u XYLOSIDASE/ARABINOSI
DASE
(Selenomonas
ruminantium) 		4 / 7 GLU A  32
ARG A 290
ILE A  72
TRP A  73
 None
B3P  A 539 (-2.7A)
None
B3P  A 539 (-4.6A)
 1.48A 4cx7C-3c2uA:
undetectable
4cx7D-3c2uA:
undetectable		 4cx7C-3c2uA:
22.59
4cx7D-3c2uA:
22.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E3A_A_ADNA500_1
(SUGAR KINASE PROTEIN)		 2xsg CCMAN5
(Cellulosimicrobi
um
cellulans) 		5 / 12 ASP A 660
GLY A  71
GLY A  72
ASN A  49
THR A 626
 None
B3P  A1773 (-3.3A)
B3P  A1773 (-4.1A)
None
None
 1.06A 4e3aA-2xsgA:
undetectable		 4e3aA-2xsgA:
18.53
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.
4FEU_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 6fhv GLUCOAMYLASE
(Penicillium
oxalicum) 		4 / 7 ASP A 345
ASP A 210
GLU A 436
ASP A 281
 None
None
B3P  A 652 ( 4.6A)
None
 1.19A 4feuB-6fhvA:
undetectable		 4feuB-6fhvA:
12.87
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.
4FEU_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 6fhv GLUCOAMYLASE
(Penicillium
oxalicum) 		4 / 8 ASP A 345
ASP A 210
GLU A 436
ASP A 281
 None
None
B3P  A 652 ( 4.6A)
None
 0.91A 4feuD-6fhvA:
undetectable		 4feuD-6fhvA:
12.87
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.
4FEV_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 6fhv GLUCOAMYLASE
(Penicillium
oxalicum) 		4 / 7 ASP A 345
ASP A 210
GLU A 436
ASP A 281
 None
None
B3P  A 652 ( 4.6A)
None
 0.95A 4fevB-6fhvA:
undetectable		 4fevB-6fhvA:
12.87
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.
4FEW_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 6fhv GLUCOAMYLASE
(Penicillium
oxalicum) 		4 / 7 ASP A 345
ASP A 210
GLU A 436
ASP A 281
 None
None
B3P  A 652 ( 4.6A)
None
 0.97A 4fewB-6fhvA:
undetectable		 4fewB-6fhvA:
12.87
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.
4GKH_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 6fhv GLUCOAMYLASE
(Penicillium
oxalicum) 		4 / 8 ASP A 345
ASP A 210
GLU A 436
ASP A 281
 None
None
B3P  A 652 ( 4.6A)
None
 0.96A 4gkhD-6fhvA:
undetectable		 4gkhD-6fhvA:
12.87
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.
4JKU_B_ADNB500_1
(PROBABLE SUGAR
KINASE PROTEIN)		 2xsg CCMAN5
(Cellulosimicrobi
um
cellulans) 		5 / 12 ASP A 660
GLY A  71
GLY A  72
ASN A  49
THR A 626
 None
B3P  A1773 (-3.3A)
B3P  A1773 (-4.1A)
None
None
 1.06A 4jkuB-2xsgA:
undetectable		 4jkuB-2xsgA:
18.53
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.
4K8K_A_ADNA401_1
(SUGAR KINASE)		 2xsg CCMAN5
(Cellulosimicrobi
um
cellulans) 		5 / 12 ASP A 660
GLY A  71
GLY A  72
ASN A  49
THR A 626
 None
B3P  A1773 (-3.3A)
B3P  A1773 (-4.1A)
None
None
 1.05A 4k8kA-2xsgA:
undetectable		 4k8kA-2xsgA:
18.53
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.
4K8P_A_ADNA401_1
(SUGAR KINASE)		 2xsg CCMAN5
(Cellulosimicrobi
um
cellulans) 		5 / 12 ASP A 660
GLY A  71
GLY A  72
ASN A  49
THR A 626
 None
B3P  A1773 (-3.3A)
B3P  A1773 (-4.1A)
None
None
 1.06A 4k8pA-2xsgA:
undetectable		 4k8pA-2xsgA:
18.53
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.
4K8P_B_ADNB401_1
(SUGAR KINASE)		 2xsg CCMAN5
(Cellulosimicrobi
um
cellulans) 		5 / 12 ASP A 660
GLY A  71
GLY A  72
ASN A  49
THR A 626
 None
B3P  A1773 (-3.3A)
B3P  A1773 (-4.1A)
None
None
 1.04A 4k8pB-2xsgA:
undetectable		 4k8pB-2xsgA:
18.53
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.
