SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '173'


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.
1C9S_T_TRPT81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 4umv ZINC-TRANSPORTING
ATPASE
(Shigella
sonnei) 		4 / 7 GLY A 289
ALA A 589
THR A 583
THR A 442
 BEF  A1732 (-3.0A)
None
BEF  A1732 (-4.2A)
None
 0.77A 1c9sT-4umvA:
undetectable
1c9sU-4umvA:
undetectable		 1c9sT-4umvA:
7.07
1c9sU-4umvA:
7.07
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.
1DVX_B_DIFB125_2
(TRANSTHYRETIN)		 3cf4 ACETYL-COA
DECARBOXYLASE/SYNTHA
SE ALPHA SUBUNIT
ACETYL-COA
DECARBOXYLASE/SYNTHA
SE EPSILON SUBUNIT
(Methanosarcina
barkeri) 		4 / 7 ALA G 127
LEU G 125
THR A  70
VAL A  68
 ACY  A 821 (-3.6A)
PEG  G 173 ( 4.0A)
None
ACY  A 821 ( 4.3A)
 0.62A 1dvxB-3cf4G:
undetectable		 1dvxB-3cf4G:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DZ4_A_CAMA502_0
(CYTOCHROME P450-CAM)		 4std SCYTALONE
DEHYDRATASE
(Magnaporthe
grisea) 		4 / 6 PHE A  53
TYR A  50
VAL A  75
VAL A 108
 None
BFS  A 173 (-4.3A)
BFS  A 173 (-4.5A)
BFS  A 173 ( 4.4A)
 1.02A 1dz4A-4stdA:
undetectable		 1dz4A-4stdA:
18.27
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.
1DZ4_B_CAMB502_0
(CYTOCHROME P450-CAM)		 4std SCYTALONE
DEHYDRATASE
(Magnaporthe
grisea) 		4 / 6 PHE A  53
TYR A  50
VAL A  75
VAL A 108
 None
BFS  A 173 (-4.3A)
BFS  A 173 (-4.5A)
BFS  A 173 ( 4.4A)
 1.03A 1dz4B-4stdA:
undetectable		 1dz4B-4stdA:
18.27
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.
1DZ6_B_CAMB502_0
(CYTOCHROME P450-CAM)		 4std SCYTALONE
DEHYDRATASE
(Magnaporthe
grisea) 		4 / 5 PHE A  53
TYR A  50
VAL A  75
VAL A 108
 None
BFS  A 173 (-4.3A)
BFS  A 173 (-4.5A)
BFS  A 173 ( 4.4A)
 1.02A 1dz6B-4stdA:
undetectable		 1dz6B-4stdA:
18.27
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.
1G50_B_ESTB1600_1
(ESTROGEN RECEPTOR)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 307
LEU A 144
ARG A 175
ILE A 667
GLY A 677
 None
COA  A1730 ( 4.8A)
COA  A1730 (-3.9A)
None
None
 1.21A 1g50B-4b3iA:
undetectable		 1g50B-4b3iA:
15.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1G50_C_ESTC2600_1
(ESTROGEN RECEPTOR)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB
(Mycobacterium
tuberculosis) 		5 / 11 LEU A 307
LEU A 144
ARG A 175
ILE A 667
GLY A 677
 None
COA  A1730 ( 4.8A)
COA  A1730 (-3.9A)
None
None
 1.21A 1g50C-4b3iA:
undetectable		 1g50C-4b3iA:
15.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTF_L_TRPL81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN
(TRAP))		 4umv ZINC-TRANSPORTING
ATPASE
(Shigella
sonnei) 		4 / 7 GLY A 289
ALA A 589
THR A 583
THR A 442
 BEF  A1732 (-3.0A)
None
BEF  A1732 (-4.2A)
None
 0.77A 1gtfL-4umvA:
undetectable
1gtfM-4umvA:
undetectable		 1gtfL-4umvA:
7.07
1gtfM-4umvA:
7.07
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.
1GTF_N_TRPN81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN
(TRAP))		 4umv ZINC-TRANSPORTING
ATPASE
(Shigella
sonnei) 		4 / 8 GLY A 289
ALA A 589
THR A 583
THR A 442
 BEF  A1732 (-3.0A)
None
BEF  A1732 (-4.2A)
None
 0.78A 1gtfN-4umvA:
undetectable
1gtfO-4umvA:
undetectable		 1gtfN-4umvA:
7.07
1gtfO-4umvA:
7.07
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.
1GTN_I_TRPI81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 4umv ZINC-TRANSPORTING
ATPASE
(Shigella
sonnei) 		5 / 10 ALA A 589
GLY A 289
ALA A 590
THR A 442
THR A 438
 None
BEF  A1732 (-3.0A)
None
None
BEF  A1732 ( 3.7A)
 1.03A 1gtnH-4umvA:
undetectable
1gtnI-4umvA:
undetectable		 1gtnH-4umvA:
7.07
1gtnI-4umvA:
7.07
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.
1IVV_A_DAHA382_1
(AMINE OXIDASE)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		8 / 10 TYR A 372
THR A 467
ASN A 470
ASP A 472
TYR A 473
HIS A 520
HIS A 522
HIS A 684
 None
PAQ  A 471 ( 4.4A)
PAQ  A 471 ( 3.3A)
PAQ  A 471 ( 3.6A)
PAQ  A 471 ( 4.5A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
CU  A1737 (-3.1A)
 0.66A 1ivvA-2c11A:
39.3		 1ivvA-2c11A:
25.36
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.
1IVV_B_DAHB382_1
(AMINE OXIDASE)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		8 / 10 TYR A 372
THR A 467
ASN A 470
ASP A 472
TYR A 473
HIS A 520
HIS A 522
HIS A 684
 None
PAQ  A 471 ( 4.4A)
PAQ  A 471 ( 3.3A)
PAQ  A 471 ( 3.6A)
PAQ  A 471 ( 4.5A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
CU  A1737 (-3.1A)
 0.69A 1ivvB-2c11A:
39.3		 1ivvB-2c11A:
25.36
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.
1J36_A_LPRA801_1
(ANGIOTENSIN
CONVERTING ENZYME)		 4ar9 COLLAGENASE COLT
(Clostridium
tetani) 		5 / 12 HIS A 465
GLU A 466
HIS A 469
GLU A 499
TYR A 548
 ZN  A1731 (-3.3A)
ZN  A1731 (-3.9A)
ZN  A1731 (-3.2A)
ZN  A1731 (-2.6A)
None
 0.67A 1j36A-4ar9A:
3.6		 1j36A-4ar9A:
20.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1J36_B_LPRB802_1
(ANGIOTENSIN
CONVERTING ENZYME)		 4ar9 COLLAGENASE COLT
(Clostridium
tetani) 		5 / 12 HIS A 465
GLU A 466
HIS A 469
GLU A 499
TYR A 548
 ZN  A1731 (-3.3A)
ZN  A1731 (-3.9A)
ZN  A1731 (-3.2A)
ZN  A1731 (-2.6A)
None
 0.68A 1j36B-4ar9A:
3.6		 1j36B-4ar9A:
20.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1J37_A_X8ZA801_1
(ANGIOTENSIN
CONVERTING ENZYME)		 4ar9 COLLAGENASE COLT
(Clostridium
tetani) 		5 / 11 HIS A 465
GLU A 466
HIS A 469
GLU A 499
TYR A 548
 ZN  A1731 (-3.3A)
ZN  A1731 (-3.9A)
ZN  A1731 (-3.2A)
ZN  A1731 (-2.6A)
None
 0.65A 1j37A-4ar9A:
3.4		 1j37A-4ar9A:
20.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1J37_B_X8ZB802_1
(ANGIOTENSIN
CONVERTING ENZYME)		 4ar9 COLLAGENASE COLT
(Clostridium
tetani) 		5 / 11 HIS A 465
GLU A 466
HIS A 469
GLU A 499
TYR A 548
 ZN  A1731 (-3.3A)
ZN  A1731 (-3.9A)
ZN  A1731 (-3.2A)
ZN  A1731 (-2.6A)
None
 0.66A 1j37B-4ar9A:
2.8		 1j37B-4ar9A:
20.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JDV_E_ADNE4260_1
(5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE)		 4g41 MTA/SAH NUCLEOSIDASE
(Streptococcus
pyogenes) 		5 / 12 GLY A  78
GLU A 172
MET A 173
GLU A 174
SER A 196
 GLY  A  78 ( 0.0A)
GLU  A 172 ( 0.5A)
MET  A 173 ( 0.0A)
GLU  A 174 ( 0.6A)
SER  A 196 ( 0.0A)
 0.69A 1jdvE-4g41A:
23.8
1jdvF-4g41A:
23.7		 1jdvE-4g41A:
24.70
1jdvF-4g41A:
24.70
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.
1JDV_E_ADNE4260_1
(5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE)		 4g41 MTA/SAH NUCLEOSIDASE
(Streptococcus
pyogenes) 		5 / 12 VAL A 171
GLU A 172
MET A 173
GLU A 174
SER A 196
 VAL  A 171 ( 0.6A)
GLU  A 172 ( 0.5A)
MET  A 173 ( 0.0A)
GLU  A 174 ( 0.6A)
SER  A 196 ( 0.0A)
 0.81A 1jdvE-4g41A:
23.8
1jdvF-4g41A:
23.7		 1jdvE-4g41A:
24.70
1jdvF-4g41A:
24.70
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.
1KQW_A_RTLA135_0
(CELLULAR
RETINOL-BINDING
PROTEIN)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		5 / 12 PHE A 703
ILE A 485
THR A 635
LEU A 632
ILE A 605
 None
None
CA  A1738 ( 4.8A)
None
None
 1.22A 1kqwA-2c11A:
undetectable		 1kqwA-2c11A:
10.33
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.
1O86_A_LPRA702_1
(ANGIOTENSIN
CONVERTING ENZYME)		 4ar9 COLLAGENASE COLT
(Clostridium
tetani) 		5 / 12 HIS A 465
GLU A 466
HIS A 469
GLU A 499
TYR A 548
 ZN  A1731 (-3.3A)
ZN  A1731 (-3.9A)
ZN  A1731 (-3.2A)
ZN  A1731 (-2.6A)
None
 0.65A 1o86A-4ar9A:
undetectable		 1o86A-4ar9A:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ODI_C_ADNC1238_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4g41 MTA/SAH NUCLEOSIDASE
(Streptococcus
pyogenes) 		5 / 11 GLY A  78
GLU A 172
MET A 173
GLU A 174
SER A 196
 GLY  A  78 ( 0.0A)
GLU  A 172 ( 0.5A)
MET  A 173 ( 0.0A)
GLU  A 174 ( 0.6A)
SER  A 196 ( 0.0A)
 0.92A 1odiC-4g41A:
23.2		 1odiC-4g41A:
27.76
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.
1OE2_A_CUA502_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 2y0o PROBABLE D-LYXOSE
KETOL-ISOMERASE
(Bacillus
subtilis) 		3 / 3 GLU A  82
HIS A 137
HIS A  71
 ZN  A1173 (-2.6A)
ZN  A1173 (-3.4A)
ZN  A1173 (-3.4A)
 0.54A 1oe2A-2y0oA:
1.6		 1oe2A-2y0oA:
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.
1OG5_A_SWFA502_1
(CYTOCHROME P450 2C9)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB
(Mycobacterium
tuberculosis) 		5 / 12 ARG A 127
LEU A 114
ALA A 113
LEU A 122
LEU A  95
 None
COA  A1730 ( 4.4A)
None
None
None
 1.24A 1og5A-4b3iA:
undetectable		 1og5A-4b3iA:
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.
1OS2_A_HAEA874_1
(MACROPHAGE
METALLOELASTASE)		 2y0o PROBABLE D-LYXOSE
KETOL-ISOMERASE
(Bacillus
subtilis) 		4 / 5 HIS A 137
GLU A  82
HIS A  71
HIS A  69
 ZN  A1173 (-3.4A)
ZN  A1173 (-2.6A)
ZN  A1173 (-3.4A)
ZN  A1173 (-3.6A)
 1.02A 1os2A-2y0oA:
undetectable		 1os2A-2y0oA:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OS2_D_HAED574_1
(MACROPHAGE
METALLOELASTASE)		 2y0o PROBABLE D-LYXOSE
KETOL-ISOMERASE
(Bacillus
subtilis) 		4 / 4 HIS A 137
GLU A  82
HIS A  71
HIS A  69
 ZN  A1173 (-3.4A)
ZN  A1173 (-2.6A)
ZN  A1173 (-3.4A)
ZN  A1173 (-3.6A)
 1.02A 1os2D-2y0oA:
undetectable		 1os2D-2y0oA:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PK7_A_ADNA1245_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4g41 MTA/SAH NUCLEOSIDASE
(Streptococcus
pyogenes) 		5 / 9 GLY A  78
GLU A 172
MET A 173
GLU A 174
SER A 196
 GLY  A  78 ( 0.0A)
GLU  A 172 ( 0.5A)
MET  A 173 ( 0.0A)
GLU  A 174 ( 0.6A)
SER  A 196 ( 0.0A)
 0.64A 1pk7A-4g41A:
25.1		 1pk7A-4g41A:
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.
1PK7_C_ADNC1247_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4g41 MTA/SAH NUCLEOSIDASE
(Streptococcus
pyogenes) 		5 / 10 GLY A  78
GLU A 172
MET A 173
GLU A 174
SER A 196
 GLY  A  78 ( 0.0A)
GLU  A 172 ( 0.5A)
MET  A 173 ( 0.0A)
GLU  A 174 ( 0.6A)
SER  A 196 ( 0.0A)
 0.90A 1pk7C-4g41A:
24.6		 1pk7C-4g41A:
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.
1PK7_C_ADNC1247_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4g41 MTA/SAH NUCLEOSIDASE
(Streptococcus
pyogenes) 		5 / 10 VAL A 171
GLU A 172
MET A 173
GLU A 174
SER A 196
 VAL  A 171 ( 0.6A)
GLU  A 172 ( 0.5A)
MET  A 173 ( 0.0A)
GLU  A 174 ( 0.6A)
SER  A 196 ( 0.0A)
 0.80A 1pk7C-4g41A:
24.6		 1pk7C-4g41A:
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.
1PK9_A_2FAA306_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4g41 MTA/SAH NUCLEOSIDASE
(Streptococcus
pyogenes) 		5 / 10 GLY A  78
GLU A 172
MET A 173
GLU A 174
SER A 196
 GLY  A  78 ( 0.0A)
GLU  A 172 ( 0.5A)
MET  A 173 ( 0.0A)
GLU  A 174 ( 0.6A)
SER  A 196 ( 0.0A)
 0.74A 1pk9A-4g41A:
25.0		 1pk9A-4g41A:
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.
1PK9_A_2FAA306_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4g41 MTA/SAH NUCLEOSIDASE
(Streptococcus
pyogenes) 		5 / 10 VAL A 171
GLU A 172
MET A 173
GLU A 174
SER A 196
 VAL  A 171 ( 0.6A)
GLU  A 172 ( 0.5A)
MET  A 173 ( 0.0A)
GLU  A 174 ( 0.6A)
SER  A 196 ( 0.0A)
 0.66A 1pk9A-4g41A:
25.0		 1pk9A-4g41A:
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.
1PK9_B_2FAB307_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4g41 MTA/SAH NUCLEOSIDASE
(Streptococcus
pyogenes) 		5 / 9 GLY A  78
GLU A 172
MET A 173
GLU A 174
SER A 196
 GLY  A  78 ( 0.0A)
GLU  A 172 ( 0.5A)
MET  A 173 ( 0.0A)
GLU  A 174 ( 0.6A)
SER  A 196 ( 0.0A)
 0.72A 1pk9B-4g41A:
24.6		 1pk9B-4g41A:
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.
1PK9_C_2FAC308_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4g41 MTA/SAH NUCLEOSIDASE
(Streptococcus
pyogenes) 		5 / 11 GLY A  78
GLU A 172
MET A 173
GLU A 174
SER A 196
 GLY  A  78 ( 0.0A)
GLU  A 172 ( 0.5A)
MET  A 173 ( 0.0A)
GLU  A 174 ( 0.6A)
SER  A 196 ( 0.0A)
 0.91A 1pk9C-4g41A:
24.8		 1pk9C-4g41A:
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.
1PK9_C_2FAC308_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4g41 MTA/SAH NUCLEOSIDASE
(Streptococcus
pyogenes) 		5 / 11 VAL A 171
GLU A 172
MET A 173
GLU A 174
ILE A 158
 VAL  A 171 ( 0.6A)
GLU  A 172 ( 0.5A)
MET  A 173 ( 0.0A)
GLU  A 174 ( 0.6A)
ILE  A 158 ( 0.7A)
 0.72A 1pk9C-4g41A:
24.8		 1pk9C-4g41A:
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.
1PK9_C_2FAC308_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4g41 MTA/SAH NUCLEOSIDASE
(Streptococcus
pyogenes) 		5 / 11 VAL A 171
GLU A 172
MET A 173
GLU A 174
SER A 196
 VAL  A 171 ( 0.6A)
GLU  A 172 ( 0.5A)
MET  A 173 ( 0.0A)
GLU  A 174 ( 0.6A)
SER  A 196 ( 0.0A)
 0.74A 1pk9C-4g41A:
24.8		 1pk9C-4g41A:
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.
