SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'BTB'


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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1AGM_A_ACRA495_1
(GLUCOAMYLASE-471)		 2vn7 GLUCOAMYLASE
(Trichoderma
reesei) 		12 / 12 ALA A  38
TYR A  47
TRP A  51
ARG A  53
ASP A  54
TRP A 120
GLY A 121
GLU A 180
ARG A 309
TYR A 315
TRP A 321
GLU A 404
 BTB  A 620 ( 3.8A)
BTB  A 620 (-3.9A)
BTB  A 620 (-3.8A)
BTB  A 620 (-3.7A)
BTB  A 620 (-2.8A)
None
None
None
BTB  A 620 (-3.6A)
BTB  A 620 ( 4.9A)
None
BTB  A 620 (-4.0A)
 0.27A 1agmA-2vn7A:
62.4		 1agmA-2vn7A:
47.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1AGM_A_ACRA495_2
(GLUCOAMYLASE-471)		 2vn7 GLUCOAMYLASE
(Trichoderma
reesei) 		4 / 4 TRP A 178
GLU A 179
LEU A 419
TRP A 421
 None
BTB  A 620 (-3.6A)
None
None
 0.37A 1agmA-2vn7A:
62.4		 1agmA-2vn7A:
47.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1AGM_A_ACRA496_1
(GLUCOAMYLASE-471)		 2vn7 GLUCOAMYLASE
(Trichoderma
reesei) 		12 / 12 ALA A  38
TYR A  47
TRP A  51
ARG A  53
ASP A  54
TRP A 120
GLY A 121
GLU A 180
ARG A 309
TYR A 315
TRP A 321
GLU A 404
 BTB  A 620 ( 3.8A)
BTB  A 620 (-3.9A)
BTB  A 620 (-3.8A)
BTB  A 620 (-3.7A)
BTB  A 620 (-2.8A)
None
None
None
BTB  A 620 (-3.6A)
BTB  A 620 ( 4.9A)
None
BTB  A 620 (-4.0A)
 0.27A 1agmA-2vn7A:
62.4		 1agmA-2vn7A:
47.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1AGM_A_ACRA496_2
(GLUCOAMYLASE-471)		 2vn7 GLUCOAMYLASE
(Trichoderma
reesei) 		4 / 5 TRP A 178
GLU A 179
LEU A 419
TRP A 421
 None
BTB  A 620 (-3.6A)
None
None
 0.37A 1agmA-2vn7A:
62.4		 1agmA-2vn7A:
47.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1D4F_C_ADNC603_2
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		 3m07 PUTATIVE ALPHA
AMYLASE
(Salmonella
enterica) 		4 / 5 THR A 294
GLU A 296
HIS A 392
LEU A 428
 None
MG  A 597 (-3.9A)
BTB  A 605 (-4.1A)
None
 1.31A 1d4fC-3m07A:
undetectable		 1d4fC-3m07A:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DED_B_QPSB1501_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 3m07 PUTATIVE ALPHA
AMYLASE
(Salmonella
enterica) 		6 / 12 TYR A 163
ARG A 259
ASP A 261
ALA A 262
HIS A 392
ASP A 393
 BTB  A 605 (-3.6A)
None
BTB  A 605 (-2.9A)
BTB  A 605 (-3.6A)
BTB  A 605 (-4.1A)
BTB  A 605 (-4.1A)
 0.83A 1dedB-3m07A:
30.5		 1dedB-3m07A:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DY4_A_SNPA437_1
(EXOGLUCANASE 1)		 5o5d GLUCANASE
(Trichoderma
atroviride) 		12 / 12 ALA A 143
TYR A 145
TYR A 171
ASP A 173
SER A 174
GLN A 175
GLU A 212
ASP A 214
GLU A 217
THR A 246
ARG A 251
ASP A 369
 BTB  A 604 (-3.5A)
BTB  A 604 (-3.8A)
None
BTB  A 604 (-3.7A)
BTB  A 604 (-3.4A)
BTB  A 604 (-3.8A)
BTB  A 604 (-2.7A)
BTB  A 604 ( 3.4A)
BTB  A 604 ( 3.0A)
None
None
None
 0.52A 1dy4A-5o5dA:
68.9		 1dy4A-5o5dA:
13.13
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.
1DY4_A_SNPA437_2
(EXOGLUCANASE 1)		 5o5d GLUCANASE
(Trichoderma
atroviride) 		4 / 5 HIS A 228
TRP A 367
ALA A 372
TRP A 376
 GOL  A 608 (-4.0A)
GOL  A 607 ( 3.5A)
None
BTB  A 604 (-4.9A)
 0.35A 1dy4A-5o5dA:
68.9		 1dy4A-5o5dA:
13.13
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.
1ESW_A_ACRA651_1
(AMYLOMALTASE)		 3m07 PUTATIVE ALPHA
AMYLASE
(Salmonella
enterica) 		5 / 12 TYR A 163
TRP A 227
GLU A 296
HIS A 392
TRP A 161
 BTB  A 605 (-3.6A)
BTB  A 605 (-3.1A)
MG  A 597 (-3.9A)
BTB  A 605 (-4.1A)
None
 1.15A 1eswA-3m07A:
18.8		 1eswA-3m07A:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FDS_A_ESTA350_1
(17-BETA-HYDROXYSTERO
ID-DEHYDROGENASE)		 4wqm TOLUENE-4-MONOOXYGEN
ASE ELECTRON
TRANSFER COMPONENT
(Pseudomonas
mendocina) 		5 / 12 TYR A  34
GLY A 187
PRO A 188
SER A 131
PHE A 136
 None
None
None
BTB  A 406 (-3.6A)
None
 1.43A 1fdsA-4wqmA:
2.8		 1fdsA-4wqmA:
21.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1GAH_A_ACRA497_1
(GLUCOAMYLASE-471)		 2vn7 GLUCOAMYLASE
(Trichoderma
reesei) 		11 / 12 TYR A  47
TRP A  51
ARG A  53
ASP A  54
TRP A 120
GLY A 121
GLU A 179
GLU A 180
TYR A 315
TRP A 321
GLU A 404
 BTB  A 620 (-3.9A)
BTB  A 620 (-3.8A)
BTB  A 620 (-3.7A)
BTB  A 620 (-2.8A)
None
None
BTB  A 620 (-3.6A)
None
BTB  A 620 ( 4.9A)
None
BTB  A 620 (-4.0A)
 0.29A 1gahA-2vn7A:
62.4		 1gahA-2vn7A:
47.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1GAH_A_ACRA497_2
(GLUCOAMYLASE-471)		 2vn7 GLUCOAMYLASE
(Trichoderma
reesei) 		5 / 6 ALA A  38
TRP A 178
ARG A 309
LEU A 419
TRP A 421
 BTB  A 620 ( 3.8A)
None
BTB  A 620 (-3.6A)
None
None
 0.38A 1gahA-2vn7A:
62.4		 1gahA-2vn7A:
47.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GMK_C_DVAC8_0
(GRAMICIDIN A)		 5u22 N2152
(Neocallimastix
frontalis) 		3 / 4 VAL A 158
TRP A 160
TRP A 118
 None
None
BTB  A 501 (-3.6A)
 1.34A 1gmkC-5u22A:
undetectable
1gmkD-5u22A:
undetectable		 1gmkC-5u22A:
4.12
1gmkD-5u22A:
4.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTN_E_TRPE81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 4dun PUTATIVE PHENAZINE
BIOSYNTHESIS
PHZC/PHZF PROTEIN
(Clostridioides
difficile) 		4 / 6 THR A 200
SER A 186
GLY A 172
ILE A 173
 BTB  A 302 ( 3.8A)
None
None
None
 0.86A 1gtnD-4dunA:
undetectable
1gtnE-4dunA:
undetectable		 1gtnD-4dunA:
14.71
1gtnE-4dunA:
14.71
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.
1KF6_N_ACTN803_0
(FUMARATE REDUCTASE
FLAVOPROTEIN
FUMARATE REDUCTASE
IRON-SULFUR PROTEIN)		 2vn7 GLUCOAMYLASE
(Trichoderma
reesei) 		4 / 6 ARG A 309
GLY A 318
ASP A 313
TYR A 293
 BTB  A 620 (-3.6A)
None
None
None
 1.29A 1kf6M-2vn7A:
undetectable
1kf6N-2vn7A:
undetectable		 1kf6M-2vn7A:
21.94
1kf6N-2vn7A:
17.09
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.