4K8T_A_ADNA401_1
(SUGAR KINASE)		 2xsg CCMAN5
(Cellulosimicrobi
um
cellulans) 		5 / 12 ASP A 660
GLY A  71
GLY A  72
ASN A  49
THR A 626
 None
B3P  A1773 (-3.3A)
B3P  A1773 (-4.1A)
None
None
 1.05A 4k8tA-2xsgA:
undetectable		 4k8tA-2xsgA:
18.53
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.
4K8T_B_ADNB401_1
(SUGAR KINASE)		 2xsg CCMAN5
(Cellulosimicrobi
um
cellulans) 		5 / 12 ASP A 660
GLY A  71
GLY A  72
ASN A  49
THR A 626
 None
B3P  A1773 (-3.3A)
B3P  A1773 (-4.1A)
None
None
 1.04A 4k8tB-2xsgA:
undetectable		 4k8tB-2xsgA:
18.53
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.
4K93_A_ADNA401_1
(SUGAR KINASE)		 2xsg CCMAN5
(Cellulosimicrobi
um
cellulans) 		5 / 12 ASP A 660
GLY A  71
GLY A  72
ASN A  49
THR A 626
 None
B3P  A1773 (-3.3A)
B3P  A1773 (-4.1A)
None
None
 1.05A 4k93A-2xsgA:
undetectable		 4k93A-2xsgA:
18.53
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.
4K93_B_ADNB402_1
(SUGAR KINASE)		 2xsg CCMAN5
(Cellulosimicrobi
um
cellulans) 		5 / 12 ASP A 660
GLY A  71
GLY A  72
ASN A  49
THR A 626
 None
B3P  A1773 (-3.3A)
B3P  A1773 (-4.1A)
None
None
 1.06A 4k93B-2xsgA:
undetectable		 4k93B-2xsgA:
18.53
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.
4K9C_A_ADNA401_1
(SUGAR KINASE)		 2xsg CCMAN5
(Cellulosimicrobi
um
cellulans) 		5 / 12 ASP A 660
GLY A  71
GLY A  72
ASN A  49
THR A 626
 None
B3P  A1773 (-3.3A)
B3P  A1773 (-4.1A)
None
None
 1.04A 4k9cA-2xsgA:
undetectable		 4k9cA-2xsgA:
18.53
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.
4K9C_B_ADNB401_1
(SUGAR KINASE)		 2xsg CCMAN5
(Cellulosimicrobi
um
cellulans) 		5 / 12 ASP A 660
GLY A  71
GLY A  72
ASN A  49
THR A 626
 None
B3P  A1773 (-3.3A)
B3P  A1773 (-4.1A)
None
None
 1.05A 4k9cB-2xsgA:
undetectable		 4k9cB-2xsgA:
18.53
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.
4K9I_A_ADNA401_1
(SUGAR KINASE)		 2xsg CCMAN5
(Cellulosimicrobi
um
cellulans) 		5 / 12 ASP A 660
GLY A  71
GLY A  72
ASN A  49
THR A 626
 None
B3P  A1773 (-3.3A)
B3P  A1773 (-4.1A)
None
None
 1.04A 4k9iA-2xsgA:
undetectable		 4k9iA-2xsgA:
18.53
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.
4K9I_B_ADNB401_1
(SUGAR KINASE)		 2xsg CCMAN5
(Cellulosimicrobi
um
cellulans) 		5 / 12 ASP A 660
GLY A  71
GLY A  72
ASN A  49
THR A 626
 None
B3P  A1773 (-3.3A)
B3P  A1773 (-4.1A)
None
None
 1.03A 4k9iB-2xsgA:
undetectable		 4k9iB-2xsgA:
18.53
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.
4KAD_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 2xsg CCMAN5
(Cellulosimicrobi
um
cellulans) 		5 / 12 ASP A 660
GLY A  71
GLY A  72
ASN A  49
THR A 626
 None
B3P  A1773 (-3.3A)
B3P  A1773 (-4.1A)
None
None
 1.04A 4kadA-2xsgA:
undetectable		 4kadA-2xsgA:
18.53
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.