1PW7_A_RABA645_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4g41 MTA/SAH NUCLEOSIDASE
(Streptococcus
pyogenes) 		5 / 10 GLY A  78
GLU A 172
MET A 173
GLU A 174
SER A 196
 GLY  A  78 ( 0.0A)
GLU  A 172 ( 0.5A)
MET  A 173 ( 0.0A)
GLU  A 174 ( 0.6A)
SER  A 196 ( 0.0A)
 0.68A 1pw7A-4g41A:
25.1		 1pw7A-4g41A:
24.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PW7_B_RABB646_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4g41 MTA/SAH NUCLEOSIDASE
(Streptococcus
pyogenes) 		5 / 9 VAL A 171
GLU A 172
MET A 173
GLU A 174
ILE A 158
 VAL  A 171 ( 0.6A)
GLU  A 172 ( 0.5A)
MET  A 173 ( 0.0A)
GLU  A 174 ( 0.6A)
ILE  A 158 ( 0.7A)
 0.71A 1pw7B-4g41A:
24.6		 1pw7B-4g41A:
24.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PW7_C_RABC647_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4g41 MTA/SAH NUCLEOSIDASE
(Streptococcus
pyogenes) 		5 / 9 VAL A 171
GLU A 172
MET A 173
GLU A 174
ILE A 158
 VAL  A 171 ( 0.6A)
GLU  A 172 ( 0.5A)
MET  A 173 ( 0.0A)
GLU  A 174 ( 0.6A)
ILE  A 158 ( 0.7A)
 0.75A 1pw7C-4g41A:
24.7		 1pw7C-4g41A:
24.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PW7_C_RABC647_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4g41 MTA/SAH NUCLEOSIDASE
(Streptococcus
pyogenes) 		5 / 9 VAL A 171
GLU A 172
MET A 173
GLU A 174
SER A 196
 VAL  A 171 ( 0.6A)
GLU  A 172 ( 0.5A)
MET  A 173 ( 0.0A)
GLU  A 174 ( 0.6A)
SER  A 196 ( 0.0A)
 0.69A 1pw7C-4g41A:
24.7		 1pw7C-4g41A:
24.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q0Y_H_MOIH401_1
(FAB 9B1, HEAVY CHAIN
FAB 9B1, LIGHT CHAIN)		 2y0o PROBABLE D-LYXOSE
KETOL-ISOMERASE
(Bacillus
subtilis) 		4 / 7 GLU A 150
GLU A  82
ILE A 131
LEU A  42
 ARS  A1176 (-4.1A)
ZN  A1173 (-2.6A)
None
None
 1.33A 1q0yH-2y0oA:
undetectable
1q0yL-2y0oA:
undetectable		 1q0yH-2y0oA:
20.91
1q0yL-2y0oA:
21.76
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.
1R55_A_097A518_1
(ADAM 33)		 5d7w SERRALYSIN
(Serratia
marcescens) 		5 / 10 THR A 173
HIS A 176
GLU A 177
HIS A 180
HIS A 186
 THR  A 173 ( 0.8A)
HIS  A 176 (-1.0A)
GLU  A 177 ( 0.6A)
HIS  A 180 (-1.0A)
HIS  A 186 (-1.0A)
 0.49A 1r55A-5d7wA:
6.8		 1r55A-5d7wA:
18.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RJO_A_CUA701_0
(PHENYLETHYLAMINE
OXIDASE)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 520
HIS A 522
HIS A 684
 CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
CU  A1737 (-3.1A)
 0.24A 1rjoA-2c11A:
39.2		 1rjoA-2c11A:
25.98
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.
1RKY_A_CUA801_0
(LYSYL OXIDASE)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 520
HIS A 522
HIS A 684
 CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
CU  A1737 (-3.1A)
 0.27A 1rkyA-2c11A:
42.0		 1rkyA-2c11A:
28.22
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.
1S14_A_NOVA1300_1
(TOPOISOMERASE IV
SUBUNIT B)		 1o94 TRIMETHYLAMINE
DEHYDROGENASE
(Methylophilus
methylotrophus) 		5 / 12 GLU A 372
MET A 362
PRO A 361
ILE A  31
ARG A 354
 None
FMN  A1730 ( 4.3A)
None
None
None
 1.50A 1s14A-1o94A:
undetectable		 1s14A-1o94A:
14.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S14_B_NOVB2300_1
(TOPOISOMERASE IV
SUBUNIT B)		 1o94 TRIMETHYLAMINE
DEHYDROGENASE
(Methylophilus
methylotrophus) 		5 / 12 GLU A 372
MET A 362
PRO A 361
ILE A  31
ARG A 354
 None
FMN  A1730 ( 4.3A)
None
None
None
 1.41A 1s14B-1o94A:
undetectable		 1s14B-1o94A:
14.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SDT_B_MK1B902_1
(PROTEASE RETROPEPSIN)		 1o94 TRIMETHYLAMINE
DEHYDROGENASE
(Methylophilus
methylotrophus) 		5 / 10 LEU A 650
GLY A 668
ILE A 666
VAL A 395
ILE A 485
 ADP  A1731 ( 4.6A)
None
None
ADP  A1731 (-4.7A)
None
 0.98A 1sdtA-1o94A:
undetectable		 1sdtA-1o94A:
10.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SG9_A_SAMA301_1
(HEMK PROTEIN)		 3c7o ENDO-1,4-BETA-XYLANA
SE
(Bacillus
subtilis) 		4 / 4 THR A 149
GLY A 144
ASP A 141
ALA A  97
 GOL  A1734 ( 4.3A)
None
None
None
 1.05A 1sg9A-3c7oA:
undetectable		 1sg9A-3c7oA:
20.09
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.
1SV9_A_DIFA701_1
(PHOSPHOLIPASE A2)		 2xn1 ALPHA-GALACTOSIDASE
(Lactobacillus
acidophilus) 		4 / 8 LEU A 515
ILE A 479
CYH A 530
GLY A 529
 None
None
TRS  A1733 (-3.2A)
None
 0.82A 1sv9A-2xn1A:
undetectable		 1sv9A-2xn1A:
10.16
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.
1T3R_A_017A1200_2
(PROTEASE RETROPEPSIN)		 1o94 TRIMETHYLAMINE
DEHYDROGENASE
(Methylophilus
methylotrophus) 		5 / 11 LEU A 650
GLY A 668
ILE A 666
VAL A 395
ILE A 485
 ADP  A1731 ( 4.6A)
None
None
ADP  A1731 (-4.7A)
None
 0.96A 1t3rB-1o94A:
undetectable		 1t3rB-1o94A:
10.00
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.
1T85_A_CAMA422_0
(CYTOCHROME P450-CAM)		 4std SCYTALONE
DEHYDRATASE
(Magnaporthe
grisea) 		4 / 7 PHE A  53
TYR A  50
VAL A  75
VAL A 108
 None
BFS  A 173 (-4.3A)
BFS  A 173 (-4.5A)
BFS  A 173 ( 4.4A)
 1.05A 1t85A-4stdA:
undetectable		 1t85A-4stdA:
18.27
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.
1T87_A_CAMA1422_0
(CYTOCHROME P450-CAM)		 4std SCYTALONE
DEHYDRATASE
(Magnaporthe
grisea) 		4 / 7 PHE A  53
TYR A  50
VAL A  75
VAL A 108
 None
BFS  A 173 (-4.3A)
BFS  A 173 (-4.5A)
BFS  A 173 ( 4.4A)
 1.03A 1t87A-4stdA:
undetectable		 1t87A-4stdA:
18.27
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.
1T88_B_CAMB2422_0
(CYTOCHROME P450-CAM)		 4std SCYTALONE
DEHYDRATASE
(Magnaporthe
grisea) 		4 / 5 PHE A  53
TYR A  50
VAL A  75
VAL A 108
 None
BFS  A 173 (-4.3A)
BFS  A 173 (-4.5A)
BFS  A 173 ( 4.4A)
 1.03A 1t88B-4stdA:
undetectable		 1t88B-4stdA:
18.27
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.
1TUV_A_VK3A4558_1
(PROTEIN YGIN)		 4mni TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT
(Polaromonas
sp.
JS666) 		4 / 7 TYR A 270
GLU A 274
TYR A  44
ILE A 211
 None
None
173  A 401 (-4.8A)
None
 1.15A 1tuvA-4mniA:
undetectable		 1tuvA-4mniA:
14.67
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.
1UTT_A_HAEA1265_1
(MACROPHAGE
METALLOELASTASE)		 2y0o PROBABLE D-LYXOSE
KETOL-ISOMERASE
(Bacillus
subtilis) 		4 / 4 HIS A 137
GLU A  82
HIS A  71
HIS A  69
 ZN  A1173 (-3.4A)
ZN  A1173 (-2.6A)
ZN  A1173 (-3.4A)
ZN  A1173 (-3.6A)
 1.09A 1uttA-2y0oA:
undetectable		 1uttA-2y0oA:
19.90
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.
1UTZ_A_HAEA1267_1
(MACROPHAGE
METALLOELASTASE)		 2y0o PROBABLE D-LYXOSE
KETOL-ISOMERASE
(Bacillus
subtilis) 		4 / 4 HIS A 137
GLU A  82
HIS A  71
HIS A  69
 ZN  A1173 (-3.4A)
ZN  A1173 (-2.6A)
ZN  A1173 (-3.4A)
ZN  A1173 (-3.6A)
 1.04A 1utzA-2y0oA:
undetectable		 1utzA-2y0oA:
19.90
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.
1UTZ_B_HAEB1266_1
(MACROPHAGE
METALLOELASTASE)		 2y0o PROBABLE D-LYXOSE
KETOL-ISOMERASE
(Bacillus
subtilis) 		4 / 4 HIS A 137
GLU A  82
HIS A  71
HIS A  69
 ZN  A1173 (-3.4A)
ZN  A1173 (-2.6A)
ZN  A1173 (-3.4A)
ZN  A1173 (-3.6A)
 1.07A 1utzB-2y0oA:
undetectable		 1utzB-2y0oA:
19.90
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.
1V54_A_CUA517_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.53A 1v54A-2c11A:
undetectable		 1v54A-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V54_N_CUN517_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.54A 1v54N-2c11A:
undetectable		 1v54N-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V55_A_CUA517_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.56A 1v55A-2c11A:
undetectable		 1v55A-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V55_N_CUN517_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.57A 1v55N-2c11A:
undetectable		 1v55N-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1VHW_A_ADNA252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4g41 MTA/SAH NUCLEOSIDASE
(Streptococcus
pyogenes) 		5 / 11 VAL A 171
GLU A 172
MET A 173
GLU A 174
ILE A 158
 VAL  A 171 ( 0.6A)
GLU  A 172 ( 0.5A)
MET  A 173 ( 0.0A)
GLU  A 174 ( 0.6A)
ILE  A 158 ( 0.7A)
 0.76A 1vhwA-4g41A:
24.5
1vhwD-4g41A:
24.6		 1vhwA-4g41A:
24.82
1vhwD-4g41A:
24.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1VHW_C_ADNC252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4g41 MTA/SAH NUCLEOSIDASE
(Streptococcus
pyogenes) 		5 / 11 VAL A 171
GLU A 172
MET A 173
GLU A 174
ILE A 158
 VAL  A 171 ( 0.6A)
GLU  A 172 ( 0.5A)
MET  A 173 ( 0.0A)
GLU  A 174 ( 0.6A)
ILE  A 158 ( 0.7A)
 0.77A 1vhwC-4g41A:
24.6
1vhwE-4g41A:
24.6		 1vhwC-4g41A:
24.82
1vhwE-4g41A:
24.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1VHW_D_ADND252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4g41 MTA/SAH NUCLEOSIDASE
(Streptococcus
pyogenes) 		5 / 11 VAL A 171
GLU A 172
MET A 173
GLU A 174
ILE A 158
 VAL  A 171 ( 0.6A)
GLU  A 172 ( 0.5A)
MET  A 173 ( 0.0A)
GLU  A 174 ( 0.6A)
ILE  A 158 ( 0.7A)
 0.76A 1vhwA-4g41A:
24.5
1vhwD-4g41A:
24.6		 1vhwA-4g41A:
24.82
1vhwD-4g41A:
24.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1VHW_E_ADNE252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4g41 MTA/SAH NUCLEOSIDASE
(Streptococcus
pyogenes) 		5 / 11 VAL A 171
GLU A 172
MET A 173
GLU A 174
ILE A 158
 VAL  A 171 ( 0.6A)
GLU  A 172 ( 0.5A)
MET  A 173 ( 0.0A)
GLU  A 174 ( 0.6A)
ILE  A 158 ( 0.7A)
 0.77A 1vhwC-4g41A:
24.6
1vhwE-4g41A:
24.6		 1vhwC-4g41A:
24.82
1vhwE-4g41A:
24.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W2Z_A_CUA701_0
(AMINE OXIDASE,
COPPER CONTAINING)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 520
HIS A 522
HIS A 684
 CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
CU  A1737 (-3.1A)
 0.26A 1w2zA-2c11A:
44.8		 1w2zA-2c11A:
25.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W2Z_B_CUB701_0
(AMINE OXIDASE,
COPPER CONTAINING)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 520
HIS A 522
HIS A 684
 CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
CU  A1737 (-3.1A)
 0.26A 1w2zB-2c11A:
44.7		 1w2zB-2c11A:
25.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W2Z_C_CUC701_0
(AMINE OXIDASE,
COPPER CONTAINING)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 520
HIS A 522
HIS A 684
 CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
CU  A1737 (-3.1A)
 0.26A 1w2zC-2c11A:
44.8		 1w2zC-2c11A:
25.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W2Z_D_CUD701_0
(AMINE OXIDASE,
COPPER CONTAINING)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 520
HIS A 522
HIS A 684
 CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
CU  A1737 (-3.1A)
 0.27A 1w2zD-2c11A:
45.3		 1w2zD-2c11A:
25.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1WRL_F_TFPF209_1
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		 4ar9 COLLAGENASE COLT
(Clostridium
tetani) 		5 / 10 GLU A 503
LEU A 476
GLN A 472
GLU A 466
SER A 508
 None
None
None
ZN  A1731 (-3.9A)
None
 1.32A 1wrlE-4ar9A:
undetectable
1wrlF-4ar9A:
undetectable		 1wrlE-4ar9A:
13.48
1wrlF-4ar9A:
13.48
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.
1YRC_A_CAMA420_0
(CYTOCHROME P450-CAM)		 4std SCYTALONE
DEHYDRATASE
(Magnaporthe
grisea) 		4 / 7 PHE A  53
TYR A  50
VAL A  75
VAL A 108
 None
BFS  A 173 (-4.3A)
BFS  A 173 (-4.5A)
BFS  A 173 ( 4.4A)
 1.03A 1yrcA-4stdA:
undetectable		 1yrcA-4stdA:
18.27
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.
1YRD_A_CAMA420_0
(CYTOCHROME P450-CAM)		 4std SCYTALONE
DEHYDRATASE
(Magnaporthe
grisea) 		4 / 7 PHE A  53
TYR A  50
VAL A  75
VAL A 108
 None
BFS  A 173 (-4.3A)
BFS  A 173 (-4.5A)
BFS  A 173 ( 4.4A)
 1.03A 1yrdA-4stdA:
undetectable		 1yrdA-4stdA:
18.27
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.
1Z35_A_2FAA300_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4g41 MTA/SAH NUCLEOSIDASE
(Streptococcus
pyogenes) 		5 / 10 VAL A 171
GLU A 172
MET A 173
GLU A 174
SER A 196
 VAL  A 171 ( 0.6A)
GLU  A 172 ( 0.5A)
MET  A 173 ( 0.0A)
GLU  A 174 ( 0.6A)
SER  A 196 ( 0.0A)
 0.69A 1z35A-4g41A:
23.2		 1z35A-4g41A:
24.03
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.
1Z37_A_ADNA300_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4g41 MTA/SAH NUCLEOSIDASE
(Streptococcus
pyogenes) 		5 / 9 GLY A  78
GLU A 172
MET A 173
GLU A 174
SER A 196
 GLY  A  78 ( 0.0A)
GLU  A 172 ( 0.5A)
MET  A 173 ( 0.0A)
GLU  A 174 ( 0.6A)
SER  A 196 ( 0.0A)
 0.80A 1z37A-4g41A:
23.1		 1z37A-4g41A:
24.03
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.
1Z37_A_ADNA300_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4g41 MTA/SAH NUCLEOSIDASE
(Streptococcus
pyogenes) 		5 / 9 VAL A 171
GLU A 172
MET A 173
GLU A 174
SER A 196
 VAL  A 171 ( 0.6A)
GLU  A 172 ( 0.5A)
MET  A 173 ( 0.0A)
GLU  A 174 ( 0.6A)
SER  A 196 ( 0.0A)
 0.81A 1z37A-4g41A:
23.1		 1z37A-4g41A:
24.03
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.