1LF9_A_ACRA700_1
(GLUCOAMYLASE)		 2vn7 GLUCOAMYLASE
(Trichoderma
reesei) 		9 / 12 ALA A  38
TYR A  47
TRP A  51
ARG A  53
ASP A  54
GLU A 180
ARG A 309
TYR A 315
TRP A 421
 BTB  A 620 ( 3.8A)
BTB  A 620 (-3.9A)
BTB  A 620 (-3.8A)
BTB  A 620 (-3.7A)
BTB  A 620 (-2.8A)
None
BTB  A 620 (-3.6A)
BTB  A 620 ( 4.9A)
None
 0.44A 1lf9A-2vn7A:
6.9		 1lf9A-2vn7A:
22.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LF9_A_ACRA700_1
(GLUCOAMYLASE)		 2vn7 GLUCOAMYLASE
(Trichoderma
reesei) 		5 / 12 ALA A  38
TYR A  47
TRP A 120
GLU A 180
TYR A 315
 BTB  A 620 ( 3.8A)
BTB  A 620 (-3.9A)
None
None
BTB  A 620 ( 4.9A)
 0.99A 1lf9A-2vn7A:
6.9		 1lf9A-2vn7A:
22.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LF9_A_ACRA700_2
(GLUCOAMYLASE)		 2vn7 GLUCOAMYLASE
(Trichoderma
reesei) 		4 / 4 TRP A 178
GLU A 179
TRP A 321
LEU A 419
 None
BTB  A 620 (-3.6A)
None
None
 0.27A 1lf9A-2vn7A:
6.9		 1lf9A-2vn7A:
22.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LF9_B_ACRB701_1
(GLUCOAMYLASE)		 2vn7 GLUCOAMYLASE
(Trichoderma
reesei) 		9 / 12 ALA A  38
TYR A  47
TRP A  51
ARG A  53
ASP A  54
GLU A 180
ARG A 309
TYR A 315
TRP A 321
 BTB  A 620 ( 3.8A)
BTB  A 620 (-3.9A)
BTB  A 620 (-3.8A)
BTB  A 620 (-3.7A)
BTB  A 620 (-2.8A)
None
BTB  A 620 (-3.6A)
BTB  A 620 ( 4.9A)
None
 0.48A 1lf9B-2vn7A:
6.8		 1lf9B-2vn7A:
22.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LF9_B_ACRB701_1
(GLUCOAMYLASE)		 2vn7 GLUCOAMYLASE
(Trichoderma
reesei) 		6 / 12 ALA A  38
TYR A  47
TRP A 120
GLU A 180
TYR A 315
TRP A 321
 BTB  A 620 ( 3.8A)
BTB  A 620 (-3.9A)
None
None
BTB  A 620 ( 4.9A)
None
 1.01A 1lf9B-2vn7A:
6.8		 1lf9B-2vn7A:
22.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LF9_B_ACRB701_1
(GLUCOAMYLASE)		 2vn7 GLUCOAMYLASE
(Trichoderma
reesei) 		5 / 12 GLN A 124
TRP A 120
GLU A 180
TYR A 315
TRP A 321
 None
None
None
BTB  A 620 ( 4.9A)
None
 1.31A 1lf9B-2vn7A:
6.8		 1lf9B-2vn7A:
22.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LF9_B_ACRB701_1
(GLUCOAMYLASE)		 2vn7 GLUCOAMYLASE
(Trichoderma
reesei) 		6 / 12 TRP A  51
GLN A 124
GLU A 180
ARG A 309
TYR A 315
TRP A 321
 BTB  A 620 (-3.8A)
None
None
BTB  A 620 (-3.6A)
BTB  A 620 ( 4.9A)
None
 1.44A 1lf9B-2vn7A:
6.8		 1lf9B-2vn7A:
22.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LF9_B_ACRB701_2
(GLUCOAMYLASE)		 2vn7 GLUCOAMYLASE
(Trichoderma
reesei) 		4 / 4 TRP A 178
GLU A 179
LEU A 419
TRP A 421
 None
BTB  A 620 (-3.6A)
None
None
 0.45A 1lf9B-2vn7A:
6.8		 1lf9B-2vn7A:
22.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LQT_B_ACTB1873_0
(FPRA)		 5do8 LMO0184 PROTEIN
(Listeria
monocytogenes) 		3 / 3 ASP B 328
ASP B 384
LYS B 292
 BGC  B 601 ( 2.8A)
None
BTB  B 603 (-2.7A)
 1.11A 1lqtB-5do8B:
undetectable		 1lqtB-5do8B:
20.32
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.
1LQU_B_ACTB1430_0
(FPRA)		 5do8 LMO0184 PROTEIN
(Listeria
monocytogenes) 		3 / 3 ASP B 328
ASP B 384
LYS B 292
 BGC  B 601 ( 2.8A)
None
BTB  B 603 (-2.7A)
 1.07A 1lquB-5do8B:
undetectable		 1lquB-5do8B:
20.32
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.
1NBH_A_SAMA293_0
(GLYCINE
N-METHYLTRANSFERASE)		 4zg8 ENDOGLUCANASE
(Perinereis
brevicirris) 		5 / 12 TRP A 376
GLY A 133
ALA A 365
SER A 366
HIS A 361
 None
None
None
None
BTB  A 505 (-4.4A)
 1.04A 1nbhA-4zg8A:
undetectable		 1nbhA-4zg8A:
22.94
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.
1NBH_D_SAMD3293_0
(GLYCINE
N-METHYLTRANSFERASE)		 4zg8 ENDOGLUCANASE
(Perinereis
brevicirris) 		5 / 12 TRP A 376
GLY A 133
ALA A 365
SER A 366
HIS A 361
 None
None
None
None
BTB  A 505 (-4.4A)
 1.04A 1nbhD-4zg8A:
undetectable		 1nbhD-4zg8A:
22.94
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.
1NBI_C_SAMC2293_0
(GLYCINE
N-METHYLTRANSFERASE)		 4zg8 ENDOGLUCANASE
(Perinereis
brevicirris) 		5 / 12 TRP A 376
GLY A 133
ALA A 365
SER A 366
HIS A 361
 None
None
None
None
BTB  A 505 (-4.4A)
 1.24A 1nbiC-4zg8A:
undetectable		 1nbiC-4zg8A:
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.
1NBI_D_SAMD3293_0
(GLYCINE
N-METHYLTRANSFERASE)		 4zg8 ENDOGLUCANASE
(Perinereis
brevicirris) 		5 / 12 TRP A 376
GLY A 133
ALA A 365
SER A 366
HIS A 361
 None
None
None
None
BTB  A 505 (-4.4A)
 1.22A 1nbiD-4zg8A:
undetectable		 1nbiD-4zg8A:
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.
1ONI_E_BEZE509_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 1vcl HEMOLYTIC LECTIN
CEL-III
(Cucumaria
echinata) 		4 / 7 ILE A 403
PRO A 417
PHE A 336
ALA A 291
 BTB  A1301 ( 4.9A)
None
None
None
 1.16A 1oniD-1vclA:
undetectable
1oniE-1vclA:
undetectable		 1oniD-1vclA:
18.44
1oniE-1vclA:
18.44
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.
1ONI_H_BEZH515_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 1vcl HEMOLYTIC LECTIN
CEL-III
(Cucumaria
echinata) 		4 / 6 PHE A 336
ALA A 291
ILE A 403
PRO A 417
 None
None
BTB  A1301 ( 4.9A)
None
 1.20A 1oniH-1vclA:
undetectable
1oniI-1vclA:
undetectable		 1oniH-1vclA:
18.44
1oniI-1vclA:
18.44
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.
1PWY_E_AC2E290_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 5u22 N2152
(Neocallimastix
frontalis) 		5 / 10 GLY A 298
PHE A 290
GLY A 264
THR A 287
HIS A 260
 None
EDO  A 502 (-4.3A)
None
BTB  A 501 (-4.1A)
EDO  A 502 (-3.8A)
 1.24A 1pwyE-5u22A:
undetectable		 1pwyE-5u22A:
18.46
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.
1R15_C_NCAC339_0
(ADP-RIBOSYL CYCLASE)		 5u22 N2152
(Neocallimastix
frontalis) 		3 / 3 GLU A 155
ASN A 154
TRP A 118
 BTB  A 501 (-2.8A)
BTB  A 501 (-3.4A)
BTB  A 501 (-3.6A)
 1.10A 1r15C-5u22A:
undetectable		 1r15C-5u22A:
19.41
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.
1R15_D_NCAD349_0
(ADP-RIBOSYL CYCLASE)		 5o5d GLUCANASE
(Trichoderma
atroviride) 		3 / 3 GLU A 217
ASN A 141
TRP A 376
 BTB  A 604 ( 3.0A)
BTB  A 604 (-3.7A)
BTB  A 604 (-4.9A)
 1.28A 1r15D-5o5dA:
undetectable		 1r15D-5o5dA:
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.
1R15_D_NCAD349_0
(ADP-RIBOSYL CYCLASE)		 5u22 N2152
(Neocallimastix
frontalis) 		3 / 3 GLU A 155
ASN A 154
TRP A 118
 BTB  A 501 (-2.8A)
BTB  A 501 (-3.4A)
BTB  A 501 (-3.6A)
 1.06A 1r15D-5u22A:
undetectable		 1r15D-5u22A:
19.41
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.
1R15_E_NCAE359_0
(ADP-RIBOSYL CYCLASE)		 5o5d GLUCANASE
(Trichoderma
atroviride) 		3 / 3 GLU A 217
ASN A 141
TRP A 376
 BTB  A 604 ( 3.0A)
BTB  A 604 (-3.7A)
BTB  A 604 (-4.9A)
 1.26A 1r15E-5o5dA:
undetectable		 1r15E-5o5dA:
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.
1R15_E_NCAE359_0
(ADP-RIBOSYL CYCLASE)		 5u22 N2152
(Neocallimastix
frontalis) 		3 / 3 GLU A 155
ASN A 154
TRP A 118
 BTB  A 501 (-2.8A)
BTB  A 501 (-3.4A)
BTB  A 501 (-3.6A)
 1.07A 1r15E-5u22A:
undetectable		 1r15E-5u22A:
19.41
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.
1R15_F_NCAF369_0
(ADP-RIBOSYL CYCLASE)		 5o5d GLUCANASE
(Trichoderma
atroviride) 		3 / 3 GLU A 217
ASN A 141
TRP A 376
 BTB  A 604 ( 3.0A)
BTB  A 604 (-3.7A)
BTB  A 604 (-4.9A)
 1.27A 1r15F-5o5dA:
undetectable		 1r15F-5o5dA:
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.
1R15_F_NCAF369_0
(ADP-RIBOSYL CYCLASE)		 5u22 N2152
(Neocallimastix
frontalis) 		3 / 3 GLU A 155
ASN A 154
TRP A 118
 BTB  A 501 (-2.8A)
BTB  A 501 (-3.4A)
BTB  A 501 (-3.6A)
 1.03A 1r15F-5u22A:
undetectable		 1r15F-5u22A:
19.41
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.
1S3Z_B_RIOB501_0
(AMINOGLYCOSIDE
6'-N-ACETYLTRANSFERA
SE)		 4zg8 ENDOGLUCANASE
(Perinereis
brevicirris) 		4 / 8 VAL A  66
ARG A 307
GLU A 414
ASP A  64
 None
None
BTB  A 505 (-3.2A)
None
 1.04A 1s3zA-4zg8A:
undetectable
1s3zB-4zg8A:
undetectable		 1s3zA-4zg8A:
16.90
1s3zB-4zg8A:
16.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S8F_B_BEZB1503_0
(RAS-RELATED PROTEIN
RAB-9A)		 3gr8 NADPH DEHYDROGENASE
(Geobacillus
kaustophilus) 		4 / 6 GLU A 199
LEU A 197
ARG A 195
PHE A 174
 BTB  A 344 (-4.0A)
None
SO4  A 342 ( 3.3A)
None
 1.14A 1s8fB-3gr8A:
2.1		 1s8fB-3gr8A:
18.55
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.