4KAD_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 2xsg CCMAN5
(Cellulosimicrobi
um
cellulans) 		5 / 12 ASP A 660
GLY A  71
GLY A  72
ASN A  49
THR A 626
 None
B3P  A1773 (-3.3A)
B3P  A1773 (-4.1A)
None
None
 1.04A 4kadB-2xsgA:
undetectable		 4kadB-2xsgA:
18.53
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.
4KAH_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 2xsg CCMAN5
(Cellulosimicrobi
um
cellulans) 		5 / 12 ASP A 660
GLY A  71
GLY A  72
ASN A  49
THR A 626
 None
B3P  A1773 (-3.3A)
B3P  A1773 (-4.1A)
None
None
 1.05A 4kahA-2xsgA:
undetectable		 4kahA-2xsgA:
18.53
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.
4KAH_B_ADNB502_1
(PROBABLE SUGAR
KINASE PROTEIN)		 2xsg CCMAN5
(Cellulosimicrobi
um
cellulans) 		5 / 12 ASP A 660
GLY A  71
GLY A  72
ASN A  49
THR A 626
 None
B3P  A1773 (-3.3A)
B3P  A1773 (-4.1A)
None
None
 1.04A 4kahB-2xsgA:
undetectable		 4kahB-2xsgA:
18.53
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.
4KAL_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 2xsg CCMAN5
(Cellulosimicrobi
um
cellulans) 		5 / 12 ASP A 660
GLY A  71
GLY A  72
ASN A  49
THR A 626
 None
B3P  A1773 (-3.3A)
B3P  A1773 (-4.1A)
None
None
 1.04A 4kalB-2xsgA:
undetectable		 4kalB-2xsgA:
18.53
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.
4KAN_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 2xsg CCMAN5
(Cellulosimicrobi
um
cellulans) 		5 / 12 ASP A 660
GLY A  71
GLY A  72
ASN A  49
THR A 626
 None
B3P  A1773 (-3.3A)
B3P  A1773 (-4.1A)
None
None
 1.06A 4kanB-2xsgA:
undetectable		 4kanB-2xsgA:
18.53
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.
4KBE_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 2xsg CCMAN5
(Cellulosimicrobi
um
cellulans) 		5 / 12 ASP A 660
GLY A  71
GLY A  72
ASN A  49
THR A 626
 None
B3P  A1773 (-3.3A)
B3P  A1773 (-4.1A)
None
None
 1.04A 4kbeA-2xsgA:
undetectable		 4kbeA-2xsgA:
18.53
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.
4KBE_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 2xsg CCMAN5
(Cellulosimicrobi
um
cellulans) 		5 / 12 ASP A 660
GLY A  71
GLY A  72
ASN A  49
THR A 626
 None
B3P  A1773 (-3.3A)
B3P  A1773 (-4.1A)
None
None
 1.05A 4kbeB-2xsgA:
undetectable		 4kbeB-2xsgA:
18.53
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.
4LBG_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 2xsg CCMAN5
(Cellulosimicrobi
um
cellulans) 		5 / 12 ASP A 660
GLY A  71
GLY A  72
ASN A  49
THR A 626
 None
B3P  A1773 (-3.3A)
B3P  A1773 (-4.1A)
None
None
 1.06A 4lbgA-2xsgA:
undetectable		 4lbgA-2xsgA:
18.53
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.
4LBG_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 2xsg CCMAN5
(Cellulosimicrobi
um
cellulans) 		5 / 12 ASP A 660
GLY A  71
GLY A  72
ASN A  49
THR A 626
 None
B3P  A1773 (-3.3A)
B3P  A1773 (-4.1A)
None
None
 1.05A 4lbgB-2xsgA:
undetectable		 4lbgB-2xsgA:
18.53
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.
4LBX_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 2xsg CCMAN5
(Cellulosimicrobi
um
cellulans) 		5 / 12 ASP A 660
GLY A  71
GLY A  72
ASN A  49
THR A 626
 None
B3P  A1773 (-3.3A)
B3P  A1773 (-4.1A)
None
None
 1.04A 4lbxA-2xsgA:
undetectable		 4lbxA-2xsgA:
18.53
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.
4LBX_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 2xsg CCMAN5
(Cellulosimicrobi
um
cellulans) 		5 / 12 ASP A 660
GLY A  71
GLY A  72
ASN A  49
THR A 626
 None
B3P  A1773 (-3.3A)
B3P  A1773 (-4.1A)
None
None
 1.04A 4lbxB-2xsgA:
undetectable		 4lbxB-2xsgA:
18.53
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.