2A3C_B_PNXB2434_1
(CHITINASE)		 1w6j LANOSTEROL SYNTHASE
(Homo
sapiens) 		4 / 6 TRP A 230
TYR A 530
PHE A 696
SER A 699
 None
None
R71  A1733 (-3.6A)
None
 1.39A 2a3cB-1w6jA:
undetectable		 2a3cB-1w6jA:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A8T_B_ADNB252_1
(U8 SNORNA-BINDING
PROTEIN X29)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		4 / 8 HIS A 520
GLY A 517
PHE A 682
ASN A 470
 CU  A1737 (-3.4A)
None
None
PAQ  A 471 ( 3.3A)
 0.88A 2a8tB-2c11A:
undetectable		 2a8tB-2c11A:
14.60
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.
2AOJ_C_FRDC305_2
(POL POLYPROTEIN
PEPTIDE INHIBITOR)		 1o94 TRIMETHYLAMINE
DEHYDROGENASE
(Methylophilus
methylotrophus) 		5 / 7 LEU A 650
GLY A 668
ILE A 666
VAL A 395
ILE A 485
 ADP  A1731 ( 4.6A)
None
None
ADP  A1731 (-4.7A)
None
 0.95A 2aojB-1o94A:
undetectable		 2aojB-1o94A:
10.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AVO_B_MK1B902_1
(POL POLYPROTEIN)		 1o94 TRIMETHYLAMINE
DEHYDROGENASE
(Methylophilus
methylotrophus) 		5 / 9 LEU A 650
GLY A 668
ILE A 666
VAL A 395
ILE A 485
 ADP  A1731 ( 4.6A)
None
None
ADP  A1731 (-4.7A)
None
 1.02A 2avoA-1o94A:
undetectable		 2avoA-1o94A:
10.28
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.
2C6N_A_LPRA705_1
(ANGIOTENSIN-CONVERTI
NG ENZYME, SOMATIC
ISOFORM)		 4ar9 COLLAGENASE COLT
(Clostridium
tetani) 		5 / 12 HIS A 465
GLU A 466
HIS A 469
GLU A 499
TYR A 548
 ZN  A1731 (-3.3A)
ZN  A1731 (-3.9A)
ZN  A1731 (-3.2A)
ZN  A1731 (-2.6A)
None
 0.59A 2c6nA-4ar9A:
4.4		 2c6nA-4ar9A:
20.10
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.
2C6N_B_LPRB705_1
(ANGIOTENSIN-CONVERTI
NG ENZYME, SOMATIC
ISOFORM)		 4ar9 COLLAGENASE COLT
(Clostridium
tetani) 		5 / 12 HIS A 465
GLU A 466
HIS A 469
GLU A 499
TYR A 548
 ZN  A1731 (-3.3A)
ZN  A1731 (-3.9A)
ZN  A1731 (-3.2A)
ZN  A1731 (-2.6A)
None
 0.66A 2c6nB-4ar9A:
4.2		 2c6nB-4ar9A:
20.10
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.
2CEO_B_T44B1395_1
(THYROXINE-BINDING
GLOBULIN)		 4jbe GAMMA-GLUTAMYL
PHOSPHATE REDUCTASE
(Saccharomonospor
a
viridis) 		5 / 10 ALA A  34
LEU A 162
SER A 173
LEU A 170
ARG A  41
 ALA  A  34 ( 0.0A)
LEU  A 162 ( 0.6A)
SER  A 173 ( 0.0A)
LEU  A 170 ( 0.6A)
ARG  A  41 ( 0.6A)
 1.35A 2ceoB-4jbeA:
undetectable		 2ceoB-4jbeA:
22.67
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.
2CPP_A_CAMA422_0
(CYTOCHROME P450-CAM)		 4std SCYTALONE
DEHYDRATASE
(Magnaporthe
grisea) 		4 / 7 PHE A  53
TYR A  50
VAL A  75
VAL A 108
 None
BFS  A 173 (-4.3A)
BFS  A 173 (-4.5A)
BFS  A 173 ( 4.4A)
 1.07A 2cppA-4stdA:
undetectable		 2cppA-4stdA:
18.27
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.
2DTT_E_H4BE1004_1
(HYPOTHETICAL PROTEIN
PH0634)		 2y0o PROBABLE D-LYXOSE
KETOL-ISOMERASE
(Bacillus
subtilis) 		5 / 11 LEU A  44
HIS A 137
HIS A  69
HIS A  71
GLU A  82
 None
ZN  A1173 (-3.4A)
ZN  A1173 (-3.6A)
ZN  A1173 (-3.4A)
ZN  A1173 (-2.6A)
 1.01A 2dttD-2y0oA:
undetectable
2dttE-2y0oA:
undetectable		 2dttD-2y0oA:
20.93
2dttE-2y0oA:
20.93
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.
2DYR_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.52A 2dyrA-2c11A:
undetectable		 2dyrA-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DYR_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.54A 2dyrN-2c11A:
undetectable		 2dyrN-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DYS_A_CUA601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.49A 2dysA-2c11A:
undetectable		 2dysA-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DYS_N_CUN601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.45A 2dysN-2c11A:
undetectable		 2dysN-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIJ_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.53A 2eijA-2c11A:
undetectable		 2eijA-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIJ_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.55A 2eijN-2c11A:
undetectable		 2eijN-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIK_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.51A 2eikA-2c11A:
undetectable		 2eikA-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIK_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.55A 2eikN-2c11A:
undetectable		 2eikN-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIL_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.49A 2eilA-2c11A:
undetectable		 2eilA-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIL_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.54A 2eilN-2c11A:
undetectable		 2eilN-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIM_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.58A 2eimA-2c11A:
undetectable		 2eimA-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIM_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.54A 2eimN-2c11A:
undetectable		 2eimN-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIN_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.44A 2einA-2c11A:
undetectable		 2einA-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIN_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.56A 2einN-2c11A:
undetectable		 2einN-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FEU_A_CAMA1420_0
(CYTOCHROME P450-CAM)		 4std SCYTALONE
DEHYDRATASE
(Magnaporthe
grisea) 		4 / 6 PHE A  53
TYR A  50
VAL A  75
VAL A 108
 None
BFS  A 173 (-4.3A)
BFS  A 173 (-4.5A)
BFS  A 173 ( 4.4A)
 1.02A 2feuA-4stdA:
undetectable		 2feuA-4stdA:
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.
2FEU_B_CAMB1421_0
(CYTOCHROME P450-CAM)		 4std SCYTALONE
DEHYDRATASE
(Magnaporthe
grisea) 		4 / 7 PHE A  53
TYR A  50
VAL A  75
VAL A 108
 None
BFS  A 173 (-4.3A)
BFS  A 173 (-4.5A)
BFS  A 173 ( 4.4A)
 1.03A 2feuB-4stdA:
undetectable		 2feuB-4stdA:
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.
2GLU_A_SAMA301_0
(YCGJ)		 1o94 TRIMETHYLAMINE
DEHYDROGENASE
(Methylophilus
methylotrophus) 		5 / 12 GLY A 401
GLY A 688
HIS A 689
THR A 487
ARG A 406
 None
None
None
ADP  A1731 (-4.2A)
None
 1.00A 2gluA-1o94A:
4.7		 2gluA-1o94A:
16.53
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.
2HU6_A_HAEA269_1
(MACROPHAGE
METALLOELASTASE)		 2y0o PROBABLE D-LYXOSE
KETOL-ISOMERASE
(Bacillus
subtilis) 		4 / 4 HIS A 137
GLU A  82
HIS A  71
HIS A  69
 ZN  A1173 (-3.4A)
ZN  A1173 (-2.6A)
ZN  A1173 (-3.4A)
ZN  A1173 (-3.6A)
 1.04A 2hu6A-2y0oA:
undetectable		 2hu6A-2y0oA:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IJ7_D_TPFD2473_1
(CYTOCHROME P450 121)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		5 / 10 THR A 156
VAL A 155
ALA A 126
SER A  98
PHE A 344
 NAG  A1730 ( 4.3A)
None
None
None
None
 1.35A 2ij7D-2c11A:
0.0		 2ij7D-2c11A:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_A_097A1001_1
(ADAMTS-1)		 5d7w SERRALYSIN
(Serratia
marcescens) 		5 / 9 THR A 173
HIS A 176
GLU A 177
HIS A 180
HIS A 186
 THR  A 173 ( 0.8A)
HIS  A 176 (-1.0A)
GLU  A 177 ( 0.6A)
HIS  A 180 (-1.0A)
HIS  A 186 (-1.0A)
 0.40A 2jihA-5d7wA:
7.0		 2jihA-5d7wA:
20.04
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.
2JIH_B_097B1001_1
(ADAMTS-1)		 5d7w SERRALYSIN
(Serratia
marcescens) 		5 / 8 THR A 173
HIS A 176
GLU A 177
HIS A 180
HIS A 186
 THR  A 173 ( 0.8A)
HIS  A 176 (-1.0A)
GLU  A 177 ( 0.6A)
HIS  A 180 (-1.0A)
HIS  A 186 (-1.0A)
 0.37A 2jihB-5d7wA:
6.8		 2jihB-5d7wA:
20.04
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.
2M56_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		 4std SCYTALONE
DEHYDRATASE
(Magnaporthe
grisea) 		4 / 5 PHE A  53
TYR A  50
VAL A  75
VAL A 108
 None
BFS  A 173 (-4.3A)
BFS  A 173 (-4.5A)
BFS  A 173 ( 4.4A)
 0.98A 2m56A-4stdA:
undetectable		 2m56A-4stdA:
18.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNK_A_ROCA401_2
(PROTEASE)		 2q0q ARYL ESTERASE
(Mycolicibacteriu
m
smegmatis) 		3 / 3 ARG A  33
VAL A  19
THR A  25
 GOL  A1730 (-2.9A)
None
None
 0.84A 2nnkA-2q0qA:
undetectable		 2nnkA-2q0qA:
18.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NYR_B_SVRB401_1
(NAD-DEPENDENT
DEACETYLASE
SIRTUIN-5)		 1c8x ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE H
(Streptomyces
plicatus) 		5 / 12 ALA A  45
ALA A 173
TYR A 136
ILE A  48
LEU A 156
 ALA  A  45 ( 0.0A)
ALA  A 173 ( 0.0A)
TYR  A 136 ( 1.3A)
ILE  A  48 ( 0.6A)
LEU  A 156 ( 0.6A)
 1.05A 2nyrA-1c8xA:
undetectable		 2nyrA-1c8xA:
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.
2OKC_A_SAMA500_0
(TYPE I RESTRICTION
ENZYME STYSJI M
PROTEIN)		 2xw7 DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 TYR A  55
ILE A  15
GLY A  51
GLY A 114
VAL A  72
 None
NDP  A1173 (-4.4A)
NDP  A1173 (-3.4A)
NDP  A1173 (-3.1A)
None
 1.08A 2okcA-2xw7A:
undetectable		 2okcA-2xw7A:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OKC_B_SAMB500_0
(TYPE I RESTRICTION
ENZYME STYSJI M
PROTEIN)		 2xw7 DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 TYR A  55
ILE A  15
GLY A  51
GLY A 114
VAL A  72
 None
NDP  A1173 (-4.4A)
NDP  A1173 (-3.4A)
NDP  A1173 (-3.1A)
None
 1.07A 2okcB-2xw7A:
undetectable		 2okcB-2xw7A:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OQE_A_CUA801_0
(PEROXISOMAL COPPER
AMINE OXIDASE)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 520
HIS A 522
HIS A 684
 CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
CU  A1737 (-3.1A)
 0.20A 2oqeA-2c11A:
42.3		 2oqeA-2c11A:
24.87
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.
2OQE_B_CUB801_0
(PEROXISOMAL COPPER
AMINE OXIDASE)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 520
HIS A 522
HIS A 684
 CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
CU  A1737 (-3.1A)
 0.20A 2oqeB-2c11A:
41.9		 2oqeB-2c11A:
24.87
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.
2OQE_C_CUC801_0
(PEROXISOMAL COPPER
AMINE OXIDASE)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 520
HIS A 522
HIS A 684
 CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
CU  A1737 (-3.1A)
 0.20A 2oqeC-2c11A:
42.3		 2oqeC-2c11A:
24.87
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.
2OQE_D_CUD801_0
(PEROXISOMAL COPPER
AMINE OXIDASE)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 520
HIS A 522
HIS A 684
 CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
CU  A1737 (-3.1A)
 0.21A 2oqeD-2c11A:
42.0		 2oqeD-2c11A:
24.87
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.
2OQE_F_CUF801_0
(PEROXISOMAL COPPER
AMINE OXIDASE)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 520
HIS A 522
HIS A 684
 CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
CU  A1737 (-3.1A)
 0.21A 2oqeF-2c11A:
42.0		 2oqeF-2c11A:
24.87
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.
2OW9_A_HAEA502_1
(COLLAGENASE 3)		 2y0o PROBABLE D-LYXOSE
KETOL-ISOMERASE
(Bacillus
subtilis) 		5 / 6 LEU A  58
HIS A 137
GLU A  82
HIS A  71
HIS A  69
 None
ZN  A1173 (-3.4A)
ZN  A1173 (-2.6A)
ZN  A1173 (-3.4A)
ZN  A1173 (-3.6A)
 0.98A 2ow9A-2y0oA:
undetectable		 2ow9A-2y0oA:
19.05
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.
2OW9_B_HAEB502_1
(COLLAGENASE 3)		 2y0o PROBABLE D-LYXOSE
KETOL-ISOMERASE
(Bacillus
subtilis) 		4 / 4 HIS A 137
GLU A  82
HIS A  71
HIS A  69
 ZN  A1173 (-3.4A)
ZN  A1173 (-2.6A)
ZN  A1173 (-3.4A)
ZN  A1173 (-3.6A)
 1.04A 2ow9B-2y0oA:
undetectable		 2ow9B-2y0oA:
19.05
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.
2OXT_B_SAMB300_0
(NUCLEOSIDE-2'-O-METH
YLTRANSFERASE)		 1o94 TRIMETHYLAMINE
DEHYDROGENASE
(Methylophilus
methylotrophus) 		5 / 12 GLY A 488
GLY A 688
GLY A 401
GLY A 398
LEU A 408
 ADP  A1731 (-3.1A)
None
None
ADP  A1731 (-3.4A)
None
 0.84A 2oxtB-1o94A:
4.2		 2oxtB-1o94A:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OXT_C_SAMC300_1
(NUCLEOSIDE-2'-O-METH
YLTRANSFERASE)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		4 / 4 SER A 220
GLY A 221
HIS A 160
ASP A 154
 None
CU  A1742 ( 4.5A)
CU  A1741 (-3.5A)
NAG  A1731 ( 4.1A)
 1.26A 2oxtC-2c11A:
undetectable		 2oxtC-2c11A:
16.44
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.
2OXT_C_SAMC300_1
(NUCLEOSIDE-2'-O-METH
YLTRANSFERASE)		 4c1o BETA-XYLOSIDASE
(Parageobacillus
thermoglucosidas
ius) 		4 / 4 SER A 444
GLY A 441
HIS A 448
ASP A 489
 None
GOL  A1746 ( 3.1A)
None
NA  A1731 (-3.2A)
 1.32A 2oxtC-4c1oA:
undetectable		 2oxtC-4c1oA:
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.
2OZR_C_HAEC3001_1
(COLLAGENASE 3)		 2y0o PROBABLE D-LYXOSE
KETOL-ISOMERASE
(Bacillus
subtilis) 		4 / 4 HIS A 137
GLU A  82
HIS A  71
HIS A  69
 ZN  A1173 (-3.4A)
ZN  A1173 (-2.6A)
ZN  A1173 (-3.4A)
ZN  A1173 (-3.6A)
 1.03A 2ozrC-2y0oA:
undetectable		 2ozrC-2y0oA:
19.05
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.
2OZR_D_HAED3002_1
(COLLAGENASE 3)		 2y0o PROBABLE D-LYXOSE
KETOL-ISOMERASE
(Bacillus
subtilis) 		4 / 4 HIS A 137
GLU A  82
HIS A  71
HIS A  69
 ZN  A1173 (-3.4A)
ZN  A1173 (-2.6A)
ZN  A1173 (-3.4A)
ZN  A1173 (-3.6A)
 1.04A 2ozrD-2y0oA:
undetectable		 2ozrD-2y0oA:
19.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2PNC_A_CLUA808_1
(COPPER AMINE
OXIDASE, LIVER
ISOZYME)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		6 / 7 ALA A 370
TYR A 372
TYR A 384
ASP A 386
TYR A 473
HIS A 522
 PAQ  A 471 ( 3.2A)
None
PAQ  A 471 ( 3.6A)
PAQ  A 471 ( 2.6A)
PAQ  A 471 ( 4.5A)
CU  A1737 (-3.1A)
 0.32A 2pncA-2c11A:
55.2		 2pncA-2c11A:
81.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2PNC_B_CLUB809_1
(COPPER AMINE
OXIDASE, LIVER
ISOZYME)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		5 / 6 ALA A 370
TYR A 384
ASP A 386
TYR A 473
HIS A 522
 PAQ  A 471 ( 3.2A)
PAQ  A 471 ( 3.6A)
PAQ  A 471 ( 2.6A)
PAQ  A 471 ( 4.5A)
CU  A1737 (-3.1A)
 0.31A 2pncB-2c11A:
58.1		 2pncB-2c11A:
81.56
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.