1ULV_A_ACRA3000_1
(GLUCODEXTRANASE)		 2vn7 GLUCOAMYLASE
(Trichoderma
reesei) 		9 / 12 ALA A  38
TYR A  47
TRP A  51
ARG A  53
ASP A  54
GLU A 180
ARG A 309
TYR A 315
TRP A 321
 BTB  A 620 ( 3.8A)
BTB  A 620 (-3.9A)
BTB  A 620 (-3.8A)
BTB  A 620 (-3.7A)
BTB  A 620 (-2.8A)
None
BTB  A 620 (-3.6A)
BTB  A 620 ( 4.9A)
None
 0.57A 1ulvA-2vn7A:
30.6		 1ulvA-2vn7A:
22.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ULV_A_ACRA3000_2
(GLUCODEXTRANASE)		 2vn7 GLUCOAMYLASE
(Trichoderma
reesei) 		4 / 5 GLN A 124
GLU A 179
LEU A 323
TRP A 321
 None
BTB  A 620 (-3.6A)
None
None
 1.47A 1ulvA-2vn7A:
30.6		 1ulvA-2vn7A:
22.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ULV_A_ACRA3000_2
(GLUCODEXTRANASE)		 2vn7 GLUCOAMYLASE
(Trichoderma
reesei) 		4 / 5 TRP A 178
GLU A 179
LEU A 419
TRP A 421
 None
BTB  A 620 (-3.6A)
None
None
 0.40A 1ulvA-2vn7A:
30.6		 1ulvA-2vn7A:
22.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V3Q_E_2DIE290_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 5u22 N2152
(Neocallimastix
frontalis) 		5 / 10 GLY A 298
PHE A 290
GLY A 264
THR A 287
HIS A 260
 None
EDO  A 502 (-4.3A)
None
BTB  A 501 (-4.1A)
EDO  A 502 (-3.8A)
 1.33A 1v3qE-5u22A:
undetectable		 1v3qE-5u22A:
18.46
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.
1WRK_A_TFPA204_1
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		 5vjy DUTP PYROPHOSPHATASE
(Naegleria
fowleri) 		5 / 9 PHE A 113
VAL A  82
MET A   7
SER A   2
LEU A  90
 None
BTB  A 201 ( 4.3A)
None
None
None
 1.40A 1wrkA-5vjyA:
undetectable
1wrkB-5vjyA:
undetectable		 1wrkA-5vjyA:
16.77
1wrkB-5vjyA:
16.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YAJ_J_BEZJ5041_0
(CES1 PROTEIN)		 3icv LIPASE B
(Moesziomyces
antarcticus) 		4 / 4 GLY A  73
SER A 139
ILE A 223
HIS A 258
 None
None
BTB  A 403 ( 4.7A)
BTB  A 403 ( 4.9A)
 1.12A 1yajJ-3icvA:
11.6		 1yajJ-3icvA:
21.00
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.
2A3A_A_TEPA1435_1
(CHITINASE)		 4mym GLYOXALASE/BLEOMYCIN
RESISTANCE
PROTEIN/DIOXYGENASE
(Nocardioides
sp.
JS614) 		3 / 3 TRP A 112
GLU A 128
TYR A 118
 BTB  A 201 (-3.7A)
BTB  A 201 (-3.0A)
None
 1.19A 2a3aA-4mymA:
undetectable		 2a3aA-4mymA:
18.57
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.
2B0Q_A_NMYA305_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E)		 4as3 PHOSPHORYLCHOLINE
PHOSPHATASE
(Pseudomonas
aeruginosa) 		5 / 12 GLU A  42
GLU A  43
ASP A  31
ASP A 265
ASP A  33
 BTB  A1330 ( 4.6A)
BTB  A1332 ( 3.4A)
MG  A1328 ( 2.6A)
BTB  A1331 (-4.0A)
BTB  A1330 (-4.5A)
 1.34A 2b0qA-4as3A:
1.1		 2b0qA-4as3A:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F6D_A_ACRA995_1
(GLUCOAMYLASE GLU1)		 2vn7 GLUCOAMYLASE
(Trichoderma
reesei) 		12 / 12 ALA A  38
TYR A  47
TRP A  51
ARG A  53
ASP A  54
TRP A 120
GLY A 121
GLU A 180
ARG A 309
TYR A 315
TRP A 321
GLU A 404
 BTB  A 620 ( 3.8A)
BTB  A 620 (-3.9A)
BTB  A 620 (-3.8A)
BTB  A 620 (-3.7A)
BTB  A 620 (-2.8A)
None
None
None
BTB  A 620 (-3.6A)
BTB  A 620 ( 4.9A)
None
BTB  A 620 (-4.0A)
 0.35A 2f6dA-2vn7A:
45.4		 2f6dA-2vn7A:
29.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F6D_A_ACRA995_2
(GLUCOAMYLASE GLU1)		 2vn7 GLUCOAMYLASE
(Trichoderma
reesei) 		4 / 4 TRP A 178
GLU A 179
LEU A 419
TRP A 421
 None
BTB  A 620 (-3.6A)
None
None
 0.29A 2f6dA-2vn7A:
45.4		 2f6dA-2vn7A:
29.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NYR_B_SVRB401_2
(NAD-DEPENDENT
DEACETYLASE
SIRTUIN-5)		 2yhg CELLULOSE-BINDING
PROTEIN
(Saccharophagus
degradans) 		4 / 6 ARG A 814
ASN A 749
ASN A 917
LEU A 868
 BTB  A1945 (-3.9A)
BTB  A1945 (-3.7A)
None
None
 1.25A 2nyrA-2yhgA:
4.1		 2nyrA-2yhgA:
19.27
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.
2OIP_A_MTXA605_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 2yhg CELLULOSE-BINDING
PROTEIN
(Saccharophagus
degradans) 		5 / 12 VAL A 548
LEU A 745
ASP A 810
PHE A 811
LEU A 716
 None
None
BTB  A1945 (-2.7A)
None
None
 0.81A 2oipA-2yhgA:
undetectable		 2oipA-2yhgA:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OIP_C_MTXC613_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 2yhg CELLULOSE-BINDING
PROTEIN
(Saccharophagus
degradans) 		5 / 12 VAL A 548
LEU A 745
ASP A 810
PHE A 811
LEU A 716
 None
None
BTB  A1945 (-2.7A)
None
None
 0.88A 2oipC-2yhgA:
undetectable		 2oipC-2yhgA:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V3D_A_NBVA1503_1
(GLUCOSYLCERAMIDASE)		 3ndy ENDOGLUCANASE D
(Clostridium
cellulovorans) 		5 / 12 ASN A 151
GLU A 152
HIS A 227
GLU A 275
TRP A 308
 BTB  A   1 ( 4.6A)
BTB  A   1 ( 4.0A)
None
BTB  A   1 (-3.7A)
BTB  A   1 (-3.7A)
 0.62A 2v3dA-3ndyA:
8.1		 2v3dA-3ndyA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V7B_A_BEZA1529_0
(BENZOATE-COENZYME A
LIGASE)		 5uf2 RIBOSE-5-PHOSPHATE
ISOMERASE A
(Neisseria
gonorrhoeae) 		5 / 9 PHE A 114
ALA A 108
GLY A  83
GLY A  28
ILE A  27
 None
BTB  A 303 (-3.9A)
EDO  A 306 (-3.2A)
None
None
 1.15A 2v7bA-5uf2A:
undetectable		 2v7bA-5uf2A:
18.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V7B_B_BEZB1529_0
(BENZOATE-COENZYME A
LIGASE)		 5uf2 RIBOSE-5-PHOSPHATE
ISOMERASE A
(Neisseria
gonorrhoeae) 		5 / 9 PHE A 114
ALA A 108
GLY A  83
GLY A  28
ILE A  27
 None
BTB  A 303 (-3.9A)
EDO  A 306 (-3.2A)
None
None
 1.13A 2v7bB-5uf2A:
2.3		 2v7bB-5uf2A:
18.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VMY_A_GLYA502_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 3ib7 ICC PROTEIN
(Mycobacterium
tuberculosis) 		4 / 7 HIS A  98
LYS A  67
TYR A  32
TYR A 229
 ACT  A 666 ( 3.9A)
BTB  A 777 (-4.7A)
None
None
 1.49A 2vmyA-3ib7A:
undetectable
2vmyB-3ib7A:
undetectable		 2vmyA-3ib7A:
24.02
2vmyB-3ib7A:
24.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X8O_A_OINA1317_1
(CHOLINE-BINDING
PROTEIN F)		 2bib TEICHOIC ACID
PHOSPHORYLCHOLINE
ESTERASE/ CHOLINE
BINDING PROTEIN
(Streptococcus
pneumoniae) 		4 / 4 TRP A 378
TRP A 385
TYR A 406
MET A 414
 BTB  A1546 (-3.8A)
BTB  A1546 (-4.0A)
BTB  A1546 (-4.6A)
BTB  A1546 (-3.6A)
 0.31A 2x8oA-2bibA:
7.7		 2x8oA-2bibA:
25.09
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.
2X8O_A_OINA1317_1
(CHOLINE-BINDING
PROTEIN F)		 2bib TEICHOIC ACID
PHOSPHORYLCHOLINE
ESTERASE/ CHOLINE
BINDING PROTEIN
(Streptococcus
pneumoniae) 		4 / 4 TRP A 398
TRP A 405
TYR A 426
MET A 434
 BTB  A1545 (-3.6A)
BTB  A1545 (-3.8A)
BTB  A1545 (-4.9A)
BTB  A1545 ( 3.9A)
 0.39A 2x8oA-2bibA:
7.7		 2x8oA-2bibA:
25.09
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.