4LC4_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 2xsg CCMAN5
(Cellulosimicrobi
um
cellulans) 		5 / 12 ASP A 660
GLY A  71
GLY A  72
ASN A  49
THR A 626
 None
B3P  A1773 (-3.3A)
B3P  A1773 (-4.1A)
None
None
 1.05A 4lc4A-2xsgA:
undetectable		 4lc4A-2xsgA:
18.53
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.
4LC4_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 2xsg CCMAN5
(Cellulosimicrobi
um
cellulans) 		5 / 12 ASP A 660
GLY A  71
GLY A  72
ASN A  49
THR A 626
 None
B3P  A1773 (-3.3A)
B3P  A1773 (-4.1A)
None
None
 1.05A 4lc4B-2xsgA:
undetectable		 4lc4B-2xsgA:
18.53
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.
4LCA_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 2xsg CCMAN5
(Cellulosimicrobi
um
cellulans) 		5 / 12 ASP A 660
GLY A  71
GLY A  72
ASN A  49
THR A 626
 None
B3P  A1773 (-3.3A)
B3P  A1773 (-4.1A)
None
None
 1.05A 4lcaA-2xsgA:
undetectable		 4lcaA-2xsgA:
18.53
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.
4NOS_B_H4BB1011_1
(INDUCIBLE NITRIC
OXIDE SYNTHASE)		 3c2u XYLOSIDASE/ARABINOSI
DASE
(Selenomonas
ruminantium) 		4 / 7 GLU A  32
ARG A 290
ILE A  72
TRP A  73
 None
B3P  A 539 (-2.7A)
None
B3P  A 539 (-4.6A)
 1.48A 4nosA-3c2uA:
undetectable
4nosB-3c2uA:
undetectable		 4nosA-3c2uA:
20.97
4nosB-3c2uA:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NOS_C_H4BC2011_1
(INDUCIBLE NITRIC
OXIDE SYNTHASE)		 3c2u XYLOSIDASE/ARABINOSI
DASE
(Selenomonas
ruminantium) 		4 / 7 ARG A 290
ILE A  72
TRP A  73
GLU A  32
 B3P  A 539 (-2.7A)
None
B3P  A 539 (-4.6A)
None
 1.46A 4nosC-3c2uA:
undetectable
4nosD-3c2uA:
undetectable		 4nosC-3c2uA:
20.97
4nosD-3c2uA:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q1X_A_017A101_1
(ASPARTYL PROTEASE)		 4db5 TUMOR NECROSIS
FACTOR LIGAND
SUPERFAMILY MEMBER
18
(Oryctolagus
cuniculus) 		5 / 11 GLY A  41
ASP A  91
ASP A  94
ILE A  96
ILE A  87
 None
B3P  A 201 (-4.9A)
None
None
None
 0.83A 4q1xA-4db5A:
undetectable		 4q1xA-4db5A:
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.
4Q1Y_A_017A106_1
(ASPARTYL PROTEASE)		 4db5 TUMOR NECROSIS
FACTOR LIGAND
SUPERFAMILY MEMBER
18
(Oryctolagus
cuniculus) 		5 / 10 GLY A  41
ASP A  91
ASP A  94
ILE A  96
ILE A  87
 None
B3P  A 201 (-4.9A)
None
None
None
 0.83A 4q1yA-4db5A:
undetectable		 4q1yA-4db5A:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R38_C_RBFC201_2
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 2ooq RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE T
(Homo
sapiens) 		5 / 9 ILE A1048
VAL A1053
LEU A1064
ILE A 997
PHE A1067
 B3P  A 301 ( 3.7A)
None
None
None
None
 1.31A 4r38C-2ooqA:
undetectable		 4r38C-2ooqA:
19.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Y9T_A_PA1A401_1
(ABC TRANSPORTER,
SOLUTE BINDING
PROTEIN)		 3zxl HIAXHD3
(Humicola
insolens) 		5 / 12 ASP A 291
PHE A 289
ASP A  43
ALA A 235
GLN A 273
 B3P  A1560 (-2.7A)
None
B3P  A1560 (-2.7A)
B3P  A1560 (-2.2A)
B3P  A1560 ( 4.1A)
 1.11A 4y9tA-3zxlA:
undetectable		 4y9tA-3zxlA:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ADD_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5twa BAK-2 PROTEIN
BCL-X HOMOLOGOUS
PROTEIN, BHP2
(Geodia
cydonium;
Lubomirskia
baicalensis) 		4 / 6 VAL D  82
VAL A 136
TRP A 133
PHE A 187
 None
None
B3P  A 309 (-4.3A)
None
 1.39A 5addA-5twaD:
undetectable
5addB-5twaD:
undetectable		 5addA-5twaD:
6.57
5addB-5twaD:
6.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ADE_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5twa BAK-2 PROTEIN
BCL-X HOMOLOGOUS
PROTEIN, BHP2
(Geodia
cydonium;
Lubomirskia
baicalensis) 		4 / 6 VAL D  82
VAL A 136
TRP A 133
PHE A 187
 None
None
B3P  A 309 (-4.3A)
None
 1.47A 5adeA-5twaD:
undetectable
5adeB-5twaD:
undetectable		 5adeA-5twaD:
6.57
5adeB-5twaD:
6.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CDQ_V_MFXV2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)		 3zxl HIAXHD3
(Humicola
insolens) 		4 / 5 SER A  58
ARG A 527
GLU A 455
ARG A 297
 B3P  A1560 ( 3.9A)
None
None
B3P  A1560 (-2.8A)
 1.09A 5cdqR-3zxlA:
undetectable
5cdqS-3zxlA:
undetectable
5cdqT-3zxlA:
undetectable		 5cdqR-3zxlA:
19.93
5cdqS-3zxlA:
14.34
5cdqT-3zxlA:
19.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DLV_B_5D5B927_1
(ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2)		 3zxl HIAXHD3
(Humicola
insolens) 		4 / 7 SER A  58
PHE A  60
TRP A 458
TYR A 293
 B3P  A1560 ( 3.9A)
B3P  A1560 (-4.2A)
None
B3P  A1560 (-4.1A)
 1.31A 5dlvB-3zxlA:
undetectable		 5dlvB-3zxlA:
20.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E5K_B_017B201_1
(HIV-1 PROTEASE)		 4db5 TUMOR NECROSIS
FACTOR LIGAND
SUPERFAMILY MEMBER
18
(Oryctolagus
cuniculus) 		5 / 12 GLY A  41
ASP A  91
ASP A  94
ILE A  96
ILE A  87
 None
B3P  A 201 (-4.9A)
None
None
None
 0.80A 5e5kA-4db5A:
undetectable		 5e5kA-4db5A:
23.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GQB_A_GCSA603_1
(CHITINASE)		 2xsg CCMAN5
(Cellulosimicrobi
um
cellulans) 		4 / 8 PHE A 529
GLY A 537
ASP A 355
ARG A 405
 None
None
B3P  A1773 (-2.8A)
B3P  A1773 (-3.9A)
 1.00A 5gqbA-2xsgA:
undetectable		 5gqbA-2xsgA:
22.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HFJ_C_SAMC301_1
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))		 3c2u XYLOSIDASE/ARABINOSI
DASE
(Selenomonas
ruminantium) 		4 / 4 ASP A  14
HIS A 189
SER A 250
GLU A 212
 B3P  A 539 (-2.7A)
None
None
None
 1.23A 5hfjC-3c2uA:
0.0		 5hfjC-3c2uA:
17.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NNW_D_GCSD302_1
(25 KDA PROTEIN
ELICITOR)		 2xsg CCMAN5
(Cellulosimicrobi
um
cellulans) 		4 / 7 ASP A 662
GLY A  69
ASP A 355
ASP A 660
 CA  A1772 (-3.0A)
None
B3P  A1773 (-2.8A)
None
 0.97A 5nnwD-2xsgA:
undetectable		 5nnwD-2xsgA:
7.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NO9_D_95ZD302_1
(25 KDA PROTEIN
ELICITOR)		 2xsg CCMAN5
(Cellulosimicrobi
um
cellulans) 		4 / 7 ASP A 662
GLY A  69
ASP A 355
ASP A 660
 CA  A1772 (-3.0A)
None
B3P  A1773 (-2.8A)
None
 0.86A 5no9D-2xsgA:
undetectable		 5no9D-2xsgA:
7.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UC1_B_486B801_2
(GLUCOCORTICOID
RECEPTOR)		 3wvj BETA-GLUCANASE
(Ruminiclostridiu
m
thermocellum) 		5 / 12 ASN A 213
LEU A 214
GLY A  93
VAL A  69
MET A  76
 B3P  A 302 (-3.6A)
None
None
None
None
 1.11A 5uc1B-3wvjA:
undetectable		 5uc1B-3wvjA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X7F_A_SAMA301_0
(PUTATIVE
O-METHYLTRANSFERASE
RV1220C)		 4d4z DEOXYHYPUSINE
HYDROXYLASE
(Homo
sapiens) 		5 / 12 GLY A  96
GLY A  63
VAL A 147
GLN A  83
ALA A  91
 None
None
None
B3P  A 306 (-3.8A)
None
 1.24A 5x7fA-4d4zA:
undetectable		 5x7fA-4d4zA:
26.10
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.