2PYN_A_1UNA1001_3
(PROTEASE RETROPEPSIN)		 2y6g XYLANASE
(Rhodothermus
marinus) 		3 / 3 ASP A  29
THR A  13
PRO A  14
 BGC  A1173 (-3.7A)
None
None
 0.68A 2pynB-2y6gA:
undetectable		 2pynB-2y6gA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QAK_A_1UNA1001_4
(PROTEASE RETROPEPSIN)		 2y6g XYLANASE
(Rhodothermus
marinus) 		3 / 3 ASP A  29
THR A  13
PRO A  14
 BGC  A1173 (-3.7A)
None
None
 0.67A 2qakB-2y6gA:
undetectable		 2qakB-2y6gA:
17.44
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.
2QBL_A_CAMA517_0
(CYTOCHROME P450-CAM)		 4std SCYTALONE
DEHYDRATASE
(Magnaporthe
grisea) 		4 / 7 PHE A  53
TYR A  50
VAL A  75
VAL A 108
 None
BFS  A 173 (-4.3A)
BFS  A 173 (-4.5A)
BFS  A 173 ( 4.4A)
 0.98A 2qblA-4stdA:
undetectable		 2qblA-4stdA:
18.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2R6V_A_NCAA174_0
(UNCHARACTERIZED
PROTEIN PH0856)		 3zog FMN-BINDING PROTEIN
(Pyrococcus
horikoshii) 		6 / 6 TYR A   8
HIS A  -7
ASP A  29
TRP A  30
ARG A  49
HIS A 124
 None
A2Q  A 200 (-4.2A)
FMN  A 173 (-3.3A)
A2Q  A 200 ( 3.3A)
FMN  A 173 ( 3.5A)
A2Q  A 200 ( 3.8A)
 0.22A 2r6vA-3zogA:
34.0		 2r6vA-3zogA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2UZ2_A_ACTA1123_0
(XENAVIDIN)		 4std SCYTALONE
DEHYDRATASE
(Magnaporthe
grisea) 		4 / 7 ASN A 131
LEU A 106
SER A 129
VAL A 108
 BFS  A 173 (-3.4A)
BFS  A 173 (-4.5A)
BFS  A 173 (-3.3A)
BFS  A 173 ( 4.4A)
 1.06A 2uz2A-4stdA:
undetectable		 2uz2A-4stdA:
17.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V0M_A_KLNA1501_1
(CYTOCHROME P450 3A4)		 4c1o BETA-XYLOSIDASE
(Parageobacillus
thermoglucosidas
ius) 		5 / 10 ASP A 371
ARG A 715
ILE A 702
LEU A 721
THR A 718
 None
GOL  A1737 (-3.3A)
None
None
None
 1.21A 2v0mA-4c1oA:
undetectable		 2v0mA-4c1oA:
20.38
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.
2VL2_A_BEZA1162_0
(PEROXIREDOXIN-5)		 2c7l PHYCOERYTHROCYANIN
BETA CHAIN
(Mastigocladus
laminosus) 		5 / 10 THR B 122
PRO B 123
GLY B 124
LEU B  86
GLY B 130
 CYC  B1173 (-3.5A)
None
None
CYC  B1173 (-4.1A)
None
 1.08A 2vl2A-2c7lB:
undetectable
2vl2C-2c7lB:
undetectable		 2vl2A-2c7lB:
22.06
2vl2C-2c7lB:
22.06
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.
2W0Q_A_CUA801_0
(COPPER AMINE OXIDASE)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 520
HIS A 522
HIS A 684
 CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
CU  A1737 (-3.1A)
 0.25A 2w0qA-2c11A:
40.2		 2w0qA-2c11A:
25.82
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.
2W0Q_B_CUB801_0
(COPPER AMINE OXIDASE)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 520
HIS A 522
HIS A 684
 CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
CU  A1737 (-3.1A)
 0.25A 2w0qB-2c11A:
42.1		 2w0qB-2c11A:
25.82
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.
2WEK_A_DIFA1373_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		 4mni TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT
(Polaromonas
sp.
JS666) 		4 / 8 SER A 170
PHE A  77
TYR A 173
ASN A  93
 173  A 401 (-2.6A)
None
173  A 401 (-4.4A)
None
 1.06A 2wekA-4mniA:
undetectable		 2wekA-4mniA:
23.06
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.
2WEK_B_DIFB1373_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		 4mni TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT
(Polaromonas
sp.
JS666) 		4 / 8 SER A 170
PHE A  77
TYR A 173
ASN A  93
 173  A 401 (-2.6A)
None
173  A 401 (-4.4A)
None
 1.04A 2wekB-4mniA:
undetectable		 2wekB-4mniA:
23.06
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.
2X2I_D_QPSD1050_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 2xn1 ALPHA-GALACTOSIDASE
(Lactobacillus
acidophilus) 		5 / 12 GLN A 449
ASN A 338
ASP A 370
ASP A 482
HIS A 203
 None
None
TRS  A1733 (-2.7A)
TRS  A1733 (-3.2A)
GOL  A1734 ( 4.4A)
 1.19A 2x2iD-2xn1A:
17.3		 2x2iD-2xn1A:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X8Z_A_X8ZA1615_1
(ANGIOTENSIN
CONVERTING ENZYME)		 4ar9 COLLAGENASE COLT
(Clostridium
tetani) 		5 / 11 HIS A 465
GLU A 466
HIS A 469
GLU A 499
TYR A 548
 ZN  A1731 (-3.3A)
ZN  A1731 (-3.9A)
ZN  A1731 (-3.2A)
ZN  A1731 (-2.6A)
None
 0.60A 2x8zA-4ar9A:
5.3		 2x8zA-4ar9A:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X91_A_LPRA1615_1
(ANGIOTENSIN
CONVERTING ENZYME)		 4ar9 COLLAGENASE COLT
(Clostridium
tetani) 		5 / 12 HIS A 465
GLU A 466
HIS A 469
GLU A 499
TYR A 548
 ZN  A1731 (-3.3A)
ZN  A1731 (-3.9A)
ZN  A1731 (-3.2A)
ZN  A1731 (-2.6A)
None
 0.63A 2x91A-4ar9A:
3.4		 2x91A-4ar9A:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y69_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.60A 2y69A-2c11A:
undetectable		 2y69A-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y69_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.63A 2y69N-2c11A:
undetectable		 2y69N-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7H_B_SAMB530_0
(TYPE I RESTRICTION
ENZYME ECOKI M
PROTEIN)		 4umv ZINC-TRANSPORTING
ATPASE
(Shigella
sonnei) 		5 / 12 THR A 583
ILE A 581
GLY A 439
THR A 440
LEU A 477
 BEF  A1732 (-4.2A)
None
MG  A1731 ( 4.6A)
None
None
 0.97A 2y7hB-4umvA:
undetectable		 2y7hB-4umvA:
19.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7H_C_SAMC530_0
(TYPE I RESTRICTION
ENZYME ECOKI M
PROTEIN)		 4umv ZINC-TRANSPORTING
ATPASE
(Shigella
sonnei) 		5 / 12 THR A 583
ILE A 581
GLY A 439
THR A 440
LEU A 477
 BEF  A1732 (-4.2A)
None
MG  A1731 ( 4.6A)
None
None
 0.97A 2y7hC-4umvA:
undetectable		 2y7hC-4umvA:
19.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZAW_A_CAMA422_0
(CYTOCHROME P450-CAM)		 4std SCYTALONE
DEHYDRATASE
(Magnaporthe
grisea) 		4 / 6 PHE A  53
TYR A  50
VAL A  75
VAL A 108
 None
BFS  A 173 (-4.3A)
BFS  A 173 (-4.5A)
BFS  A 173 ( 4.4A)
 1.08A 2zawA-4stdA:
undetectable		 2zawA-4stdA:
18.48
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.
2ZAX_A_CAMA422_0
(CYTOCHROME P450-CAM)		 4std SCYTALONE
DEHYDRATASE
(Magnaporthe
grisea) 		4 / 7 PHE A  53
TYR A  50
VAL A  75
VAL A 108
 None
BFS  A 173 (-4.3A)
BFS  A 173 (-4.5A)
BFS  A 173 ( 4.4A)
 1.04A 2zaxA-4stdA:
undetectable		 2zaxA-4stdA:
18.48
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.
2ZUI_A_CAMA422_0
(CAMPHOR
5-MONOOXYGENASE)		 4std SCYTALONE
DEHYDRATASE
(Magnaporthe
grisea) 		4 / 6 PHE A  53
TYR A  50
VAL A  75
VAL A 108
 None
BFS  A 173 (-4.3A)
BFS  A 173 (-4.5A)
BFS  A 173 ( 4.4A)
 1.05A 2zuiA-4stdA:
undetectable		 2zuiA-4stdA:
17.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZW9_B_SAMB801_0
(LEUCINE CARBOXYL
METHYLTRANSFERASE 2)		 4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP
(Thermotoga
maritima) 		5 / 12 GLY A 195
GLY A 239
ASP A 190
ASP A 692
GLU A  53
 None
None
None
MG  A1731 ( 2.4A)
None
 1.20A 2zw9B-4av6A:
undetectable		 2zw9B-4av6A:
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.
2ZXW_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.58A 2zxwA-2c11A:
undetectable		 2zxwA-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZXW_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.56A 2zxwN-2c11A:
undetectable		 2zxwN-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3A51_E_VDYE6178_1
(VITAMIN D
HYDROXYLASE)		 2pnn TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 1
(Rattus
norvegicus) 		5 / 12 THR A 156
ILE A 173
ILE A 207
ALA A 208
LEU A 165
 THR  A 156 ( 0.8A)
ILE  A 173 ( 0.6A)
ILE  A 207 ( 0.7A)
ALA  A 208 ( 0.0A)
LEU  A 165 ( 0.6A)
 1.18A 3a51E-2pnnA:
undetectable		 3a51E-2pnnA:
21.41
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.
3ABK_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.58A 3abkA-2c11A:
undetectable		 3abkA-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ABK_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.60A 3abkN-2c11A:
undetectable		 3abkN-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ABL_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.55A 3ablA-2c11A:
undetectable		 3ablA-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ABL_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.53A 3ablN-2c11A:
undetectable		 3ablN-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ABM_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.60A 3abmA-2c11A:
undetectable		 3abmA-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ABM_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.56A 3abmN-2c11A:
undetectable		 3abmN-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ADS_B_IMNB3_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 1ryn PROTEIN CRS2
(Zea
mays) 		5 / 12 ILE A  38
LEU A  90
LEU A 176
VAL A 173
ILE A  54
 ILE  A  38 ( 0.6A)
LEU  A  90 ( 0.6A)
LEU  A 176 ( 0.6A)
VAL  A 173 ( 0.6A)
ILE  A  54 ( 0.7A)
 1.30A 3adsB-1rynA:
undetectable		 3adsB-1rynA:
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.
3ADX_B_IMNB3_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 1o94 TRIMETHYLAMINE
DEHYDROGENASE
(Methylophilus
methylotrophus) 		5 / 12 LEU A 393
GLY A 426
ALA A 405
ILE A 451
LEU A 463
 None
ADP  A1731 (-3.3A)
None
None
None
 0.97A 3adxB-1o94A:
undetectable		 3adxB-1o94A:
17.67
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.
3AG1_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.61A 3ag1A-2c11A:
undetectable		 3ag1A-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG1_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.63A 3ag1N-2c11A:
undetectable		 3ag1N-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG2_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.59A 3ag2A-2c11A:
undetectable		 3ag2A-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG2_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.59A 3ag2N-2c11A:
undetectable		 3ag2N-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG3_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.59A 3ag3A-2c11A:
undetectable		 3ag3A-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG3_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.60A 3ag3N-2c11A:
undetectable		 3ag3N-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG4_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.69A 3ag4A-2c11A:
undetectable		 3ag4A-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG4_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.67A 3ag4N-2c11A:
undetectable		 3ag4N-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AQI_A_CHDA2_0
(FERROCHELATASE)		 2xn1 ALPHA-GALACTOSIDASE
(Lactobacillus
acidophilus) 		4 / 6 ARG A  96
PRO A  64
GLY A  84
MET A  86
 None
None
GOL  A1738 (-2.7A)
GOL  A1738 (-4.6A)
 1.47A 3aqiA-2xn1A:
undetectable		 3aqiA-2xn1A:
17.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ASN_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.57A 3asnA-2c11A:
undetectable		 3asnA-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ASN_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.59A 3asnN-2c11A:
undetectable		 3asnN-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ASO_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.57A 3asoA-2c11A:
undetectable		 3asoA-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ASO_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.57A 3asoN-2c11A:
undetectable		 3asoN-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3B9M_A_SALA1200_1
(SERUM ALBUMIN)		 1o94 TRIMETHYLAMINE
DEHYDROGENASE
(Methylophilus
methylotrophus) 		4 / 5 ILE A 681
HIS A 427
ARG A 444
GLY A 398
 None
ADP  A1731 (-3.8A)
None
ADP  A1731 (-3.4A)
 1.18A 3b9mA-1o94A:
0.0		 3b9mA-1o94A:
21.06
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.
3BVD_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.71A 3bvdA-2c11A:
undetectable		 3bvdA-2c11A:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CKZ_A_ZMRA469_1
(NEURAMINIDASE)		 4ar9 COLLAGENASE COLT
(Clostridium
tetani) 		5 / 12 GLU A 503
TYR A 487
GLU A 498
GLU A 499
TYR A 548
 None
None
None
ZN  A1731 (-2.6A)
None
 1.48A 3ckzA-4ar9A:
undetectable		 3ckzA-4ar9A:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3D1Y_A_ROCA201_2
(HIV-1 PROTEASE)		 1o94 TRIMETHYLAMINE
DEHYDROGENASE
(Methylophilus
methylotrophus) 		5 / 9 LEU A 650
GLY A 668
ILE A 666
VAL A 395
ILE A 485
 ADP  A1731 ( 4.6A)
None
None
ADP  A1731 (-4.7A)
None
 0.94A 3d1yB-1o94A:
undetectable		 3d1yB-1o94A:
10.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3D2T_A_1FLA502_1
(TRANSTHYRETIN)		 3cf4 ACETYL-COA
DECARBOXYLASE/SYNTHA
SE ALPHA SUBUNIT
ACETYL-COA
DECARBOXYLASE/SYNTHA
SE EPSILON SUBUNIT
(Methanosarcina
barkeri) 		4 / 7 ALA G 127
LEU G 125
THR A  70
VAL A  68
 ACY  A 821 (-3.6A)
PEG  G 173 ( 4.0A)
None
ACY  A 821 ( 4.3A)
 0.64A 3d2tA-3cf4G:
undetectable		 3d2tA-3cf4G:
18.34
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.
3D2T_B_1FLB500_1
(TRANSTHYRETIN)		 3cf4 ACETYL-COA
DECARBOXYLASE/SYNTHA
SE ALPHA SUBUNIT
ACETYL-COA
DECARBOXYLASE/SYNTHA
SE EPSILON SUBUNIT
(Methanosarcina
barkeri) 		4 / 6 ALA G 127
LEU G 125
THR A  70
VAL A  68
 ACY  A 821 (-3.6A)
PEG  G 173 ( 4.0A)
None
ACY  A 821 ( 4.3A)
 0.60A 3d2tB-3cf4G:
undetectable		 3d2tB-3cf4G:
18.34
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.
3DTU_A_CUA1023_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.65A 3dtuA-2c11A:
undetectable		 3dtuA-2c11A:
21.65
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.
3DTU_C_CUC569_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.64A 3dtuC-2c11A:
undetectable		 3dtuC-2c11A:
21.65
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.
3E9X_A_NIMA1_1
(LACTOTRANSFERRIN')		 3kkw PUTATIVE
UNCHARACTERIZED
PROTEIN
(Pseudomonas
aeruginosa) 		4 / 4 GLU A  14
GLY A  11
THR A  10
GLU A   9
 EDO  A 173 (-4.9A)
EDO  A 179 (-3.7A)
None
None
 1.26A 3e9xA-3kkwA:
undetectable		 3e9xA-3kkwA:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EM6_A_017A200_1
(PROTEASE)		 1qjp OUTER MEMBRANE
PROTEIN A
(Escherichia
coli) 		5 / 8 GLY A  36
ALA A  37
ASP A  56
GLY A 165
LEU A 164
 None
C8E  A1176 (-3.7A)
None
None
C8E  A1173 ( 4.3A)
 1.25A 3em6A-1qjpA:
undetectable		 3em6A-1qjpA:
22.49
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.
3FWF_A_CAMA420_0
(CAMPHOR
5-MONOOXYGENASE)		 4std SCYTALONE
DEHYDRATASE
(Magnaporthe
grisea) 		4 / 7 PHE A  53
TYR A  50
VAL A  75
VAL A 108
 None
BFS  A 173 (-4.3A)
BFS  A 173 (-4.5A)
BFS  A 173 ( 4.4A)
 1.04A 3fwfA-4stdA:
undetectable		 3fwfA-4stdA:
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.
3FWG_A_CAMA420_0
(CAMPHOR
5-MONOOXYGENASE)		 4std SCYTALONE
DEHYDRATASE
(Magnaporthe
grisea) 		4 / 6 PHE A  53
TYR A  50
VAL A  75
VAL A 108
 None
BFS  A 173 (-4.3A)
BFS  A 173 (-4.5A)
BFS  A 173 ( 4.4A)
 1.04A 3fwgA-4stdA:
undetectable		 3fwgA-4stdA:
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.