2X8O_A_OINA1317_1
(CHOLINE-BINDING
PROTEIN F)		 2bib TEICHOIC ACID
PHOSPHORYLCHOLINE
ESTERASE/ CHOLINE
BINDING PROTEIN
(Streptococcus
pneumoniae) 		4 / 4 TRP A 418
TRP A 425
TYR A 446
MET A 454
 BTB  A1542 ( 3.8A)
BTB  A1542 (-3.5A)
BTB  A1542 (-4.5A)
BTB  A1542 (-3.1A)
 0.29A 2x8oA-2bibA:
7.7		 2x8oA-2bibA:
25.09
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.
2X8O_A_OINA1317_1
(CHOLINE-BINDING
PROTEIN F)		 2bib TEICHOIC ACID
PHOSPHORYLCHOLINE
ESTERASE/ CHOLINE
BINDING PROTEIN
(Streptococcus
pneumoniae) 		4 / 4 TRP A 438
TRP A 445
TYR A 466
MET A 474
 BTB  A1547 (-3.5A)
BTB  A1547 (-3.6A)
BTB  A1547 (-4.4A)
BTB  A1547 ( 4.3A)
 0.23A 2x8oA-2bibA:
7.7		 2x8oA-2bibA:
25.09
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.
2X8P_A_OINA1313_1
(CHOLINE-BINDING
PROTEIN F)		 2bib TEICHOIC ACID
PHOSPHORYLCHOLINE
ESTERASE/ CHOLINE
BINDING PROTEIN
(Streptococcus
pneumoniae) 		4 / 4 TRP A 378
LYS A 380
TRP A 385
TYR A 406
 BTB  A1546 (-3.8A)
None
BTB  A1546 (-4.0A)
BTB  A1546 (-4.6A)
 0.41A 2x8pA-2bibA:
15.0		 2x8pA-2bibA:
25.09
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.
2X8P_A_OINA1313_1
(CHOLINE-BINDING
PROTEIN F)		 2bib TEICHOIC ACID
PHOSPHORYLCHOLINE
ESTERASE/ CHOLINE
BINDING PROTEIN
(Streptococcus
pneumoniae) 		4 / 4 TRP A 438
LYS A 440
TRP A 445
TYR A 466
 BTB  A1547 (-3.5A)
None
BTB  A1547 (-3.6A)
BTB  A1547 (-4.4A)
 0.66A 2x8pA-2bibA:
15.0		 2x8pA-2bibA:
25.09
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.
2X8P_A_OINA1313_1
(CHOLINE-BINDING
PROTEIN F)		 2bib TEICHOIC ACID
PHOSPHORYLCHOLINE
ESTERASE/ CHOLINE
BINDING PROTEIN
(Streptococcus
pneumoniae) 		4 / 4 TRP A 478
LYS A 480
TRP A 485
TYR A 506
 BTB  A1548 (-3.6A)
None
BTB  A1548 ( 3.9A)
BTB  A1548 (-4.0A)
 0.23A 2x8pA-2bibA:
15.0		 2x8pA-2bibA:
25.09
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.
3AIC_A_ACRA5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3m07 PUTATIVE ALPHA
AMYLASE
(Salmonella
enterica) 		6 / 12 ARG A 259
ASP A 261
ALA A 262
GLU A 296
ASN A 321
HIS A 392
 None
BTB  A 605 (-2.9A)
BTB  A 605 (-3.6A)
MG  A 597 (-3.9A)
None
BTB  A 605 (-4.1A)
 1.00A 3aicA-3m07A:
4.2		 3aicA-3m07A:
20.55
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.
3AIC_B_ACRB5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3m07 PUTATIVE ALPHA
AMYLASE
(Salmonella
enterica) 		6 / 12 ARG A 259
ASP A 261
ALA A 262
GLU A 296
ASN A 321
HIS A 392
 None
BTB  A 605 (-2.9A)
BTB  A 605 (-3.6A)
MG  A 597 (-3.9A)
None
BTB  A 605 (-4.1A)
 1.03A 3aicB-3m07A:
5.3		 3aicB-3m07A:
20.55
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.
3AIC_C_ACRC5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3m07 PUTATIVE ALPHA
AMYLASE
(Salmonella
enterica) 		6 / 12 ARG A 259
ASP A 261
ALA A 262
ASN A 321
HIS A 392
TYR A 163
 None
BTB  A 605 (-2.9A)
BTB  A 605 (-3.6A)
None
BTB  A 605 (-4.1A)
BTB  A 605 (-3.6A)
 0.85A 3aicC-3m07A:
6.3		 3aicC-3m07A:
20.55
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.
3AIC_C_ACRC5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3m07 PUTATIVE ALPHA
AMYLASE
(Salmonella
enterica) 		6 / 12 ARG A 259
ASP A 261
ALA A 262
GLU A 296
ASN A 321
HIS A 392
 None
BTB  A 605 (-2.9A)
BTB  A 605 (-3.6A)
MG  A 597 (-3.9A)
None
BTB  A 605 (-4.1A)
 1.02A 3aicC-3m07A:
6.3		 3aicC-3m07A:
20.55
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.
3AIC_C_ACRC5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3m07 PUTATIVE ALPHA
AMYLASE
(Salmonella
enterica) 		6 / 12 ARG A 259
ASP A 261
ALA A 262
HIS A 392
ASP A 393
TYR A 163
 None
BTB  A 605 (-2.9A)
BTB  A 605 (-3.6A)
BTB  A 605 (-4.1A)
BTB  A 605 (-4.1A)
BTB  A 605 (-3.6A)
 0.78A 3aicC-3m07A:
6.3		 3aicC-3m07A:
20.55
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.
3AIC_D_ACRD5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3m07 PUTATIVE ALPHA
AMYLASE
(Salmonella
enterica) 		6 / 12 ARG A 259
ASP A 261
ALA A 262
GLU A 296
ASN A 321
HIS A 392
 None
BTB  A 605 (-2.9A)
BTB  A 605 (-3.6A)
MG  A 597 (-3.9A)
None
BTB  A 605 (-4.1A)
 0.98A 3aicD-3m07A:
3.2		 3aicD-3m07A:
20.55
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.
3AIC_D_ACRD5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3m07 PUTATIVE ALPHA
AMYLASE
(Salmonella
enterica) 		5 / 12 ARG A 259
ASP A 261
ALA A 262
HIS A 392
ASP A 393
 None
BTB  A 605 (-2.9A)
BTB  A 605 (-3.6A)
BTB  A 605 (-4.1A)
BTB  A 605 (-4.1A)
 0.84A 3aicD-3m07A:
3.2		 3aicD-3m07A:
20.55
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.
3AIC_E_ACRE5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3m07 PUTATIVE ALPHA
AMYLASE
(Salmonella
enterica) 		6 / 12 ARG A 259
ASP A 261
ALA A 262
GLU A 296
ASN A 321
HIS A 392
 None
BTB  A 605 (-2.9A)
BTB  A 605 (-3.6A)
MG  A 597 (-3.9A)
None
BTB  A 605 (-4.1A)
 0.99A 3aicE-3m07A:
6.2		 3aicE-3m07A:
20.55
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.
3AIC_E_ACRE5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3m07 PUTATIVE ALPHA
AMYLASE
(Salmonella
enterica) 		5 / 12 ARG A 259
ASP A 261
ALA A 262
HIS A 392
ASP A 393
 None
BTB  A 605 (-2.9A)
BTB  A 605 (-3.6A)
BTB  A 605 (-4.1A)
BTB  A 605 (-4.1A)
 0.85A 3aicE-3m07A:
6.2		 3aicE-3m07A:
20.55
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.
3AIC_F_ACRF5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3m07 PUTATIVE ALPHA
AMYLASE
(Salmonella
enterica) 		5 / 12 ARG A 259
ASP A 261
ALA A 262
GLU A 296
HIS A 392
 None
BTB  A 605 (-2.9A)
BTB  A 605 (-3.6A)
MG  A 597 (-3.9A)
BTB  A 605 (-4.1A)
 0.60A 3aicF-3m07A:
5.4		 3aicF-3m07A:
20.55
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.
3AIC_F_ACRF5044_2
(GLUCOSYLTRANSFERASE-
SI)		 4dun PUTATIVE PHENAZINE
BIOSYNTHESIS
PHZC/PHZF PROTEIN
(Clostridioides
difficile) 		3 / 3 LEU A 207
TRP A 170
TYR A 188
 None
None
BTB  A 302 (-4.4A)
 1.01A 3aicF-4dunA:
undetectable		 3aicF-4dunA:
15.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_G_ACRG5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3m07 PUTATIVE ALPHA
AMYLASE
(Salmonella
enterica) 		6 / 12 ARG A 259
ASP A 261
ALA A 262
GLU A 296
ASN A 321
HIS A 392
 None
BTB  A 605 (-2.9A)
BTB  A 605 (-3.6A)
MG  A 597 (-3.9A)
None
BTB  A 605 (-4.1A)
 1.00A 3aicG-3m07A:
6.2		 3aicG-3m07A:
20.55
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.
3AIC_H_ACRH5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3m07 PUTATIVE ALPHA
AMYLASE
(Salmonella
enterica) 		6 / 12 ARG A 259
ASP A 261
ALA A 262
GLU A 296
ASN A 321
HIS A 392
 None
BTB  A 605 (-2.9A)
BTB  A 605 (-3.6A)
MG  A 597 (-3.9A)
None
BTB  A 605 (-4.1A)
 1.00A 3aicH-3m07A:
4.1		 3aicH-3m07A:
20.55
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.
3HJ3_D_MTXD615_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 2yhg CELLULOSE-BINDING
PROTEIN
(Saccharophagus
degradans) 		5 / 12 VAL A 548
LEU A 745
ASP A 810
PHE A 811
LEU A 716
 None
None
BTB  A1945 (-2.7A)
None
None
 0.73A 3hj3D-2yhgA:
undetectable		 3hj3D-2yhgA:
21.33
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.
3HM1_B_J3ZB1_1
(ESTROGEN RECEPTOR)		 3ib7 ICC PROTEIN
(Mycobacterium
tuberculosis) 		5 / 11 LEU A 108
GLU A 111
LEU A 118
ARG A 120
GLY A  68
 None
None
MPD  A 779 ( 4.9A)
MPD  A 779 (-4.4A)
BTB  A 777 ( 4.6A)
 1.35A 3hm1B-3ib7A:
undetectable		 3hm1B-3ib7A:
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.