6B58_A_ACTA603_0
(FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT)		 5k94 MALTOSE-BINDING
PERIPLASMIC
PROTEIN,PROTEIN
TRANSLOCASE SUBUNIT
SECA,MALTOSE-BINDING
PERIPLASMIC PROTEIN
(Escherichia
coli) 		3 / 3 TYR A 155
ASN A1227
LEU A 113
 B3P  A1401 ( 4.1A)
None
None
 0.79A 6b58A-5k94A:
undetectable		 6b58A-5k94A:
22.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6FHW_A_ACRA801_1
(GLUCOAMYLASE P)		 6fhv GLUCOAMYLASE
(Penicillium
oxalicum) 		12 / 12 ALA A  66
TYR A  75
TRP A  79
ARG A  81
ASP A  82
TRP A 154
GLY A 155
GLU A 214
ARG A 341
TYR A 347
TRP A 353
TRP A 453
 B3P  A 652 ( 3.9A)
B3P  A 652 (-4.1A)
B3P  A 652 ( 4.1A)
B3P  A 652 (-4.0A)
B3P  A 652 (-2.8A)
B3P  A 652 (-4.3A)
None
B3P  A 652 (-3.4A)
B3P  A 652 (-2.8A)
B3P  A 652 ( 3.8A)
None
None
 0.44A 6fhwA-6fhvA:
59.3		 6fhwA-6fhvA:
35.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6FHW_A_ACRA801_2
(GLUCOAMYLASE P)		 6fhv GLUCOAMYLASE
(Penicillium
oxalicum) 		3 / 3 TRP A 212
GLU A 213
GLU A 436
 None
B3P  A 652 (-3.7A)
B3P  A 652 ( 4.6A)
 0.26A 6fhwA-6fhvA:
59.3		 6fhwA-6fhvA:
35.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6FHW_A_ACRA801_2
(GLUCOAMYLASE P)		 6fhv GLUCOAMYLASE
(Penicillium
oxalicum) 		3 / 3 TRP A 453
GLU A 436
GLU A 213
 None
B3P  A 652 ( 4.6A)
B3P  A 652 (-3.7A)
 0.87A 6fhwA-6fhvA:
59.3		 6fhwA-6fhvA:
35.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6FHW_B_ACRB801_1
(GLUCOAMYLASE P)		 6fhv GLUCOAMYLASE
(Penicillium
oxalicum) 		12 / 12 ALA A  66
TYR A  75
TRP A  79
ARG A  81
ASP A  82
TRP A 154
GLY A 155
GLU A 214
ARG A 341
TYR A 347
TRP A 353
TRP A 453
 B3P  A 652 ( 3.9A)
B3P  A 652 (-4.1A)
B3P  A 652 ( 4.1A)
B3P  A 652 (-4.0A)
B3P  A 652 (-2.8A)
B3P  A 652 (-4.3A)
None
B3P  A 652 (-3.4A)
B3P  A 652 (-2.8A)
B3P  A 652 ( 3.8A)
None
None
 0.44A 6fhwB-6fhvA:
59.7		 6fhwB-6fhvA:
35.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6FHW_B_ACRB801_2
(GLUCOAMYLASE P)		 6fhv GLUCOAMYLASE
(Penicillium
oxalicum) 		4 / 4 TRP A 212
GLU A 213
GLU A 436
LEU A 451
 None
B3P  A 652 (-3.7A)
B3P  A 652 ( 4.6A)
None
 0.34A 6fhwB-6fhvA:
59.7		 6fhwB-6fhvA:
35.53