3FWG_B_CAMB420_0
(CAMPHOR
5-MONOOXYGENASE)		 4std SCYTALONE
DEHYDRATASE
(Magnaporthe
grisea) 		4 / 7 PHE A  53
TYR A  50
VAL A  75
VAL A 108
 None
BFS  A 173 (-4.3A)
BFS  A 173 (-4.5A)
BFS  A 173 ( 4.4A)
 1.04A 3fwgB-4stdA:
undetectable		 3fwgB-4stdA:
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.
3FWJ_A_CAMA420_0
(CAMPHOR
5-MONOOXYGENASE)		 4std SCYTALONE
DEHYDRATASE
(Magnaporthe
grisea) 		4 / 7 PHE A  53
TYR A  50
VAL A  75
VAL A 108
 None
BFS  A 173 (-4.3A)
BFS  A 173 (-4.5A)
BFS  A 173 ( 4.4A)
 1.04A 3fwjA-4stdA:
undetectable		 3fwjA-4stdA:
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.
3G88_A_SAMA303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		 4umv ZINC-TRANSPORTING
ATPASE
(Shigella
sonnei) 		5 / 11 GLY A 627
GLY A 629
ASP A 628
THR A 438
ALA A 635
 None
MG  A1731 (-4.1A)
MG  A1731 ( 1.1A)
BEF  A1732 ( 3.7A)
None
 1.04A 3g88A-4umvA:
undetectable		 3g88A-4umvA:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G88_B_SAMB303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		 4umv ZINC-TRANSPORTING
ATPASE
(Shigella
sonnei) 		5 / 11 GLY A 627
GLY A 629
ASP A 628
THR A 438
ALA A 635
 None
MG  A1731 (-4.1A)
MG  A1731 ( 1.1A)
BEF  A1732 ( 3.7A)
None
 1.03A 3g88B-4umvA:
3.6		 3g88B-4umvA:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G89_A_SAMA303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		 4umv ZINC-TRANSPORTING
ATPASE
(Shigella
sonnei) 		5 / 12 GLY A 627
GLY A 629
ASP A 628
THR A 438
ALA A 635
 None
MG  A1731 (-4.1A)
MG  A1731 ( 1.1A)
BEF  A1732 ( 3.7A)
None
 1.02A 3g89A-4umvA:
undetectable		 3g89A-4umvA:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G89_B_SAMB303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		 4umv ZINC-TRANSPORTING
ATPASE
(Shigella
sonnei) 		5 / 11 GLY A 627
GLY A 629
ASP A 628
THR A 438
ALA A 635
 None
MG  A1731 (-4.1A)
MG  A1731 ( 1.1A)
BEF  A1732 ( 3.7A)
None
 1.02A 3g89B-4umvA:
undetectable		 3g89B-4umvA:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G8B_A_SAMA303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		 4umv ZINC-TRANSPORTING
ATPASE
(Shigella
sonnei) 		5 / 12 GLY A 627
GLY A 629
ASP A 628
THR A 438
ALA A 635
 None
MG  A1731 (-4.1A)
MG  A1731 ( 1.1A)
BEF  A1732 ( 3.7A)
None
 1.02A 3g8bA-4umvA:
undetectable		 3g8bA-4umvA:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G8B_B_SAMB303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		 4umv ZINC-TRANSPORTING
ATPASE
(Shigella
sonnei) 		5 / 12 GLY A 627
GLY A 629
ASP A 628
THR A 438
ALA A 635
 None
MG  A1731 (-4.1A)
MG  A1731 ( 1.1A)
BEF  A1732 ( 3.7A)
None
 1.00A 3g8bB-4umvA:
undetectable		 3g8bB-4umvA:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GWX_B_EPAB3_1
(PROTEIN (PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
(PPAR-DELTA)))		 1fxj UDP-N-ACETYLGLUCOSAM
INE
PYROPHOSPHORYLASE
(Escherichia
coli) 		5 / 12 THR A 170
THR A 130
GLU A 167
LEU A 173
ILE A 202
 THR  A 170 ( 0.8A)
THR  A 130 ( 0.8A)
GLU  A 167 ( 0.5A)
LEU  A 173 ( 0.6A)
ILE  A 202 ( 0.7A)
 1.22A 3gwxB-1fxjA:
undetectable		 3gwxB-1fxjA:
21.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HII_A_CUA801_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 520
HIS A 522
HIS A 684
 CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
CU  A1737 (-3.1A)
 0.17A 3hiiA-2c11A:
53.5		 3hiiA-2c11A:
39.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HII_B_CUB801_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 520
HIS A 522
HIS A 684
 CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
CU  A1737 (-3.1A)
 0.18A 3hiiB-2c11A:
51.4		 3hiiB-2c11A:
39.55
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.
3HLW_B_CE3B304_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 4mni TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT
(Polaromonas
sp.
JS666) 		4 / 5 ASN A  93
THR A 186
SER A 170
ARG A 174
 None
None
173  A 401 (-2.6A)
None
 1.46A 3hlwB-4mniA:
undetectable		 3hlwB-4mniA:
22.32
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.
3HY7_A_097A801_1
(A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 5)		 5d7w SERRALYSIN
(Serratia
marcescens) 		5 / 9 THR A 173
HIS A 176
GLU A 177
HIS A 180
HIS A 186
 THR  A 173 ( 0.8A)
HIS  A 176 (-1.0A)
GLU  A 177 ( 0.6A)
HIS  A 180 (-1.0A)
HIS  A 186 (-1.0A)
 0.32A 3hy7A-5d7wA:
7.7		 3hy7A-5d7wA:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HY7_B_097B801_1
(A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 5)		 5d7w SERRALYSIN
(Serratia
marcescens) 		5 / 9 THR A 173
HIS A 176
GLU A 177
HIS A 180
HIS A 186
 THR  A 173 ( 0.8A)
HIS  A 176 (-1.0A)
GLU  A 177 ( 0.6A)
HIS  A 180 (-1.0A)
HIS  A 186 (-1.0A)
 0.33A 3hy7B-5d7wA:
7.6		 3hy7B-5d7wA:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JZJ_A_ACRA405_1
(ACARBOSE/MALTOSE
BINDING PROTEIN GACH)		 2xn1 ALPHA-GALACTOSIDASE
(Lactobacillus
acidophilus) 		5 / 12 GLU A 608
GLY A 372
ASP A 552
ASP A 380
GLY A 532
 None
None
TRS  A1733 (-2.8A)
None
GOL  A1734 ( 3.3A)
 1.29A 3jzjA-2xn1A:
undetectable		 3jzjA-2xn1A:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K4V_B_ROCB201_2
(HIV-1 PROTEASE)		 2q0q ARYL ESTERASE
(Mycolicibacteriu
m
smegmatis) 		3 / 3 ARG A  33
VAL A  19
THR A  25
 GOL  A1730 (-2.9A)
None
None
 0.79A 3k4vA-2q0qA:
undetectable		 3k4vA-2q0qA:
18.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K4V_D_ROCD201_4
(HIV-1 PROTEASE)		 2q0q ARYL ESTERASE
(Mycolicibacteriu
m
smegmatis) 		3 / 3 ARG A  33
VAL A  19
THR A  25
 GOL  A1730 (-2.9A)
None
None
 0.76A 3k4vD-2q0qA:
undetectable		 3k4vD-2q0qA:
18.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEC_A_HAEA272_1
(COLLAGENASE 3)		 2y0o PROBABLE D-LYXOSE
KETOL-ISOMERASE
(Bacillus
subtilis) 		5 / 5 LEU A  58
HIS A 137
GLU A  82
HIS A  71
HIS A  69
 None
ZN  A1173 (-3.4A)
ZN  A1173 (-2.6A)
ZN  A1173 (-3.4A)
ZN  A1173 (-3.6A)
 1.02A 3kecA-2y0oA:
undetectable		 3kecA-2y0oA:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3L63_A_CAMA440_0
(CAMPHOR
5-MONOOXYGENASE)		 4std SCYTALONE
DEHYDRATASE
(Magnaporthe
grisea) 		4 / 7 PHE A  53
TYR A  50
VAL A  75
VAL A 108
 None
BFS  A 173 (-4.3A)
BFS  A 173 (-4.5A)
BFS  A 173 ( 4.4A)
 1.02A 3l63A-4stdA:
undetectable		 3l63A-4stdA:
18.27
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.
3LIK_A_HAEA302_1
(MACROPHAGE
METALLOELASTASE)		 2y0o PROBABLE D-LYXOSE
KETOL-ISOMERASE
(Bacillus
subtilis) 		4 / 5 HIS A 137
GLU A  82
HIS A  71
HIS A  69
 ZN  A1173 (-3.4A)
ZN  A1173 (-2.6A)
ZN  A1173 (-3.4A)
ZN  A1173 (-3.6A)
 1.04A 3likA-2y0oA:
undetectable		 3likA-2y0oA:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LIL_A_HAEA302_1
(MACROPHAGE
METALLOELASTASE)		 2y0o PROBABLE D-LYXOSE
KETOL-ISOMERASE
(Bacillus
subtilis) 		4 / 4 HIS A 137
GLU A  82
HIS A  71
HIS A  69
 ZN  A1173 (-3.4A)
ZN  A1173 (-2.6A)
ZN  A1173 (-3.4A)
ZN  A1173 (-3.6A)
 1.05A 3lilA-2y0oA:
undetectable		 3lilA-2y0oA:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LJG_A_HAEA301_1
(MACROPHAGE
METALLOELASTASE)		 2y0o PROBABLE D-LYXOSE
KETOL-ISOMERASE
(Bacillus
subtilis) 		4 / 5 HIS A 137
GLU A  82
HIS A  71
HIS A  69
 ZN  A1173 (-3.4A)
ZN  A1173 (-2.6A)
ZN  A1173 (-3.4A)
ZN  A1173 (-3.6A)
 1.02A 3ljgA-2y0oA:
undetectable		 3ljgA-2y0oA:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LKA_A_HAEA269_1
(MACROPHAGE
METALLOELASTASE)		 2y0o PROBABLE D-LYXOSE
KETOL-ISOMERASE
(Bacillus
subtilis) 		4 / 5 HIS A 137
GLU A  82
HIS A  71
HIS A  69
 ZN  A1173 (-3.4A)
ZN  A1173 (-2.6A)
ZN  A1173 (-3.4A)
ZN  A1173 (-3.6A)
 1.03A 3lkaA-2y0oA:
undetectable		 3lkaA-2y0oA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3M0W_E_P77E203_1
(PROTEIN S100-A4)		 2an1 PUTATIVE KINASE
(Salmonella
enterica) 		4 / 8 PHE A 170
SER A 173
LEU A 231
ASP A 257
 PHE  A 170 ( 1.3A)
SER  A 173 ( 0.0A)
LEU  A 231 ( 0.5A)
ASP  A 257 ( 0.6A)
 1.06A 3m0wE-2an1A:
undetectable
3m0wF-2an1A:
undetectable
3m0wG-2an1A:
undetectable
3m0wH-2an1A:
undetectable		 3m0wE-2an1A:
13.79
3m0wF-2an1A:
13.79
3m0wG-2an1A:
13.79
3m0wH-2an1A:
13.79
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.
3N2O_C_AG2C1002_1
(BIOSYNTHETIC
ARGININE
DECARBOXYLASE)		 4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP
(Thermotoga
maritima) 		4 / 8 HIS A 681
ASP A 228
ASP A 688
ASP A 660
 None
MG  A1729 (-3.6A)
MG  A1731 (-3.3A)
PO4  A1727 (-2.9A)
 0.97A 3n2oC-4av6A:
undetectable
3n2oD-4av6A:
undetectable		 3n2oC-4av6A:
23.03
3n2oD-4av6A:
23.03
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.
3N2O_C_AG2C1002_1
(BIOSYNTHETIC
ARGININE
DECARBOXYLASE)		 4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP
(Thermotoga
maritima) 		4 / 8 HIS A 681
ASP A 232
ASP A 688
ASP A 660
 None
MG  A1732 (-1.9A)
MG  A1731 (-3.3A)
PO4  A1727 (-2.9A)
 1.06A 3n2oC-4av6A:
undetectable
3n2oD-4av6A:
undetectable		 3n2oC-4av6A:
23.03
3n2oD-4av6A:
23.03
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.
3N2O_C_AG2C1002_1
(BIOSYNTHETIC
ARGININE
DECARBOXYLASE)		 4umv ZINC-TRANSPORTING
ATPASE
(Shigella
sonnei) 		4 / 8 SER A 285
ASP A 559
ASP A 628
ASP A 436
 None
None
MG  A1731 ( 1.1A)
BEF  A1732 ( 2.0A)
 0.91A 3n2oC-4umvA:
undetectable
3n2oD-4umvA:
undetectable		 3n2oC-4umvA:
21.35
3n2oD-4umvA:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N3I_A_ROCA201_2
(PROTEASE)		 1o94 TRIMETHYLAMINE
DEHYDROGENASE
(Methylophilus
methylotrophus) 		4 / 6 ILE A 695
ASP A 674
GLY A 688
VAL A 395
 None
ADP  A1731 (-3.2A)
None
ADP  A1731 (-4.7A)
 0.99A 3n3iA-1o94A:
undetectable		 3n3iA-1o94A:
15.63
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.
3NDT_A_ROCA101_2
(PROTEASE)		 2q0q ARYL ESTERASE
(Mycolicibacteriu
m
smegmatis) 		3 / 3 ARG A  33
VAL A  19
THR A  25
 GOL  A1730 (-2.9A)
None
None
 0.72A 3ndtA-2q0qA:
undetectable		 3ndtA-2q0qA:
18.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDU_D_ROCD100_3
(PROTEASE)		 2q0q ARYL ESTERASE
(Mycolicibacteriu
m
smegmatis) 		3 / 3 ARG A  33
VAL A  19
THR A  25
 GOL  A1730 (-2.9A)
None
None
 0.77A 3nduD-2q0qA:
undetectable		 3nduD-2q0qA:
18.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3O94_A_NCAA192_0
(NICOTINAMIDASE)		 2rhp THROMBOSPONDIN-2
(Homo
sapiens) 		5 / 11 ASP A 939
ASP A 937
HIS A 887
ILE A 954
SER A 955
 CA  A1173 ( 2.9A)
CA  A   2 ( 2.6A)
None
None
CA  A1173 (-2.9A)
 1.01A 3o94A-2rhpA:
undetectable		 3o94A-2rhpA:
15.88
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.
3O94_B_NCAB192_0
(NICOTINAMIDASE)		 2rhp THROMBOSPONDIN-2
(Homo
sapiens) 		5 / 11 ASP A 939
ASP A 937
HIS A 887
ILE A 954
SER A 955
 CA  A1173 ( 2.9A)
CA  A   2 ( 2.6A)
None
None
CA  A1173 (-2.9A)
 1.02A 3o94B-2rhpA:
undetectable		 3o94B-2rhpA:
15.88
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.
3O94_C_NCAC192_0
(NICOTINAMIDASE)		 2rhp THROMBOSPONDIN-2
(Homo
sapiens) 		5 / 11 ASP A 939
ASP A 937
HIS A 887
ILE A 954
SER A 955
 CA  A1173 ( 2.9A)
CA  A   2 ( 2.6A)
None
None
CA  A1173 (-2.9A)
 1.02A 3o94C-2rhpA:
undetectable		 3o94C-2rhpA:
15.88
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.
3O94_D_NCAD192_0
(NICOTINAMIDASE)		 2rhp THROMBOSPONDIN-2
(Homo
sapiens) 		5 / 11 ASP A 939
ASP A 937
HIS A 887
ILE A 954
SER A 955
 CA  A1173 ( 2.9A)
CA  A   2 ( 2.6A)
None
None
CA  A1173 (-2.9A)
 1.01A 3o94D-2rhpA:
undetectable		 3o94D-2rhpA:
15.88
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.
3OKX_B_SAMB201_2
(YAEB-LIKE PROTEIN
RPA0152)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		4 / 5 HIS A 525
SER A 645
ARG A 383
THR A 679
 None
None
CL  A1739 (-4.6A)
None
 1.35A 3okxB-2c11A:
0.0		 3okxB-2c11A:
12.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OY4_B_017B200_1
(HIV-1 PROTEASE)		 1o94 TRIMETHYLAMINE
DEHYDROGENASE
(Methylophilus
methylotrophus) 		5 / 11 LEU A 650
GLY A 668
ILE A 666
VAL A 395
ILE A 485
 ADP  A1731 ( 4.6A)
None
None
ADP  A1731 (-4.7A)
None
 0.96A 3oy4A-1o94A:
undetectable		 3oy4A-1o94A:
9.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZK_B_T44B128_1
(TRANSTHYRETIN)		 3cf4 ACETYL-COA
DECARBOXYLASE/SYNTHA
SE ALPHA SUBUNIT
ACETYL-COA
DECARBOXYLASE/SYNTHA
SE EPSILON SUBUNIT
(Methanosarcina
barkeri) 		4 / 7 ALA G 127
LEU G 125
THR A  70
VAL A  68
 ACY  A 821 (-3.6A)
PEG  G 173 ( 4.0A)
None
ACY  A 821 ( 4.3A)
 0.64A 3ozkB-3cf4G:
undetectable		 3ozkB-3cf4G:
18.34
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.