3K13_A_THHA642_0
(5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE)		 5o5d GLUCANASE
(Trichoderma
atroviride) 		5 / 12 GLY A 207
ASP A 173
VAL A 363
GLY A 170
SER A 184
 None
BTB  A 604 (-3.7A)
None
None
None
 1.05A 3k13A-5o5dA:
undetectable		 3k13A-5o5dA:
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.
3K13_B_THHB643_0
(5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE)		 5o5d GLUCANASE
(Trichoderma
atroviride) 		5 / 12 GLY A 207
ASP A 173
VAL A 363
GLY A 170
SER A 184
 None
BTB  A 604 (-3.7A)
None
None
None
 1.08A 3k13B-5o5dA:
undetectable		 3k13B-5o5dA:
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.
3K13_C_THHC643_0
(5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE)		 5o5d GLUCANASE
(Trichoderma
atroviride) 		5 / 12 GLY A 207
ASP A 173
VAL A 363
GLY A 170
SER A 184
 None
BTB  A 604 (-3.7A)
None
None
None
 1.07A 3k13C-5o5dA:
undetectable		 3k13C-5o5dA:
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.
3KL3_A_DHIA403_0
(GLUCURONOXYLANASE
XYNC)		 3li9 HYPOTHETICAL SENSORY
TRANSDUCTION
HISTIDINE KINASE
(Methanosarcina
mazei) 		4 / 4 GLY A 107
TYR A 105
GLY A 197
ASP A 183
 None
BTB  A   1 (-3.6A)
None
None
 1.13A 3kl3A-3li9A:
undetectable		 3kl3A-3li9A:
23.72
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.
3MTE_B_SAMB220_0
(16S RRNA METHYLASE)		 3uwd PHOSPHOGLYCERATE
KINASE
(Bacillus
anthracis) 		5 / 12 GLY A 257
ALA A 190
ALA A 191
LEU A 252
LEU A 215
 BTB  A 401 ( 4.9A)
None
None
None
None
 1.06A 3mteB-3uwdA:
2.2		 3mteB-3uwdA:
23.14
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.
3NMU_J_SAMJ228_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE
NOP5/NOP56 RELATED
PROTEIN)		 2vn7 GLUCOAMYLASE
(Trichoderma
reesei) 		6 / 11 GLU A 404
TYR A 322
GLY A 308
ILE A 307
ALA A 306
ASP A 313
 BTB  A 620 (-4.0A)
None
None
None
None
None
 1.29A 3nmuB-2vn7A:
2.4
3nmuJ-2vn7A:
undetectable		 3nmuB-2vn7A:
21.17
3nmuJ-2vn7A:
16.84
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.
3NXU_A_RITA600_1
(CYTOCHROME P450 3A4)		 4pq9 BETA-1,3-GLUCANASE
(Mycobacterium
marinum) 		5 / 12 LEU A 176
PHE A 122
ALA A 157
GLU A  56
GLY A 238
 None
None
None
BTB  A 303 ( 4.6A)
None
 1.08A 3nxuA-4pq9A:
undetectable		 3nxuA-4pq9A:
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.
3P2K_A_SAMA6735_0
(16S RRNA METHYLASE)		 3uwd PHOSPHOGLYCERATE
KINASE
(Bacillus
anthracis) 		5 / 12 GLY A 257
ALA A 190
ALA A 191
LEU A 252
LEU A 215
 BTB  A 401 ( 4.9A)
None
None
None
None
 1.05A 3p2kA-3uwdA:
2.4		 3p2kA-3uwdA:
22.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3P2K_D_SAMD6735_0
(16S RRNA METHYLASE)		 3uwd PHOSPHOGLYCERATE
KINASE
(Bacillus
anthracis) 		5 / 12 GLY A 257
ALA A 190
ALA A 191
LEU A 252
LEU A 215
 BTB  A 401 ( 4.9A)
None
None
None
None
 0.99A 3p2kD-3uwdA:
2.6		 3p2kD-3uwdA:
22.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PS9_A_SAMA670_0
(TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC)		 4yhs MONOSACCHARIDE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT2 FAMILY
(Bradyrhizobium
sp.
BTAi1) 		5 / 12 GLU A 100
GLY A  97
PHE A  64
ASP A  69
ASN A 148
 None
CL  A 402 ( 3.7A)
None
BTB  A 401 (-4.0A)
None
 1.39A 3ps9A-4yhsA:
2.6		 3ps9A-4yhsA:
18.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QL6_A_NIMA614_1
(LACTOPEROXIDASE)		 5do8 LMO0184 PROTEIN
(Listeria
monocytogenes) 		4 / 7 GLN B  14
HIS B 327
PHE B 280
PRO B 256
 None
BGC  B 601 (-3.9A)
BTB  B 603 (-4.0A)
BTB  B 603 (-4.6A)
 1.27A 3ql6A-5do8B:
undetectable		 3ql6A-5do8B:
20.57
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.
3R24_A_SAMA302_1
(2'-O-METHYL
TRANSFERASE)		 3sng NUCLEASE
(Solanum
lycopersicum) 		3 / 3 TYR A  98
ASP A 104
ASP A 110
 BTB  A 603 ( 4.8A)
None
None
 0.69A 3r24A-3sngA:
undetectable		 3r24A-3sngA:
22.38
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.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		 5o5d GLUCANASE
(Trichoderma
atroviride) 		4 / 8 ASP A 214
GLY A 260
GLU A 217
ARG A 251
 BTB  A 604 ( 3.4A)
None
BTB  A 604 ( 3.0A)
None
 1.00A 3s3nA-5o5dA:
undetectable		 3s3nA-5o5dA:
10.84
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.
3SM2_A_478A126_2
(GAG-PRO-POL
POLYPROTEIN)		 4o7p MALTOKINASE
(Mycobacterium
tuberculosis) 		5 / 11 ASP A 360
HIS A 324
VAL A 364
VAL A 328
TYR A 404
 None
BTB  A 501 (-4.4A)
None
None
None
 0.95A 3sm2B-4o7pA:
undetectable		 3sm2B-4o7pA:
15.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UZZ_B_ASDB501_1
(3-OXO-5-BETA-STEROID
4-DEHYDROGENASE)		 5o5d GLUCANASE
(Trichoderma
atroviride) 		4 / 8 TYR A 145
LEU A 377
MET A 374
TRP A 376
 BTB  A 604 (-3.8A)
None
None
BTB  A 604 (-4.9A)
 1.04A 3uzzB-5o5dA:
undetectable		 3uzzB-5o5dA:
14.47
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.
3W2T_B_LF7B801_1
(DIPEPTIDYL PEPTIDASE
4)		 3ndy ENDOGLUCANASE D
(Clostridium
cellulovorans) 		5 / 12 ARG A  63
GLU A 148
TYR A 229
ASN A 151
HIS A 107
 None
None
BTB  A   1 (-4.1A)
BTB  A   1 ( 4.6A)
BTB  A   1 (-4.1A)
 1.47A 3w2tB-3ndyA:
undetectable		 3w2tB-3ndyA:
18.95
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.
4BZ6_A_SHHA700_1
(HISTONE DEACETYLASE
8)		 3ib7 ICC PROTEIN
(Mycobacterium
tuberculosis) 		5 / 10 HIS A 140
HIS A  98
ASP A  66
HIS A  23
TYR A  32
 BTB  A 777 (-4.0A)
ACT  A 666 ( 3.9A)
None
FE  A 444 ( 3.4A)
None
 1.40A 4bz6A-3ib7A:
undetectable		 4bz6A-3ib7A:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_B_SHHB700_1
(HISTONE DEACETYLASE
8)		 3ib7 ICC PROTEIN
(Mycobacterium
tuberculosis) 		5 / 12 ASP A  21
HIS A 140
HIS A  98
ASP A  66
HIS A  23
 FE  A 444 (-3.1A)
BTB  A 777 (-4.0A)
ACT  A 666 ( 3.9A)
None
FE  A 444 ( 3.4A)
 1.32A 4bz6A-3ib7A:
undetectable
4bz6B-3ib7A:
undetectable		 4bz6A-3ib7A:
22.03
4bz6B-3ib7A:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_B_SHHB700_1
(HISTONE DEACETYLASE
8)		 3ib7 ICC PROTEIN
(Mycobacterium
tuberculosis) 		5 / 12 HIS A 140
HIS A  98
ASP A  66
HIS A  23
TYR A  32
 BTB  A 777 (-4.0A)
ACT  A 666 ( 3.9A)
None
FE  A 444 ( 3.4A)
None
 1.38A 4bz6A-3ib7A:
undetectable
4bz6B-3ib7A:
undetectable		 4bz6A-3ib7A:
22.03
4bz6B-3ib7A:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_D_SHHD700_1
(HISTONE DEACETYLASE
8)		 3ib7 ICC PROTEIN
(Mycobacterium
tuberculosis) 		5 / 10 HIS A 140
HIS A  98
ASP A  66
HIS A  23
TYR A  32
 BTB  A 777 (-4.0A)
ACT  A 666 ( 3.9A)
None
FE  A 444 ( 3.4A)
None
 1.39A 4bz6D-3ib7A:
2.2		 4bz6D-3ib7A:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C5L_C_UEGC300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 4wqm TOLUENE-4-MONOOXYGEN
ASE ELECTRON
TRANSFER COMPONENT
(Pseudomonas
mendocina) 		5 / 10 GLY A  62
ALA A  43
GLY A  42
CYH A  36
CYH A  44
 BTB  A 408 (-4.5A)
None
FES  A 401 (-3.9A)
FES  A 401 ( 2.3A)
FES  A 401 (-2.3A)
 1.11A 4c5lC-4wqmA:
4.8		 4c5lC-4wqmA:
22.92
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.