3RQW_C_ACHC323_0
(ELIC PENTAMERIC
LIGAND GATED ION
CHANNEL FROM ERWINIA
CHRYSANTHEMI)		 1w6j LANOSTEROL SYNTHASE
(Homo
sapiens) 		4 / 8 PHE A 195
GLU A 519
TYR A 237
LEU A 211
 None
None
C14  A1735 ( 4.4A)
None
 1.15A 3rqwC-1w6jA:
2.2
3rqwD-1w6jA:
2.4		 3rqwC-1w6jA:
16.55
3rqwD-1w6jA:
16.55
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.
3RQW_J_ACHJ323_0
(ELIC PENTAMERIC
LIGAND GATED ION
CHANNEL FROM ERWINIA
CHRYSANTHEMI)		 1w6j LANOSTEROL SYNTHASE
(Homo
sapiens) 		4 / 8 GLU A 519
TYR A 237
LEU A 211
PHE A 195
 None
C14  A1735 ( 4.4A)
None
None
 1.10A 3rqwF-1w6jA:
1.7
3rqwJ-1w6jA:
undetectable		 3rqwF-1w6jA:
16.55
3rqwJ-1w6jA:
16.55
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.
3S33_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.63A 3s33A-2c11A:
undetectable		 3s33A-2c11A:
21.76
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.
3S38_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.67A 3s38A-2c11A:
undetectable		 3s38A-2c11A:
21.76
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.
3S39_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.60A 3s39A-2c11A:
undetectable		 3s39A-2c11A:
21.76
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.
3S3A_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.68A 3s3aA-2c11A:
undetectable		 3s3aA-2c11A:
21.76
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.
3S3B_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.62A 3s3bA-2c11A:
undetectable		 3s3bA-2c11A:
21.76
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.
3S3C_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.65A 3s3cA-2c11A:
undetectable		 3s3cA-2c11A:
21.76
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.
3S3D_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.59A 3s3dA-2c11A:
undetectable		 3s3dA-2c11A:
21.76
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.
3SI7_D_ACTD4_0
(CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB
(Mycobacterium
tuberculosis) 		4 / 5 LEU A 122
LEU A 139
GLY A 138
GLY A 115
 None
None
None
COA  A1730 ( 3.9A)
 0.78A 3si7C-4b3iA:
undetectable
3si7D-4b3iA:
undetectable		 3si7C-4b3iA:
17.36
3si7D-4b3iA:
17.36
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.
3SUF_B_SUEB1201_3
(NS3 PROTEASE, NS4A
PROTEIN)		 4mni TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT
(Polaromonas
sp.
JS666) 		4 / 5 SER A 170
ARG A 168
TYR A 204
VAL A 184
 173  A 401 (-2.6A)
173  A 401 (-2.8A)
None
None
 1.28A 3sufC-4mniA:
undetectable		 3sufC-4mniA:
22.16
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.
3TL9_A_ROCA401_2
(PROTEASE)		 2q0q ARYL ESTERASE
(Mycolicibacteriu
m
smegmatis) 		3 / 3 ARG A  33
VAL A  19
THR A  25
 GOL  A1730 (-2.9A)
None
None
 0.82A 3tl9A-2q0qA:
undetectable		 3tl9A-2q0qA:
18.72
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.
3UAW_A_ADNA236_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4g41 MTA/SAH NUCLEOSIDASE
(Streptococcus
pyogenes) 		5 / 11 GLY A  78
GLU A 172
MET A 173
GLU A 174
SER A 196
 GLY  A  78 ( 0.0A)
GLU  A 172 ( 0.5A)
MET  A 173 ( 0.0A)
GLU  A 174 ( 0.6A)
SER  A 196 ( 0.0A)
 0.90A 3uawA-4g41A:
23.9		 3uawA-4g41A:
25.98
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.
3UAW_A_ADNA236_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4g41 MTA/SAH NUCLEOSIDASE
(Streptococcus
pyogenes) 		5 / 11 VAL A 171
GLU A 172
MET A 173
GLU A 174
ILE A 158
 VAL  A 171 ( 0.6A)
GLU  A 172 ( 0.5A)
MET  A 173 ( 0.0A)
GLU  A 174 ( 0.6A)
ILE  A 158 ( 0.7A)
 0.95A 3uawA-4g41A:
23.9		 3uawA-4g41A:
25.98
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.
3UAW_A_ADNA236_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4g41 MTA/SAH NUCLEOSIDASE
(Streptococcus
pyogenes) 		5 / 11 VAL A 171
GLU A 172
MET A 173
GLU A 174
SER A 196
 VAL  A 171 ( 0.6A)
GLU  A 172 ( 0.5A)
MET  A 173 ( 0.0A)
GLU  A 174 ( 0.6A)
SER  A 196 ( 0.0A)
 0.80A 3uawA-4g41A:
23.9		 3uawA-4g41A:
25.98
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.
3UAY_A_ADNA236_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4g41 MTA/SAH NUCLEOSIDASE
(Streptococcus
pyogenes) 		5 / 10 VAL A 171
GLU A 172
MET A 173
GLU A 174
ILE A 158
 VAL  A 171 ( 0.6A)
GLU  A 172 ( 0.5A)
MET  A 173 ( 0.0A)
GLU  A 174 ( 0.6A)
ILE  A 158 ( 0.7A)
 0.96A 3uayA-4g41A:
24.1		 3uayA-4g41A:
25.59
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.
3V4T_H_ACTH504_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 LYS A 638
GLU A 641
TRP A 677
 CA  A1738 (-2.7A)
CA  A1738 ( 3.9A)
None
 1.43A 3v4tH-2c11A:
undetectable		 3v4tH-2c11A:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3V8V_A_SAMA801_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE L)		 1o6b PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE
(Bacillus
subtilis) 		5 / 12 ILE A  22
GLY A  17
VAL A 142
PRO A  13
LEU A 154
 None
ADP  A 173 (-3.6A)
None
None
None
 1.12A 3v8vA-1o6bA:
2.3		 3v8vA-1o6bA:
13.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VYW_C_SAMC401_1
(MNMC2)		 1o94 TRIMETHYLAMINE
DEHYDROGENASE
(Methylophilus
methylotrophus) 		4 / 6 GLY A 401
ASP A 445
ASP A 419
ASN A 429
 None
None
ADP  A1731 (-2.7A)
None
 0.98A 3vywC-1o94A:
undetectable		 3vywC-1o94A:
17.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WG7_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.54A 3wg7A-2c11A:
undetectable		 3wg7A-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WG7_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.56A 3wg7N-2c11A:
undetectable		 3wg7N-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WQW_A_GCSA502_1
(CHITINASE)		 5me6 EUKARYOTIC
TRANSCRIPTION
INITIATION FACTOR 4E
(Cucumis
melo) 		4 / 5 GLY A 172
TRP A 187
ALA A 173
PHE A 216
 GLY  A 172 ( 0.0A)
TRP  A 187 (-0.5A)
ALA  A 173 ( 0.0A)
PHE  A 216 ( 1.3A)
 1.26A 3wqwA-5me6A:
undetectable		 3wqwA-5me6A:
19.58
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.
3WRH_E_CAME503_0
(CAMPHOR
5-MONOOXYGENASE)		 4std SCYTALONE
DEHYDRATASE
(Magnaporthe
grisea) 		4 / 6 PHE A  53
TYR A  50
VAL A  75
VAL A 108
 None
BFS  A 173 (-4.3A)
BFS  A 173 (-4.5A)
BFS  A 173 ( 4.4A)
 1.03A 3wrhE-4stdA:
undetectable		 3wrhE-4stdA:
18.48
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.
3WRJ_E_CAME503_0
(CAMPHOR
5-MONOOXYGENASE)		 4std SCYTALONE
DEHYDRATASE
(Magnaporthe
grisea) 		4 / 6 PHE A  53
TYR A  50
VAL A  75
VAL A 108
 None
BFS  A 173 (-4.3A)
BFS  A 173 (-4.5A)
BFS  A 173 ( 4.4A)
 1.04A 3wrjE-4stdA:
undetectable		 3wrjE-4stdA:
18.48
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.
3WRL_A_CAMA503_0
(CAMPHOR
5-MONOOXYGENASE)		 4std SCYTALONE
DEHYDRATASE
(Magnaporthe
grisea) 		4 / 7 PHE A  53
TYR A  50
VAL A  75
VAL A 108
 None
BFS  A 173 (-4.3A)
BFS  A 173 (-4.5A)
BFS  A 173 ( 4.4A)
 1.04A 3wrlA-4stdA:
undetectable		 3wrlA-4stdA:
18.48
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.
3WRL_E_CAME503_0
(CAMPHOR
5-MONOOXYGENASE)		 4std SCYTALONE
DEHYDRATASE
(Magnaporthe
grisea) 		4 / 7 PHE A  53
TYR A  50
VAL A  75
VAL A 108
 None
BFS  A 173 (-4.3A)
BFS  A 173 (-4.5A)
BFS  A 173 ( 4.4A)
 1.02A 3wrlE-4stdA:
undetectable		 3wrlE-4stdA:
18.48
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.
3WRM_F_CAMF503_0
(CAMPHOR
5-MONOOXYGENASE)		 4std SCYTALONE
DEHYDRATASE
(Magnaporthe
grisea) 		4 / 7 PHE A  53
TYR A  50
VAL A  75
VAL A 108
 None
BFS  A 173 (-4.3A)
BFS  A 173 (-4.5A)
BFS  A 173 ( 4.4A)
 1.05A 3wrmF-4stdA:
undetectable		 3wrmF-4stdA:
18.48
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.
3X2Q_A_CUA604_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.56A 3x2qA-2c11A:
undetectable		 3x2qA-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3X2Q_N_CUN604_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.60A 3x2qN-2c11A:
undetectable		 3x2qN-2c11A:
21.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ZOD_A_HQEA1173_1
(FMN-BINDING PROTEIN)		 3zog FMN-BINDING PROTEIN
(Pyrococcus
horikoshii) 		7 / 7 TYR A   8
HIS A  -7
ASP A  29
TRP A  30
ARG A  49
HIS A 124
HIS A 155
 None
A2Q  A 200 (-4.2A)
FMN  A 173 (-3.3A)
A2Q  A 200 ( 3.3A)
FMN  A 173 ( 3.5A)
A2Q  A 200 ( 3.8A)
FMN  A 173 (-3.6A)
 0.11A 3zodA-3zogA:
34.3		 3zodA-3zogA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ZOF_A_HQEA200_1
(FLAVOREDOXIN)		 3zog FMN-BINDING PROTEIN
(Pyrococcus
horikoshii) 		4 / 5 TYR A   8
TRP A  30
ARG A  49
HIS A 124
 None
A2Q  A 200 ( 3.3A)
FMN  A 173 ( 3.5A)
A2Q  A 200 ( 3.8A)
 0.47A 3zofA-3zogA:
24.1		 3zofA-3zogA:
28.14
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.
3ZOF_B_HQEB200_1
(FLAVOREDOXIN)		 3zog FMN-BINDING PROTEIN
(Pyrococcus
horikoshii) 		4 / 5 TYR A   8
TRP A  30
ARG A  49
HIS A 124
 None
A2Q  A 200 ( 3.3A)
FMN  A 173 ( 3.5A)
A2Q  A 200 ( 3.8A)
 0.45A 3zofB-3zogA:
23.9		 3zofB-3zogA:
28.14
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.
4A7B_A_HAEA1273_1
(COLLAGENASE 3)		 2y0o PROBABLE D-LYXOSE
KETOL-ISOMERASE
(Bacillus
subtilis) 		5 / 6 LEU A  58
HIS A 137
GLU A  82
HIS A  71
HIS A  69
 None
ZN  A1173 (-3.4A)
ZN  A1173 (-2.6A)
ZN  A1173 (-3.4A)
ZN  A1173 (-3.6A)
 0.97A 4a7bA-2y0oA:
undetectable		 4a7bA-2y0oA:
18.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A7B_B_HAEB1270_1
(COLLAGENASE 3)		 2y0o PROBABLE D-LYXOSE
KETOL-ISOMERASE
(Bacillus
subtilis) 		4 / 5 LEU A  58
HIS A 137
GLU A  82
HIS A  71
 None
ZN  A1173 (-3.4A)
ZN  A1173 (-2.6A)
ZN  A1173 (-3.4A)
 0.95A 4a7bB-2y0oA:
undetectable		 4a7bB-2y0oA:
18.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C2P_A_X8ZA709_1
(ANGIOTENSIN-CONVERTI
NG ENZYME)		 4ar9 COLLAGENASE COLT
(Clostridium
tetani) 		5 / 11 HIS A 465
GLU A 466
HIS A 469
GLU A 499
TYR A 548
 ZN  A1731 (-3.3A)
ZN  A1731 (-3.9A)
ZN  A1731 (-3.2A)
ZN  A1731 (-2.6A)
None
 0.62A 4c2pA-4ar9A:
4.2		 4c2pA-4ar9A:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D9H_A_ADNA301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4g41 MTA/SAH NUCLEOSIDASE
(Streptococcus
pyogenes) 		5 / 11 GLY A  78
GLU A 172
MET A 173
GLU A 174
SER A 196
 GLY  A  78 ( 0.0A)
GLU  A 172 ( 0.5A)
MET  A 173 ( 0.0A)
GLU  A 174 ( 0.6A)
SER  A 196 ( 0.0A)
 0.72A 4d9hA-4g41A:
23.9		 4d9hA-4g41A:
25.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DA7_A_AC2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4g41 MTA/SAH NUCLEOSIDASE
(Streptococcus
pyogenes) 		5 / 10 GLY A  78
GLU A 172
MET A 173
GLU A 174
SER A 196
 GLY  A  78 ( 0.0A)
GLU  A 172 ( 0.5A)
MET  A 173 ( 0.0A)
GLU  A 174 ( 0.6A)
SER  A 196 ( 0.0A)
 0.77A 4da7A-4g41A:
23.8		 4da7A-4g41A:
25.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DAN_A_2FAA301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4g41 MTA/SAH NUCLEOSIDASE
(Streptococcus
pyogenes) 		5 / 11 GLY A  78
GLU A 172
MET A 173
GLU A 174
SER A 196
 GLY  A  78 ( 0.0A)
GLU  A 172 ( 0.5A)
MET  A 173 ( 0.0A)
GLU  A 174 ( 0.6A)
SER  A 196 ( 0.0A)
 0.78A 4danA-4g41A:
23.4		 4danA-4g41A:
25.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DAN_B_2FAB301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4g41 MTA/SAH NUCLEOSIDASE
(Streptococcus
pyogenes) 		5 / 12 GLY A  78
GLU A 172
MET A 173
GLU A 174
SER A 196
 GLY  A  78 ( 0.0A)
GLU  A 172 ( 0.5A)
MET  A 173 ( 0.0A)
GLU  A 174 ( 0.6A)
SER  A 196 ( 0.0A)
 0.83A 4danA-4g41A:
23.4
4danB-4g41A:
23.4		 4danA-4g41A:
25.86
4danB-4g41A:
25.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DJE_A_C2FA300_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 2xn1 ALPHA-GALACTOSIDASE
(Lactobacillus
acidophilus) 		5 / 12 ASP A 370
GLY A 533
SER A 531
GLN A 541
ARG A 536
 TRS  A1733 (-2.7A)
TRS  A1733 (-4.4A)
None
None
None
 1.37A 4djeA-2xn1A:
8.5		 4djeA-2xn1A:
14.93
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.
4DPR_A_X8ZA702_1
(LEUKOTRIENE A-4
HYDROLASE)		 4ar9 COLLAGENASE COLT
(Clostridium
tetani) 		5 / 9 HIS A 465
GLU A 466
GLU A 499
TYR A 541
TYR A 548
 ZN  A1731 (-3.3A)
ZN  A1731 (-3.9A)
ZN  A1731 (-2.6A)
None
None
 1.45A 4dprA-4ar9A:
7.7		 4dprA-4ar9A:
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.
4DQH_B_017B101_1
(WILD-TYPE HIV-1
PROTEASE DIMER)		 1o94 TRIMETHYLAMINE
DEHYDROGENASE
(Methylophilus
methylotrophus) 		5 / 11 LEU A 650
GLY A 668
ILE A 666
VAL A 395
ILE A 485
 ADP  A1731 ( 4.6A)
None
None
ADP  A1731 (-4.7A)
None
 0.99A 4dqhA-1o94A:
undetectable		 4dqhA-1o94A:
9.72
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.
4EJJ_D_NCTD501_1
(CYTOCHROME P450 2A6)		 2qc5 STREPTOGRAMIN B
LACTONASE
(Staphylococcus
cohnii) 		4 / 7 ASN A 138
ILE A 122
LEU A 173
PHE A 156
 ASN  A 138 ( 0.6A)
ILE  A 122 ( 0.7A)
LEU  A 173 ( 0.6A)
PHE  A 156 ( 1.3A)
 0.80A 4ejjD-2qc5A:
undetectable		 4ejjD-2qc5A:
20.45
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.
4EK1_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		 4std SCYTALONE
DEHYDRATASE
(Magnaporthe
grisea) 		4 / 6 PHE A  53
TYR A  50
VAL A  75
VAL A 108
 None
BFS  A 173 (-4.3A)
BFS  A 173 (-4.5A)
BFS  A 173 ( 4.4A)
 1.05A 4ek1A-4stdA:
undetectable		 4ek1A-4stdA:
18.02
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.