4FEU_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2vn7 GLUCOAMYLASE
(Trichoderma
reesei) 		4 / 7 ASP A 313
ASP A 176
GLU A 404
ASP A 249
 None
None
BTB  A 620 (-4.0A)
None
 1.15A 4feuB-2vn7A:
undetectable		 4feuB-2vn7A:
16.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEU_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2vn7 GLUCOAMYLASE
(Trichoderma
reesei) 		4 / 8 ASP A 313
ASP A 176
GLU A 404
ASP A 249
 None
None
BTB  A 620 (-4.0A)
None
 0.88A 4feuD-2vn7A:
undetectable		 4feuD-2vn7A:
16.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEU_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5fbb NUCLEASE S1
(Aspergillus
oryzae) 		4 / 8 ASP A 139
ASN A  23
GLU A 177
ASP A  65
 ZN  A 402 (-2.5A)
BTB  A1002 (-3.8A)
BTB  A1002 (-2.8A)
PO4  A 601 ( 2.7A)
 1.10A 4feuD-5fbbA:
undetectable		 4feuD-5fbbA:
20.81
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.
4FEV_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2vn7 GLUCOAMYLASE
(Trichoderma
reesei) 		4 / 7 ASP A 313
ASP A 176
GLU A 404
ASP A 249
 None
None
BTB  A 620 (-4.0A)
None
 0.92A 4fevB-2vn7A:
undetectable		 4fevB-2vn7A:
16.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEV_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5fbb NUCLEASE S1
(Aspergillus
oryzae) 		4 / 7 ASP A 139
ASN A  23
GLU A 177
ASP A  65
 ZN  A 402 (-2.5A)
BTB  A1002 (-3.8A)
BTB  A1002 (-2.8A)
PO4  A 601 ( 2.7A)
 1.09A 4fevB-5fbbA:
undetectable		 4fevB-5fbbA:
20.81
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.
4FEV_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2vn7 GLUCOAMYLASE
(Trichoderma
reesei) 		4 / 7 ASP A 313
ASP A 176
GLU A 404
ASP A 249
 None
None
BTB  A 620 (-4.0A)
None
 1.20A 4fevD-2vn7A:
undetectable		 4fevD-2vn7A:
16.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEV_F_KANF301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2vn7 GLUCOAMYLASE
(Trichoderma
reesei) 		4 / 7 ASP A 313
ASP A 176
GLU A 404
ASP A 249
 None
None
BTB  A 620 (-4.0A)
None
 1.21A 4fevF-2vn7A:
undetectable		 4fevF-2vn7A:
16.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEW_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2vn7 GLUCOAMYLASE
(Trichoderma
reesei) 		4 / 7 ASP A 313
ASP A 176
GLU A 404
ASP A 249
 None
None
BTB  A 620 (-4.0A)
None
 0.93A 4fewB-2vn7A:
undetectable		 4fewB-2vn7A:
16.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEW_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5fbb NUCLEASE S1
(Aspergillus
oryzae) 		4 / 7 ASP A 139
ASN A  23
GLU A 177
ASP A  65
 ZN  A 402 (-2.5A)
BTB  A1002 (-3.8A)
BTB  A1002 (-2.8A)
PO4  A 601 ( 2.7A)
 1.11A 4fewB-5fbbA:
undetectable		 4fewB-5fbbA:
20.81
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.
4FEW_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2vn7 GLUCOAMYLASE
(Trichoderma
reesei) 		4 / 8 ASP A 313
ASP A 176
GLU A 404
ASP A 249
 None
None
BTB  A 620 (-4.0A)
None
 1.21A 4fewD-2vn7A:
undetectable		 4fewD-2vn7A:
16.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEW_F_KANF301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2vn7 GLUCOAMYLASE
(Trichoderma
reesei) 		4 / 8 ASP A 313
ASP A 176
GLU A 404
ASP A 249
 None
None
BTB  A 620 (-4.0A)
None
 1.21A 4fewF-2vn7A:
undetectable		 4fewF-2vn7A:
16.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOX_C_D16C301_1
(THYMIDYLATE SYNTHASE)		 4v12 MAOC LIKE DOMAIN
PROTEIN
(Mycolicibacteriu
m
smegmatis) 		5 / 11 SER A 305
LEU A 263
GLY A 270
PHE A 271
TYR A  41
 BTB  A1344 (-2.7A)
None
None
None
None
 1.48A 4foxC-4v12A:
undetectable		 4foxC-4v12A:
24.45
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.
4GKH_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2vn7 GLUCOAMYLASE
(Trichoderma
reesei) 		4 / 8 ASP A 313
ASP A 176
GLU A 404
ASP A 249
 None
None
BTB  A 620 (-4.0A)
None
 0.92A 4gkhD-2vn7A:
undetectable		 4gkhD-2vn7A:
16.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKH_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5fbb NUCLEASE S1
(Aspergillus
oryzae) 		4 / 8 ASP A 139
ASN A  23
GLU A 177
ASP A  65
 ZN  A 402 (-2.5A)
BTB  A1002 (-3.8A)
BTB  A1002 (-2.8A)
PO4  A 601 ( 2.7A)
 1.09A 4gkhD-5fbbA:
undetectable		 4gkhD-5fbbA:
20.81
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.
4GKH_G_KANG301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2vn7 GLUCOAMYLASE
(Trichoderma
reesei) 		4 / 7 ASP A 313
ASP A 176
GLU A 404
ASP A 249
 None
None
BTB  A 620 (-4.0A)
None
 1.21A 4gkhG-2vn7A:
undetectable		 4gkhG-2vn7A:
16.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKI_A_KANA301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2vn7 GLUCOAMYLASE
(Trichoderma
reesei) 		4 / 8 ASP A 313
ASP A 176
GLU A 404
ASP A 249
 None
None
BTB  A 620 (-4.0A)
None
 1.21A 4gkiA-2vn7A:
undetectable		 4gkiA-2vn7A:
16.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IPM_A_ACTA503_0
(GH7 FAMILY PROTEIN)		 5o5d GLUCANASE
(Trichoderma
atroviride) 		9 / 9 ASN A 141
ALA A 143
TYR A 145
TYR A 171
ASP A 173
GLU A 212
ASP A 214
GLU A 217
TRP A 367
 BTB  A 604 (-3.7A)
BTB  A 604 (-3.5A)
BTB  A 604 (-3.8A)
None
BTB  A 604 (-3.7A)
BTB  A 604 (-2.7A)
BTB  A 604 ( 3.4A)
BTB  A 604 ( 3.0A)
GOL  A 607 ( 3.5A)
 0.50A 4ipmA-5o5dA:
61.9		 4ipmA-5o5dA:
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.
4KIC_B_SAMB401_1
(METHYLTRANSFERASE
MPPJ)		 2vn7 GLUCOAMYLASE
(Trichoderma
reesei) 		3 / 3 ARG A  53
ASP A 249
ASP A 236
 BTB  A 620 (-3.7A)
None
CA  A 650 (-2.2A)
 0.88A 4kicB-2vn7A:
undetectable		 4kicB-2vn7A:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MA3_L_ACTL301_0
(C2095 HEAVY CHAIN
C2095 LIGHT CHAIN)		 2i3a N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE
REDUCTASE
(Mycobacterium
tuberculosis) 		3 / 3 PRO A 340
ASN A 334
HIS A  32
 BTB  A1400 (-4.3A)
None
BTB  A1400 (-4.6A)
 1.03A 4ma3H-2i3aA:
undetectable
4ma3L-2i3aA:
1.5		 4ma3H-2i3aA:
19.09
4ma3L-2i3aA:
17.56
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.
4MUB_A_OAQA302_0
(SULFOTRANSFERASE)		 3fz0 NUCLEOSIDE
HYDROLASE, PUTATIVE
(Trypanosoma
brucei) 		5 / 12 PHE A 178
LEU A 134
VAL A  37
GLY A  14
ASP A  16
 BTB  A 401 (-3.9A)
None
None
None
CA  A 400 (-2.3A)
 1.44A 4mubA-3fz0A:
undetectable		 4mubA-3fz0A:
20.26
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.
4OLT_A_GCSA306_1
(CHITOSANASE)		 5o5d GLUCANASE
(Trichoderma
atroviride) 		3 / 3 SER A 342
ASP A 259
GLN A 175
 None
None
BTB  A 604 (-3.8A)
 0.80A 4oltA-5o5dA:
undetectable
4oltB-5o5dA:
undetectable		 4oltA-5o5dA:
15.90
4oltB-5o5dA:
15.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QTU_B_SAMB301_1
(PUTATIVE
METHYLTRANSFERASE
BUD23)		 5o5d GLUCANASE
(Trichoderma
atroviride) 		4 / 5 TYR A 171
SER A 365
ASP A 214
ASP A 262
 None
BTB  A 604 ( 4.9A)
BTB  A 604 ( 3.4A)
GOL  A 608 (-4.6A)
 1.05A 4qtuB-5o5dA:
undetectable		 4qtuB-5o5dA:
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.