4FEU_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP
(Thermotoga
maritima) 		4 / 7 ASP A 488
ASP A 202
ASN A 229
ASP A 232
 PO4  A1727 (-3.3A)
MG  A1729 (-2.2A)
MG  A1730 ( 4.3A)
MG  A1732 (-1.9A)
 1.13A 4feuB-4av6A:
undetectable		 4feuB-4av6A:
15.78
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.
4FEU_F_KANF301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP
(Thermotoga
maritima) 		4 / 8 ASP A 465
ASP A 692
GLU A 667
ASP A 228
 PO4  A1727 (-2.2A)
MG  A1731 ( 2.4A)
None
MG  A1729 (-3.6A)
 1.20A 4feuF-4av6A:
undetectable		 4feuF-4av6A:
15.78
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.
4FEV_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP
(Thermotoga
maritima) 		4 / 7 ASP A 465
ASP A 692
GLU A 667
ASP A 228
 PO4  A1727 (-2.2A)
MG  A1731 ( 2.4A)
None
MG  A1729 (-3.6A)
 1.16A 4fevD-4av6A:
undetectable		 4fevD-4av6A:
15.78
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.
4FEV_F_KANF301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP
(Thermotoga
maritima) 		4 / 7 ASP A 465
ASP A 692
GLU A 667
ASP A 228
 PO4  A1727 (-2.2A)
MG  A1731 ( 2.4A)
None
MG  A1729 (-3.6A)
 1.21A 4fevF-4av6A:
undetectable		 4fevF-4av6A:
15.78
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.
4FEW_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP
(Thermotoga
maritima) 		4 / 8 ASP A 465
ASP A 692
GLU A 667
ASP A 228
 PO4  A1727 (-2.2A)
MG  A1731 ( 2.4A)
None
MG  A1729 (-3.6A)
 1.17A 4fewD-4av6A:
0.8		 4fewD-4av6A:
15.78
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.
4FEW_F_KANF301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP
(Thermotoga
maritima) 		4 / 8 ASP A 465
ASP A 692
GLU A 667
ASP A 228
 PO4  A1727 (-2.2A)
MG  A1731 ( 2.4A)
None
MG  A1729 (-3.6A)
 1.19A 4fewF-4av6A:
undetectable		 4fewF-4av6A:
15.78
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.
4FGZ_A_CQAA301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		 1o94 TRIMETHYLAMINE
DEHYDROGENASE
(Methylophilus
methylotrophus) 		4 / 8 GLY A 224
TYR A  25
LEU A 295
VAL A 297
 None
None
None
FMN  A1730 (-3.7A)
 0.89A 4fgzA-1o94A:
undetectable		 4fgzA-1o94A:
17.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G19_A_ACTA304_0
(GLUTATHIONE
TRANSFERASE GTE1)		 5d8h 50S RIBOSOMAL
PROTEIN L11
(Methanocaldococc
us
jannaschii) 		4 / 5 ALA C  85
ILE C  76
LEU C  80
LYS C  77
 G  A1173 ( 3.3A)
None
None
C  A1174 ( 4.1A)
 1.21A 4g19A-5d8hC:
undetectable		 4g19A-5d8hC:
19.20
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.
4G3R_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		 4std SCYTALONE
DEHYDRATASE
(Magnaporthe
grisea) 		4 / 6 PHE A  53
TYR A  50
VAL A  75
VAL A 108
 None
BFS  A 173 (-4.3A)
BFS  A 173 (-4.5A)
BFS  A 173 ( 4.4A)
 1.03A 4g3rA-4stdA:
undetectable		 4g3rA-4stdA:
18.27
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.
4G3R_B_CAMB502_0
(CAMPHOR
5-MONOOXYGENASE)		 4std SCYTALONE
DEHYDRATASE
(Magnaporthe
grisea) 		4 / 6 PHE A  53
TYR A  50
VAL A  75
VAL A 108
 None
BFS  A 173 (-4.3A)
BFS  A 173 (-4.5A)
BFS  A 173 ( 4.4A)
 1.01A 4g3rB-4stdA:
undetectable		 4g3rB-4stdA:
18.27
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.
4GC9_A_ACTA402_0
(DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL)		 3j7y ML51
(Homo
sapiens) 		3 / 3 LYS i 119
TYR i 118
ARG i 123
 U  A2013 ( 3.0A)
A  A1731 ( 3.5A)
A  A1722 ( 2.8A)
 1.27A 4gc9A-3j7yi:
undetectable		 4gc9A-3j7yi:
17.46
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.
4GKH_F_KANF301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP
(Thermotoga
maritima) 		4 / 8 ASP A 465
ASP A 692
GLU A 667
ASP A 228
 PO4  A1727 (-2.2A)
MG  A1731 ( 2.4A)
None
MG  A1729 (-3.6A)
 1.17A 4gkhF-4av6A:
undetectable		 4gkhF-4av6A:
15.78
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.
4GKH_G_KANG301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP
(Thermotoga
maritima) 		4 / 7 ASP A 465
ASP A 692
GLU A 667
ASP A 228
 PO4  A1727 (-2.2A)
MG  A1731 ( 2.4A)
None
MG  A1729 (-3.6A)
 1.20A 4gkhG-4av6A:
undetectable		 4gkhG-4av6A:
15.78
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.
4GKI_A_KANA301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP
(Thermotoga
maritima) 		4 / 8 ASP A 465
ASP A 692
GLU A 667
ASP A 228
 PO4  A1727 (-2.2A)
MG  A1731 ( 2.4A)
None
MG  A1729 (-3.6A)
 1.16A 4gkiA-4av6A:
undetectable		 4gkiA-4av6A:
15.78
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.
4HFP_B_15UB402_1
(PROTHROMBIN)		 2xw7 DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 TYR A  66
TRP A  64
ILE A  79
ASP A 116
GLY A  51
 None
None
None
NDP  A1173 (-2.8A)
NDP  A1173 (-3.4A)
 1.09A 4hfpB-2xw7A:
undetectable		 4hfpB-2xw7A:
21.18
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.
4IK7_B_IMNB201_1
(TRANSTHYRETIN)		 3cf4 ACETYL-COA
DECARBOXYLASE/SYNTHA
SE ALPHA SUBUNIT
ACETYL-COA
DECARBOXYLASE/SYNTHA
SE EPSILON SUBUNIT
(Methanosarcina
barkeri) 		4 / 8 ALA G 127
LEU G 125
THR A  70
VAL A  68
 ACY  A 821 (-3.6A)
PEG  G 173 ( 4.0A)
None
ACY  A 821 ( 4.3A)
 0.62A 4ik7B-3cf4G:
undetectable		 4ik7B-3cf4G:
18.34
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.
4K7G_B_ACTB902_0
(3-HYDROXYPROLINE
DEHYDRATSE)		 2rhp THROMBOSPONDIN-2
(Homo
sapiens) 		4 / 7 ASP A 939
PRO A 942
ASP A 946
SER A 955
 CA  A1173 ( 2.9A)
None
CA  A1173 ( 2.1A)
CA  A1173 (-2.9A)
 1.27A 4k7gB-2rhpA:
undetectable		 4k7gB-2rhpA:
18.30
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.
4KKY_X_CAMX503_0
(CAMPHOR
5-MONOOXYGENASE)		 4std SCYTALONE
DEHYDRATASE
(Magnaporthe
grisea) 		4 / 6 PHE A  53
TYR A  50
VAL A  75
VAL A 108
 None
BFS  A 173 (-4.3A)
BFS  A 173 (-4.5A)
BFS  A 173 ( 4.4A)
 1.06A 4kkyX-4stdA:
undetectable		 4kkyX-4stdA:
18.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KOU_A_C04A207_1
(UNCHARACTERIZED
PROTEIN)		 3kkw PUTATIVE
UNCHARACTERIZED
PROTEIN
(Pseudomonas
aeruginosa) 		3 / 3 GLY A  11
GLU A  14
THR A  15
 EDO  A 179 (-3.7A)
EDO  A 173 (-4.9A)
EDO  A 167 ( 3.0A)
 0.11A 4kouA-3kkwA:
31.9		 4kouA-3kkwA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KRH_B_SAMB900_1
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
2)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		4 / 4 ILE A 509
SER A 508
ASP A 516
ASP A 482
 PGR  A1765 (-4.1A)
PGR  A1765 ( 2.5A)
GOL  A1734 (-3.5A)
None
 0.91A 4krhB-2xe4A:
undetectable		 4krhB-2xe4A:
19.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L49_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		 4std SCYTALONE
DEHYDRATASE
(Magnaporthe
grisea) 		4 / 5 PHE A  53
TYR A  50
VAL A  75
VAL A 108
 None
BFS  A 173 (-4.3A)
BFS  A 173 (-4.5A)
BFS  A 173 ( 4.4A)
 1.01A 4l49A-4stdA:
undetectable		 4l49A-4stdA:
18.48
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.
4L4C_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		 4std SCYTALONE
DEHYDRATASE
(Magnaporthe
grisea) 		4 / 6 PHE A  53
TYR A  50
VAL A  75
VAL A 108
 None
BFS  A 173 (-4.3A)
BFS  A 173 (-4.5A)
BFS  A 173 ( 4.4A)
 1.04A 4l4cA-4stdA:
undetectable		 4l4cA-4stdA:
18.48
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.
4LL3_A_017A201_1
(PROTEASE)		 1o94 TRIMETHYLAMINE
DEHYDROGENASE
(Methylophilus
methylotrophus) 		5 / 8 ALA A 405
VAL A 392
GLY A 688
VAL A 395
ILE A 394
 None
None
None
ADP  A1731 (-4.7A)
None
 1.42A 4ll3A-1o94A:
undetectable		 4ll3A-1o94A:
9.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LMN_A_EUIA503_1
(DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1)		 5d7a TRAF2 AND
NCK-INTERACTING
PROTEIN KINASE
(Homo
sapiens) 		5 / 12 LEU A  73
ASN A 158
ASP A 171
PHE A 172
GLY A 173
 LEU  A  73 ( 0.6A)
ASN  A 158 ( 0.6A)
ASP  A 171 ( 0.5A)
PHE  A 172 ( 1.3A)
GLY  A 173 ( 0.0A)
 0.72A 4lmnA-5d7aA:
29.6		 4lmnA-5d7aA:
30.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LMN_A_EUIA503_1
(DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1)		 5d7a TRAF2 AND
NCK-INTERACTING
PROTEIN KINASE
(Homo
sapiens) 		5 / 12 MET A 105
ASN A 158
ASP A 171
PHE A 172
GLY A 173
 MET  A 105 (-0.0A)
ASN  A 158 ( 0.6A)
ASP  A 171 ( 0.5A)
PHE  A 172 ( 1.3A)
GLY  A 173 ( 0.0A)
 1.00A 4lmnA-5d7aA:
29.6		 4lmnA-5d7aA:
30.98
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.
4LNX_A_T44A501_1
(THYROID HORMONE
RECEPTOR ALPHA)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		4 / 6 GLU A 100
VAL A 155
THR A 156
ARG A 159
 None
None
NAG  A1730 ( 4.3A)
None
 1.25A 4lnxA-2c11A:
undetectable		 4lnxA-2c11A:
17.48
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.
4M11_C_MXMC606_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		3 / 3 LEU A 173
ARG A 331
MET A 281
 LEU  A 173 ( 0.6A)
ARG  A 331 ( 0.6A)
PHE  A 279 ( 3.6A)
 0.95A 4m11C-2nvvA:
undetectable		 4m11C-2nvvA:
21.38
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.
4MBS_B_MRVB1101_2
(CHIMERA PROTEIN OF
C-C CHEMOKINE
RECEPTOR TYPE 5 AND
RUBREDOXIN)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB
(Mycobacterium
tuberculosis) 		4 / 5 TYR A  34
THR A 143
LEU A 144
THR A  72
 None
None
COA  A1730 ( 4.8A)
SO4  A1726 (-4.0A)
 1.43A 4mbsB-4b3iA:
undetectable		 4mbsB-4b3iA:
19.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MDA_A_RLTA403_1
(MARINER MOS1
TRANSPOSASE)		 2rhp THROMBOSPONDIN-2
(Homo
sapiens) 		4 / 6 ASP A 937
ASN A 883
TYR A1167
ASP A 946
 CA  A   2 ( 2.6A)
None
None
CA  A1173 ( 2.1A)
 1.05A 4mdaA-2rhpA:
undetectable		 4mdaA-2rhpA:
14.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MDA_A_RLTA403_1
(MARINER MOS1
TRANSPOSASE)		 4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP
(Thermotoga
maritima) 		4 / 6 ASP A 688
ASP A 206
ALA A 204
ASP A 692
 MG  A1731 (-3.3A)
MG  A1729 (-3.5A)
None
MG  A1731 ( 2.4A)
 1.12A 4mdaA-4av6A:
undetectable		 4mdaA-4av6A:
16.37
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.
4MDB_A_RLTA401_1
(MARINER MOS1
TRANSPOSASE)		 4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP
(Thermotoga
maritima) 		4 / 6 ASP A 688
ASP A 206
ALA A 204
ASP A 692
 MG  A1731 (-3.3A)
MG  A1729 (-3.5A)
None
MG  A1731 ( 2.4A)
 1.17A 4mdbA-4av6A:
undetectable		 4mdbA-4av6A:
16.37
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.
4MK4_A_CHDA504_0
(FERROCHELATASE,
MITOCHONDRIAL)		 1o94 TRIMETHYLAMINE
DEHYDROGENASE
(Methylophilus
methylotrophus) 		4 / 8 VAL A 691
ARG A 690
VAL A 395
GLY A 396
 None
None
ADP  A1731 (-4.7A)
ADP  A1731 (-3.4A)
 0.89A 4mk4A-1o94A:
3.0		 4mk4A-1o94A:
19.08
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.
4MWX_A_ZMRA513_1
(NEURAMINIDASE)		 4ar9 COLLAGENASE COLT
(Clostridium
tetani) 		5 / 12 GLU A 503
ARG A 516
GLU A 498
GLU A 499
TYR A 548
 None
None
None
ZN  A1731 (-2.6A)
None
 1.45A 4mwxA-4ar9A:
undetectable		 4mwxA-4ar9A:
18.40
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.
4N48_B_SAMB601_1
(CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1)		 2y6g XYLANASE
(Rhodothermus
marinus) 		4 / 5 PRO A  77
GLY A  27
ASP A 111
ASP A  29
 None
None
None
BGC  A1173 (-3.7A)
 0.88A 4n48B-2y6gA:
undetectable		 4n48B-2y6gA:
17.41
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.
4N49_A_SAMA601_1
(CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1)		 4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP
(Thermotoga
maritima) 		4 / 4 ASN A 492
GLY A 491
ASP A 190
ASP A 232
 PO4  A1728 ( 2.5A)
None
None
MG  A1732 (-1.9A)
 1.15A 4n49A-4av6A:
undetectable		 4n49A-4av6A:
21.20
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.
4O7G_A_ASCA303_0
(PROBABLE
TRANSMEMBRANE
ASCORBATE
FERRIREDUCTASE 2)		 3pu5 EXTRACELLULAR
SOLUTE-BINDING
PROTEIN
(Bordetella
parapertussis) 		4 / 7 PHE A 159
ILE A 142
PHE A 173
ASN A 175
 PHE  A 159 ( 1.3A)
ILE  A 142 ( 0.6A)
PHE  A 173 ( 1.3A)
ASN  A 175 ( 0.6A)
 1.27A 4o7gA-3pu5A:
undetectable
4o7gB-3pu5A:
undetectable		 4o7gA-3pu5A:
21.96
4o7gB-3pu5A:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q15_B_HFGB803_0
(PROLINE--TRNA LIGASE)		 1o94 TRIMETHYLAMINE
DEHYDROGENASE
(Methylophilus
methylotrophus) 		5 / 12 LEU A 177
GLU A 103
THR A 257
ARG A 222
GLY A 298
 None
FMN  A1730 (-2.7A)
None
FMN  A1730 (-2.8A)
FMN  A1730 ( 4.2A)
 1.23A 4q15B-1o94A:
4.1		 4q15B-1o94A:
21.20
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.
4Q1X_A_017A101_2
(ASPARTYL PROTEASE)		 1o94 TRIMETHYLAMINE
DEHYDROGENASE
(Methylophilus
methylotrophus) 		5 / 12 LEU A 650
GLY A 668
ILE A 666
VAL A 395
ILE A 485
 ADP  A1731 ( 4.6A)
None
None
ADP  A1731 (-4.7A)
None
 0.90A 4q1xB-1o94A:
undetectable		 4q1xB-1o94A:
10.00
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.
4R7L_A_SHHA709_1
(LEUKOTRIENE A-4
HYDROLASE)		 4ar9 COLLAGENASE COLT
(Clostridium
tetani) 		5 / 12 HIS A 465
GLU A 466
HIS A 469
GLU A 499
TYR A 548
 ZN  A1731 (-3.3A)
ZN  A1731 (-3.9A)
ZN  A1731 (-3.2A)
ZN  A1731 (-2.6A)
None
 0.53A 4r7lA-4ar9A:
6.6		 4r7lA-4ar9A:
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.