4QWP_B_GCSB304_1
(CHITOSANASE)		 5o5d GLUCANASE
(Trichoderma
atroviride) 		3 / 3 GLN A 175
SER A 342
ASP A 259
 BTB  A 604 (-3.8A)
None
None
 0.76A 4qwpA-5o5dA:
undetectable
4qwpB-5o5dA:
undetectable		 4qwpA-5o5dA:
15.90
4qwpB-5o5dA:
15.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_B_377B401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 4as3 PHOSPHORYLCHOLINE
PHOSPHATASE
(Pseudomonas
aeruginosa) 		4 / 5 TYR A  83
GLU A  43
GLU A  42
PHE A 102
 None
BTB  A1332 ( 3.4A)
BTB  A1330 ( 4.6A)
None
 1.37A 4twdA-4as3A:
undetectable
4twdB-4as3A:
undetectable		 4twdA-4as3A:
21.90
4twdB-4as3A:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_F_377F401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 2f07 YVDT
(Bacillus
subtilis) 		4 / 7 GLU A 160
GLU A 164
TYR A 106
TYR A 122
 BTB  A 289 (-3.3A)
BTB  A 289 (-4.0A)
BTB  A 289 (-4.8A)
BTB  A 289 (-3.8A)
 1.19A 4twdF-2f07A:
undetectable
4twdJ-2f07A:
undetectable		 4twdF-2f07A:
19.74
4twdJ-2f07A:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_F_377F401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 2f07 YVDT
(Bacillus
subtilis) 		4 / 7 GLU A 164
GLU A 160
TYR A 122
TYR A 106
 BTB  A 289 (-4.0A)
BTB  A 289 (-3.3A)
BTB  A 289 (-3.8A)
BTB  A 289 (-4.8A)
 1.07A 4twdF-2f07A:
undetectable
4twdJ-2f07A:
undetectable		 4twdF-2f07A:
19.74
4twdJ-2f07A:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_H_377H401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 2f07 YVDT
(Bacillus
subtilis) 		4 / 6 TYR A 106
GLU A 164
GLU A 160
TYR A 122
 BTB  A 289 (-4.8A)
BTB  A 289 (-4.0A)
BTB  A 289 (-3.3A)
BTB  A 289 (-3.8A)
 1.10A 4twdG-2f07A:
undetectable
4twdH-2f07A:
1.9		 4twdG-2f07A:
19.74
4twdH-2f07A:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_H_377H401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 2f07 YVDT
(Bacillus
subtilis) 		4 / 6 TYR A 122
GLU A 160
GLU A 164
TYR A 106
 BTB  A 289 (-3.8A)
BTB  A 289 (-3.3A)
BTB  A 289 (-4.0A)
BTB  A 289 (-4.8A)
 1.24A 4twdG-2f07A:
undetectable
4twdH-2f07A:
1.9		 4twdG-2f07A:
19.74
4twdH-2f07A:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_H_377H401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 4as3 PHOSPHORYLCHOLINE
PHOSPHATASE
(Pseudomonas
aeruginosa) 		4 / 6 TYR A  83
GLU A  43
GLU A  42
PHE A 102
 None
BTB  A1332 ( 3.4A)
BTB  A1330 ( 4.6A)
None
 1.43A 4twdG-4as3A:
undetectable
4twdH-4as3A:
undetectable		 4twdG-4as3A:
21.90
4twdH-4as3A:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_H_377H402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 2f07 YVDT
(Bacillus
subtilis) 		4 / 5 TYR A 106
GLU A 164
GLU A 160
TYR A 122
 BTB  A 289 (-4.8A)
BTB  A 289 (-4.0A)
BTB  A 289 (-3.3A)
BTB  A 289 (-3.8A)
 1.06A 4twdH-2f07A:
1.9
4twdI-2f07A:
undetectable		 4twdH-2f07A:
19.74
4twdI-2f07A:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_H_377H402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 2f07 YVDT
(Bacillus
subtilis) 		4 / 5 TYR A 122
GLU A 160
GLU A 164
TYR A 106
 BTB  A 289 (-3.8A)
BTB  A 289 (-3.3A)
BTB  A 289 (-4.0A)
BTB  A 289 (-4.8A)
 1.19A 4twdH-2f07A:
1.9
4twdI-2f07A:
undetectable		 4twdH-2f07A:
19.74
4twdI-2f07A:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_H_377H402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 4as3 PHOSPHORYLCHOLINE
PHOSPHATASE
(Pseudomonas
aeruginosa) 		4 / 5 TYR A  83
GLU A  43
GLU A  42
PHE A 102
 None
BTB  A1332 ( 3.4A)
BTB  A1330 ( 4.6A)
None
 1.41A 4twdH-4as3A:
0.0
4twdI-4as3A:
0.0		 4twdH-4as3A:
21.90
4twdI-4as3A:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z3O_F_MFXF101_1
(DNA TOPOISOMERASE 4
SUBUNIT
B,PARE30-PARC55
FUSED TOPO IV FROM
S. PNEUMONIAE
E-SITE DNA)		 5do8 LMO0184 PROTEIN
(Listeria
monocytogenes) 		4 / 5 ARG B 331
ARG B 413
GLY B 412
GLU B 386
 None
BGC  B 601 ( 3.1A)
None
BTB  B 603 (-2.9A)
 1.23A 4z3oA-5do8B:
undetectable
4z3oB-5do8B:
undetectable		 4z3oA-5do8B:
23.07
4z3oB-5do8B:
23.07
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.
5AXD_A_RBVA502_2
(ADENOSYLHOMOCYSTEINA
SE)		 3m07 PUTATIVE ALPHA
AMYLASE
(Salmonella
enterica) 		3 / 3 THR A 502
HIS A 392
LEU A 428
 None
BTB  A 605 (-4.1A)
None
 0.79A 5axdA-3m07A:
undetectable		 5axdA-3m07A:
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.
5CSY_B_ACRB601_1
(4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC)		 3m07 PUTATIVE ALPHA
AMYLASE
(Salmonella
enterica) 		5 / 12 TRP A 227
ARG A 259
ASP A 261
GLU A 296
ASP A 393
 BTB  A 605 (-3.1A)
None
BTB  A 605 (-2.9A)
MG  A 597 (-3.9A)
BTB  A 605 (-4.1A)
 1.06A 5csyB-3m07A:
19.8		 5csyB-3m07A:
23.62
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.
5CSY_B_ACRB601_1
(4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC)		 3m07 PUTATIVE ALPHA
AMYLASE
(Salmonella
enterica) 		5 / 12 TRP A 227
ARG A 259
ASP A 261
GLU A 296
HIS A 392
 BTB  A 605 (-3.1A)
None
BTB  A 605 (-2.9A)
MG  A 597 (-3.9A)
BTB  A 605 (-4.1A)
 0.62A 5csyB-3m07A:
19.8		 5csyB-3m07A:
23.62
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.
5IQB_A_KANA600_1
(BIFUNCTIONAL AAC/APH)		 4zg8 ENDOGLUCANASE
(Perinereis
brevicirris) 		5 / 12 ASP A  61
ASP A  64
TYR A 211
SER A 253
GLU A 414
 None
None
None
None
BTB  A 505 (-3.2A)
 1.49A 5iqbA-4zg8A:
0.0		 5iqbA-4zg8A:
17.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IWU_A_ACTA402_0
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 4as3 PHOSPHORYLCHOLINE
PHOSPHATASE
(Pseudomonas
aeruginosa) 		4 / 6 PHE A 102
VAL A  98
TYR A  83
ASP A  40
 None
None
None
BTB  A1330 (-2.9A)
 1.31A 5iwuA-4as3A:
undetectable		 5iwuA-4as3A:
23.93
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.
5JGL_A_SAMA301_1
(UBIE/COQ5 FAMILY
METHYLTRANSFERASE,
PUTATIVE)		 2w1q HYALURONOGLUCOSAMINI
DASE
(Clostridium
perfringens) 		3 / 3 GLY A 874
ASP A 877
ASN A 933
 None
BTB  A1949 (-2.8A)
None
 0.60A 5jglA-2w1qA:
undetectable		 5jglA-2w1qA:
20.56
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.
5JWA_H_ACTH612_0
(NADH DEHYDROGENASE,
PUTATIVE)		 4p7c TRNA
(MO5U34)-METHYLTRANS
FERASE
(Pseudomonas
syringae
group
genomosp.
3) 		3 / 3 ARG A 103
PRO A  90
ASN A  92
 BTB  A 401 (-3.3A)
BTB  A 401 (-4.6A)
BTB  A 401 (-3.1A)
 1.02A 5jwaA-4p7cA:
2.0
5jwaH-4p7cA:
2.4		 5jwaA-4p7cA:
19.18
5jwaH-4p7cA:
19.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KGP_A_GCSA407_1
(PREDICTED
ACETYLTRANSFERASE)		 2yhg CELLULOSE-BINDING
PROTEIN
(Saccharophagus
degradans) 		4 / 8 GLU A 552
GLY A 751
PRO A 750
TRP A 763
 BTB  A1945 ( 3.8A)
None
BTB  A1945 ( 4.7A)
BTB  A1945 (-4.9A)
 1.08A 5kgpA-2yhgA:
undetectable		 5kgpA-2yhgA:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KGP_B_GCSB405_1
(PREDICTED
ACETYLTRANSFERASE)		 2yhg CELLULOSE-BINDING
PROTEIN
(Saccharophagus
degradans) 		4 / 8 GLU A 552
GLY A 751
PRO A 750
TRP A 763
 BTB  A1945 ( 3.8A)
None
BTB  A1945 ( 4.7A)
BTB  A1945 (-4.9A)
 1.10A 5kgpB-2yhgA:
undetectable		 5kgpB-2yhgA:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KMD_C_6UBC1304_1
(ION TRANSPORT
PROTEIN)		 5vjy DUTP PYROPHOSPHATASE
(Naegleria
fowleri) 		4 / 5 TYR A  37
ILE A 104
LEU A  90
GLY A  91
 None
None
None
BTB  A 201 (-3.5A)
 0.87A 5kmdC-5vjyA:
undetectable
5kmdD-5vjyA:
undetectable		 5kmdC-5vjyA:
18.82
5kmdD-5vjyA:
18.82
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.
5L7I_A_VISA1202_1
(SMOOTHENED
HOMOLOG,SOLUBLE
CYTOCHROME
B562,SMOOTHENED
HOMOLOG)		 4dun PUTATIVE PHENAZINE
BIOSYNTHESIS
PHZC/PHZF PROTEIN
(Clostridioides
difficile) 		5 / 12 ASN A  17
ASP A 197
ARG A 142
ASN A 206
LEU A 207
 BTB  A 302 ( 4.6A)
BTB  A 302 (-2.8A)
BTB  A 302 ( 4.4A)
None
None
 1.25A 5l7iA-4dunA:
undetectable		 5l7iA-4dunA:
18.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NR3_A_95EA401_0
(DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3B)		 3llr DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3A
(Homo
sapiens) 		5 / 7 PHE A  29
TRP A  32
TRP A  56
ASP A  59
LYS A  61
 BTB  A 154 (-3.2A)
BTB  A 154 (-3.6A)
BTB  A 154 (-3.4A)
BTB  A 154 (-2.7A)
BTB  A 154 (-3.6A)
 1.00A 5nr3A-3llrA:
25.1		 5nr3A-3llrA:
51.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OV9_B_CVIB603_0
(ACETYLCHOLINESTERASE)		 2f07 YVDT
(Bacillus
subtilis) 		4 / 7 TYR A 125
TYR A 122
ASP A  68
HIS A  65
 None
BTB  A 289 (-3.8A)
None
None
 1.40A 5ov9B-2f07A:
undetectable		 5ov9B-2f07A:
14.13
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.
5SYF_B_TA1B502_1
(TUBULIN BETA CHAIN)		 1vcl HEMOLYTIC LECTIN
CEL-III
(Cucumaria
echinata) 		5 / 12 ASP A   9
ALA A 352
SER A 356
PRO A 401
LEU A 384
 None
BTB  A1301 (-3.5A)
BTB  A1301 (-3.3A)
None
None
 1.32A 5syfB-1vclA:
undetectable		 5syfB-1vclA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VLM_B_CVIB301_1
(REGULATORY PROTEIN
TETR)		 5o5d GLUCANASE
(Trichoderma
atroviride) 		4 / 8 GLY A 245
GLN A 335
ASP A 257
ASP A 173
 None
None
None
BTB  A 604 (-3.7A)
 1.04A 5vlmB-5o5dA:
undetectable		 5vlmB-5o5dA:
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.
5VLM_E_CVIE301_1
(REGULATORY PROTEIN
TETR)		 5o5d GLUCANASE
(Trichoderma
atroviride) 		4 / 7 GLY A 244
GLN A 335
ASP A 257
ASP A 173
 None
None
None
BTB  A 604 (-3.7A)
 1.10A 5vlmE-5o5dA:
undetectable		 5vlmE-5o5dA:
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.
5VLM_E_CVIE301_1
(REGULATORY PROTEIN
TETR)		 5o5d GLUCANASE
(Trichoderma
atroviride) 		4 / 7 GLY A 245
GLN A 335
ASP A 257
ASP A 173
 None
None
None
BTB  A 604 (-3.7A)
 1.16A 5vlmE-5o5dA:
undetectable		 5vlmE-5o5dA:
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.
5X2T_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		 4awn DEOXYRIBONUCLEASE-1
(Homo
sapiens) 		4 / 8 ALA A 210
THR A 202
TRP A 194
ALA A   4
 None
None
BTB  A 315 ( 4.9A)
None
 1.04A 5x2tI-4awnA:
undetectable
5x2tJ-4awnA:
undetectable
5x2tK-4awnA:
undetectable
5x2tL-4awnA:
undetectable		 5x2tI-4awnA:
20.50
5x2tJ-4awnA:
21.58
5x2tK-4awnA:
20.50
5x2tL-4awnA:
21.58
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.
6B1E_B_LF7B801_1
(DIPEPTIDYL PEPTIDASE
4)		 3ndy ENDOGLUCANASE D
(Clostridium
cellulovorans) 		5 / 12 ARG A  63
GLU A 148
TYR A 229
ASN A 151
HIS A 107
 None
None
BTB  A   1 (-4.1A)
BTB  A   1 ( 4.6A)
BTB  A   1 (-4.1A)
 1.48A 6b1eB-3ndyA:
undetectable		 6b1eB-3ndyA:
18.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BXL_B_SAMB401_0
(2-(3-AMINO-3-CARBOXY
PROPYL)HISTIDINE
SYNTHASE)		 4pq9 BETA-1,3-GLUCANASE
(Mycobacterium
marinum) 		5 / 12 GLY A 166
SER A 212
VAL A 208
VAL A 160
ASP A 144
 None
None
None
None
BTB  A 303 (-3.8A)
 1.18A 6bxlB-4pq9A:
undetectable		 6bxlB-4pq9A:
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.
6FHW_A_ACRA801_1
(GLUCOAMYLASE P)		 2vn7 GLUCOAMYLASE
(Trichoderma
reesei) 		12 / 12 ALA A  38
TYR A  47
TRP A  51
ARG A  53
ASP A  54
TRP A 120
GLY A 121
GLU A 180
ARG A 309
TYR A 315
TRP A 321
TRP A 421
 BTB  A 620 ( 3.8A)
BTB  A 620 (-3.9A)
BTB  A 620 (-3.8A)
BTB  A 620 (-3.7A)
BTB  A 620 (-2.8A)
None
None
None
BTB  A 620 (-3.6A)
BTB  A 620 ( 4.9A)
None
None
 0.46A 6fhwA-2vn7A:
57.8		 6fhwA-2vn7A:
9.38
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.
6FHW_A_ACRA801_2
(GLUCOAMYLASE P)		 2vn7 GLUCOAMYLASE
(Trichoderma
reesei) 		3 / 3 TRP A 178
GLU A 179
GLU A 404
 None
BTB  A 620 (-3.6A)
BTB  A 620 (-4.0A)
 0.39A 6fhwA-2vn7A:
57.8		 6fhwA-2vn7A:
9.38
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.
6FHW_A_ACRA801_2
(GLUCOAMYLASE P)		 2vn7 GLUCOAMYLASE
(Trichoderma
reesei) 		3 / 3 TRP A 421
GLU A 404
GLU A 179
 None
BTB  A 620 (-4.0A)
BTB  A 620 (-3.6A)
 0.90A 6fhwA-2vn7A:
57.8		 6fhwA-2vn7A:
9.38
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.
6FHW_B_ACRB801_1
(GLUCOAMYLASE P)		 2vn7 GLUCOAMYLASE
(Trichoderma
reesei) 		12 / 12 ALA A  38
TYR A  47
TRP A  51
ARG A  53
ASP A  54
TRP A 120
GLY A 121
GLU A 180
ARG A 309
TYR A 315
TRP A 321
TRP A 421
 BTB  A 620 ( 3.8A)
BTB  A 620 (-3.9A)
BTB  A 620 (-3.8A)
BTB  A 620 (-3.7A)
BTB  A 620 (-2.8A)
None
None
None
BTB  A 620 (-3.6A)
BTB  A 620 ( 4.9A)
None
None
 0.46A 6fhwB-2vn7A:
58.1		 6fhwB-2vn7A:
9.38
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.
6FHW_B_ACRB801_2
(GLUCOAMYLASE P)		 2vn7 GLUCOAMYLASE
(Trichoderma
reesei) 		4 / 4 TRP A 178
GLU A 179
GLU A 404
LEU A 419
 None
BTB  A 620 (-3.6A)
BTB  A 620 (-4.0A)
None
 0.43A 6fhwB-2vn7A:
58.1		 6fhwB-2vn7A:
9.38
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.
6FU4_B_HSMB401_1
(PROBABLE CHEMOTAXIS
TRANSDUCER)		 3li9 HYPOTHETICAL SENSORY
TRANSDUCTION
HISTIDINE KINASE
(Methanosarcina
mazei) 		5 / 9 TYR A 105
TYR A 135
GLU A 146
TYR A 172
ASP A 199
 BTB  A   1 (-3.6A)
BTB  A   1 (-4.1A)
None
BTB  A   1 (-4.6A)
BTB  A   1 (-2.9A)
 1.17A 6fu4B-3li9A:
27.1		 6fu4B-3li9A:
12.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6FU4_D_HSMD401_1
(PROBABLE CHEMOTAXIS
TRANSDUCER)		 3li9 HYPOTHETICAL SENSORY
TRANSDUCTION
HISTIDINE KINASE
(Methanosarcina
mazei) 		5 / 9 TYR A 105
TYR A 135
GLU A 146
TYR A 172
ASP A 199
 BTB  A   1 (-3.6A)
BTB  A   1 (-4.1A)
None
BTB  A   1 (-4.6A)
BTB  A   1 (-2.9A)
 1.14A 6fu4D-3li9A:
26.9		 6fu4D-3li9A:
12.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6H0G_B_Y70B502_0
(PROTEIN CEREBLON
ZINC FINGER PROTEIN
692)		 5o5d GLUCANASE
(Trichoderma
atroviride) 		5 / 11 ASN A 188
HIS A 206
GLU A 190
TRP A 192
GLN A 186
 None
NI  A 603 ( 3.1A)
BTB  A 605 ( 4.7A)
None
None
 1.44A 6h0gB-5o5dA:
0.0
6h0gC-5o5dA:
undetectable		 6h0gB-5o5dA:
17.98
6h0gC-5o5dA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6H0G_E_Y70E502_0
(PROTEIN CEREBLON
ZINC FINGER PROTEIN
692)		 4pq9 BETA-1,3-GLUCANASE
(Mycobacterium
marinum) 		5 / 12 PRO A 131
GLU A 147
SER A 156
TRP A 148
GLY A 237
 None
BTB  A 303 (-2.7A)
None
None
None
 1.45A 6h0gE-4pq9A:
0.0
6h0gF-4pq9A:
undetectable		 6h0gE-4pq9A:
18.11
6h0gF-4pq9A:
9.04
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.
6MN4_A_AM2A301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 5fbb NUCLEASE S1
(Aspergillus
oryzae) 		4 / 8 ASP A  65
HIS A 135
GLU A  27
GLU A 177
 PO4  A 601 ( 2.7A)
ZN  A 402 ( 3.2A)
None
BTB  A1002 (-2.8A)
 0.99A 6mn4A-5fbbA:
undetectable		 6mn4A-5fbbA:
20.14
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.
6MN4_B_AM2B301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 5fbb NUCLEASE S1
(Aspergillus
oryzae) 		4 / 8 ASP A  65
HIS A 135
GLU A  27
GLU A 177
 PO4  A 601 ( 2.7A)
ZN  A 402 ( 3.2A)
None
BTB  A1002 (-2.8A)
 0.90A 6mn4B-5fbbA:
undetectable		 6mn4B-5fbbA:
20.14
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.
6MN4_D_AM2D301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 5fbb NUCLEASE S1
(Aspergillus
oryzae) 		4 / 8 ASP A  65
HIS A 135
GLU A  27
GLU A 177
 PO4  A 601 ( 2.7A)
ZN  A 402 ( 3.2A)
None
BTB  A1002 (-2.8A)
 1.05A 6mn4D-5fbbA:
undetectable		 6mn4D-5fbbA:
20.14