4RET_A_DGXA1107_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		 1c8x ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE H
(Streptomyces
plicatus) 		5 / 12 ASP A 128
LEU A 167
PHE A 111
ALA A 173
LEU A  91
 ASP  A 128 ( 0.5A)
LEU  A 167 ( 0.5A)
PHE  A 111 ( 1.3A)
ALA  A 173 ( 0.0A)
LEU  A  91 ( 0.6A)
 1.19A 4retA-1c8xA:
undetectable		 4retA-1c8xA:
13.81
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.
4TVT_A_ASCA301_0
(THAUMATIN-1)		 5fr8 TONB-DEPENDENT
SIDEROPHORE RECEPTOR
(Acinetobacter
baumannii) 		3 / 3 THR A 639
ASN A 621
SER A 622
 None
None
C8E  A1731 (-3.2A)
 0.68A 4tvtA-5fr8A:
undetectable		 4tvtA-5fr8A:
14.83
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.
4TWD_B_377B401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 4ar9 COLLAGENASE COLT
(Clostridium
tetani) 		4 / 5 TYR A 541
GLU A 499
GLU A 498
TYR A 487
 None
ZN  A1731 (-2.6A)
None
None
 1.42A 4twdA-4ar9A:
0.0
4twdB-4ar9A:
0.0		 4twdA-4ar9A:
22.06
4twdB-4ar9A:
22.06
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.
4UMJ_A_BFQA1297_1
(GERANYLTRANSTRANSFER
ASE)		 4c1o BETA-XYLOSIDASE
(Parageobacillus
thermoglucosidas
ius) 		4 / 8 LEU A 368
ASP A 367
ARG A 715
GLN A 450
 GOL  A1737 ( 4.9A)
GOL  A1737 (-2.8A)
GOL  A1737 (-3.3A)
None
 1.00A 4umjA-4c1oA:
2.2		 4umjA-4c1oA:
17.64
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.
4UUU_A_SAMA1546_0
(CYSTATHIONINE
BETA-SYNTHASE)		 5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGS
FAD-BINDING SUBUNIT
(Escherichia
coli) 		5 / 11 ALA C  45
VAL C 198
THR C 205
ILE C 233
ASP C 497
 IOD  C1732 ( 4.3A)
None
None
None
None
 1.31A 4uuuA-5g5gC:
undetectable
4uuuB-5g5gC:
undetectable		 4uuuA-5g5gC:
13.37
4uuuB-5g5gC:
13.37
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.
4UYM_B_VORB590_1
(14-ALPHA STEROL
DEMETHYLASE)		 1o94 TRIMETHYLAMINE
DEHYDROGENASE
(Methylophilus
methylotrophus) 		4 / 7 TYR A 539
ALA A 682
ILE A 346
LEU A 428
 None
None
SF4  A1732 (-4.5A)
None
 0.81A 4uymB-1o94A:
0.0		 4uymB-1o94A:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_B_QI9B602_0
(CYTOCHROME P450 2D6)		 2qv2 INOSITOL
POLYPHOSPHATE
5-PHOSPHATASE OCRL-1
(Homo
sapiens) 		5 / 9 LEU A 173
LEU A 213
GLU A 178
VAL A 183
PHE A 235
 LEU  A 173 ( 0.6A)
LEU  A 213 ( 0.6A)
GLU  A 178 ( 0.5A)
VAL  A 183 ( 0.6A)
PHE  A 235 ( 1.3A)
 1.44A 4wnvB-2qv2A:
undetectable		 4wnvB-2qv2A:
21.50
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.
4WNW_A_RTZA602_1
(CYTOCHROME P450 2D6)		 5hiu GTPASE
ACTIVATOR-LIKE
PROTEIN
(Chaetomium
thermophilum) 		5 / 12 LEU A 212
LEU A 173
GLN A 185
THR A 193
PHE A 170
 LEU  A 212 ( 0.6A)
LEU  A 173 ( 0.5A)
GLN  A 185 ( 0.6A)
THR  A 193 ( 0.8A)
PHE  A 170 ( 1.3A)
 1.22A 4wnwA-5hiuA:
undetectable		 4wnwA-5hiuA:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WQL_A_KANA203_1
(2''-AMINOGLYCOSIDE
NUCLEOTIDYLTRANSFERA
SE)		 2rhp THROMBOSPONDIN-2
(Homo
sapiens) 		5 / 9 ASP A 935
ASP A 939
ASP A 937
TYR A1167
GLU A1168
 CA  A   2 (-3.2A)
CA  A1173 ( 2.9A)
CA  A   2 ( 2.6A)
None
None
 1.35A 4wqlA-2rhpA:
0.0		 4wqlA-2rhpA:
13.98
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.
4WZM_A_ACTA503_0
(RNA DEPENDENT RNA
POLYMERASE)		 4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP
(Thermotoga
maritima) 		4 / 4 ASP A 228
ASP A 206
ASP A 688
ALA A 205
 MG  A1729 (-3.6A)
MG  A1729 (-3.5A)
MG  A1731 (-3.3A)
None
 1.43A 4wzmA-4av6A:
0.0		 4wzmA-4av6A:
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.
4WZM_A_ACTA503_0
(RNA DEPENDENT RNA
POLYMERASE)		 4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP
(Thermotoga
maritima) 		4 / 4 ASP A 228
ASP A 206
ASP A 692
ALA A 205
 MG  A1729 (-3.6A)
MG  A1729 (-3.5A)
MG  A1731 ( 2.4A)
None
 1.42A 4wzmA-4av6A:
0.0		 4wzmA-4av6A:
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.
4X3U_B_SVRB102_1
(CHROMOBOX PROTEIN
HOMOLOG 7)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 LYS A 106
ARG A 353
VAL A 352
 CA  A1736 ( 3.7A)
None
None
 1.03A 4x3uA-2c11A:
0.7
4x3uB-2c11A:
0.6		 4x3uA-2c11A:
6.68
4x3uB-2c11A:
6.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZDY_A_1YNA602_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 4std SCYTALONE
DEHYDRATASE
(Magnaporthe
grisea) 		3 / 3 ALA A  27
TYR A  30
PRO A 149
 None
BFS  A 173 (-4.5A)
BFS  A 173 (-4.5A)
 0.71A 4zdyA-4stdA:
undetectable		 4zdyA-4stdA:
16.24
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.
4ZE2_A_1YNA602_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 4std SCYTALONE
DEHYDRATASE
(Magnaporthe
grisea) 		4 / 5 ALA A  27
TYR A  30
PRO A 149
PHE A  66
 None
BFS  A 173 (-4.5A)
BFS  A 173 (-4.5A)
None
 0.91A 4ze2A-4stdA:
undetectable		 4ze2A-4stdA:
16.24
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.
5B1A_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.54A 5b1aA-2c11A:
undetectable		 5b1aA-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B1A_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.57A 5b1aN-2c11A:
undetectable		 5b1aN-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B1B_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.59A 5b1bA-2c11A:
undetectable		 5b1bA-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B1B_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2y4y PILP PROTEIN
(Pseudomonas
aeruginosa) 		4 / 7 ILE A 148
LEU A 168
ARG A 126
LEU A  94
 None
None
ACT  A1173 (-3.0A)
None
 1.01A 5b1bA-2y4yA:
undetectable
5b1bJ-2y4yA:
undetectable		 5b1bA-2y4yA:
9.02
5b1bJ-2y4yA:
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.
5B1B_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.59A 5b1bN-2c11A:
undetectable		 5b1bN-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B2S_A_ACTA107_0
(CRISPR-ASSOCIATED
ENDONUCLEASE CAS9
GUIDE RNA)		 3j7a 40S RIBOSOMAL
PROTEIN US10
(Plasmodium
falciparum) 		3 / 3 VAL N  57
THR N  59
ARG N  82
 A  A1628 ( 3.8A)
G  A1732 ( 4.1A)
U  A1437 ( 3.2A)
 0.68A 5b2sB-3j7aN:
undetectable		 5b2sB-3j7aN:
6.90
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.
5B2T_A_ACTA108_0
(CRISPR-ASSOCIATED
ENDONUCLEASE CAS9
GUIDE RNA)		 3j7a 40S RIBOSOMAL
PROTEIN US10
(Plasmodium
falciparum) 		3 / 3 VAL N  57
THR N  59
ARG N  82
 A  A1628 ( 3.8A)
G  A1732 ( 4.1A)
U  A1437 ( 3.2A)
 0.70A 5b2tB-3j7aN:
undetectable		 5b2tB-3j7aN:
6.90
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.
5B3S_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.57A 5b3sA-2c11A:
undetectable		 5b3sA-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B3S_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2y4y PILP PROTEIN
(Pseudomonas
aeruginosa) 		4 / 7 ILE A 148
LEU A 168
ARG A 126
LEU A  94
 None
None
ACT  A1173 (-3.0A)
None
 0.98A 5b3sA-2y4yA:
undetectable
5b3sJ-2y4yA:
undetectable		 5b3sA-2y4yA:
9.02
5b3sJ-2y4yA:
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.
5B3S_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.59A 5b3sN-2c11A:
undetectable		 5b3sN-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CDN_G_EVPG2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)		 1o94 TRIMETHYLAMINE
DEHYDROGENASE
(Methylophilus
methylotrophus) 		4 / 6 GLU A 131
GLY A 224
ARG A 222
GLY A 170
 None
None
FMN  A1730 (-2.8A)
None
 0.73A 5cdnA-1o94A:
undetectable
5cdnB-1o94A:
undetectable		 5cdnA-1o94A:
22.83
5cdnB-1o94A:
13.42
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.
5CDN_O_EVPO2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)		 1o94 TRIMETHYLAMINE
DEHYDROGENASE
(Methylophilus
methylotrophus) 		4 / 6 GLU A 131
GLY A 224
ARG A 222
GLY A 170
 None
None
FMN  A1730 (-2.8A)
None
 0.76A 5cdnC-1o94A:
0.0
5cdnD-1o94A:
undetectable		 5cdnC-1o94A:
22.83
5cdnD-1o94A:
13.42
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.
5CDN_P_EVPP2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)		 1o94 TRIMETHYLAMINE
DEHYDROGENASE
(Methylophilus
methylotrophus) 		4 / 6 GLU A 131
GLY A 224
ARG A 222
GLY A 170
 None
None
FMN  A1730 (-2.8A)
None
 0.73A 5cdnT-1o94A:
0.0
5cdnU-1o94A:
undetectable		 5cdnT-1o94A:
22.83
5cdnU-1o94A:
13.42
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.
5E26_B_PAUB601_0
(PANTOTHENATE KINASE
2, MITOCHONDRIAL)		 2xn1 ALPHA-GALACTOSIDASE
(Lactobacillus
acidophilus) 		4 / 7 TYR A 570
ALA A 550
GLY A 533
GLY A 529
 None
None
TRS  A1733 (-4.4A)
None
 0.83A 5e26A-2xn1A:
undetectable
5e26B-2xn1A:
undetectable		 5e26A-2xn1A:
20.05
5e26B-2xn1A:
20.05
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.
5EEU_F_TRPF101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 4umv ZINC-TRANSPORTING
ATPASE
(Shigella
sonnei) 		5 / 10 ALA A 589
GLY A 289
ALA A 590
THR A 442
THR A 438
 None
BEF  A1732 (-3.0A)
None
None
BEF  A1732 ( 3.7A)
 1.03A 5eeuF-4umvA:
undetectable
5eeuG-4umvA:
undetectable		 5eeuF-4umvA:
7.07
5eeuG-4umvA:
7.07
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.
5EEU_I_TRPI101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 4umv ZINC-TRANSPORTING
ATPASE
(Shigella
sonnei) 		5 / 12 ALA A 589
GLY A 289
ALA A 590
THR A 442
THR A 438
 None
BEF  A1732 (-3.0A)
None
None
BEF  A1732 ( 3.7A)
 1.03A 5eeuI-4umvA:
undetectable
5eeuJ-4umvA:
undetectable		 5eeuI-4umvA:
7.07
5eeuJ-4umvA:
7.07
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.
5EEV_F_TRPF101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 4umv ZINC-TRANSPORTING
ATPASE
(Shigella
sonnei) 		5 / 10 ALA A 589
GLY A 289
ALA A 590
THR A 442
THR A 438
 None
BEF  A1732 (-3.0A)
None
None
BEF  A1732 ( 3.7A)
 1.03A 5eevF-4umvA:
undetectable
5eevG-4umvA:
undetectable		 5eevF-4umvA:
7.07
5eevG-4umvA:
7.07
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.
5EEV_I_TRPI101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 4umv ZINC-TRANSPORTING
ATPASE
(Shigella
sonnei) 		5 / 12 ALA A 589
GLY A 289
ALA A 590
THR A 442
THR A 438
 None
BEF  A1732 (-3.0A)
None
None
BEF  A1732 ( 3.7A)
 1.03A 5eevI-4umvA:
undetectable
5eevJ-4umvA:
undetectable		 5eevI-4umvA:
7.07
5eevJ-4umvA:
7.07
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.
5EEW_F_TRPF101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 4umv ZINC-TRANSPORTING
ATPASE
(Shigella
sonnei) 		5 / 10 ALA A 589
GLY A 289
ALA A 590
THR A 442
THR A 438
 None
BEF  A1732 (-3.0A)
None
None
BEF  A1732 ( 3.7A)
 1.04A 5eewF-4umvA:
undetectable
5eewG-4umvA:
undetectable		 5eewF-4umvA:
7.07
5eewG-4umvA:
7.07
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.
5EEW_I_TRPI101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 4umv ZINC-TRANSPORTING
ATPASE
(Shigella
sonnei) 		5 / 12 ALA A 589
GLY A 289
ALA A 590
THR A 442
THR A 438
 None
BEF  A1732 (-3.0A)
None
None
BEF  A1732 ( 3.7A)
 1.03A 5eewI-4umvA:
undetectable
5eewJ-4umvA:
undetectable		 5eewI-4umvA:
7.07
5eewJ-4umvA:
7.07
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.
5EEX_F_TRPF101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 4umv ZINC-TRANSPORTING
ATPASE
(Shigella
sonnei) 		5 / 10 ALA A 589
GLY A 289
ALA A 590
THR A 442
THR A 438
 None
BEF  A1732 (-3.0A)
None
None
BEF  A1732 ( 3.7A)
 1.03A 5eexF-4umvA:
undetectable
5eexG-4umvA:
undetectable		 5eexF-4umvA:
7.07
5eexG-4umvA:
7.07
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.
5EEY_F_TRPF101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 4umv ZINC-TRANSPORTING
ATPASE
(Shigella
sonnei) 		5 / 10 ALA A 589
GLY A 289
ALA A 590
THR A 442
THR A 438
 None
BEF  A1732 (-3.0A)
None
None
BEF  A1732 ( 3.7A)
 1.04A 5eeyF-4umvA:
undetectable
5eeyG-4umvA:
undetectable		 5eeyF-4umvA:
7.07
5eeyG-4umvA:
7.07
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.
5EEZ_F_TRPF101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 4umv ZINC-TRANSPORTING
ATPASE
(Shigella
sonnei) 		5 / 10 ALA A 589
GLY A 289
ALA A 590
THR A 442
THR A 438
 None
BEF  A1732 (-3.0A)
None
None
BEF  A1732 ( 3.7A)
 1.04A 5eezF-4umvA:
undetectable
5eezG-4umvA:
undetectable		 5eezF-4umvA:
7.07
5eezG-4umvA:
7.07
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.
5EEZ_L_TRPL101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 4umv ZINC-TRANSPORTING
ATPASE
(Shigella
sonnei) 		4 / 8 THR A 442
GLY A 289
ALA A 589
THR A 583
 None
BEF  A1732 (-3.0A)
None
BEF  A1732 (-4.2A)
 0.81A 5eezL-4umvA:
undetectable
5eezV-4umvA:
undetectable		 5eezL-4umvA:
7.07
5eezV-4umvA:
7.07
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.
5EF0_F_TRPF101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 4umv ZINC-TRANSPORTING
ATPASE
(Shigella
sonnei) 		5 / 10 ALA A 589
GLY A 289
ALA A 590
THR A 442
THR A 438
 None
BEF  A1732 (-3.0A)
None
None
BEF  A1732 ( 3.7A)
 1.04A 5ef0F-4umvA:
undetectable
5ef0G-4umvA:
undetectable		 5ef0F-4umvA:
7.07
5ef0G-4umvA:
7.07
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.
5EF1_F_TRPF101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 4umv ZINC-TRANSPORTING
ATPASE
(Shigella
sonnei) 		5 / 10 ALA A 589
GLY A 289
ALA A 590
THR A 442
THR A 438
 None
BEF  A1732 (-3.0A)
None
None
BEF  A1732 ( 3.7A)
 1.04A 5ef1F-4umvA:
undetectable
5ef1G-4umvA:
undetectable		 5ef1F-4umvA:
7.07
5ef1G-4umvA:
7.07
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.
5EF1_L_TRPL101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 4umv ZINC-TRANSPORTING
ATPASE
(Shigella
sonnei) 		4 / 8 THR A 442
GLY A 289
ALA A 589
THR A 583
 None
BEF  A1732 (-3.0A)
None
BEF  A1732 (-4.2A)
 0.80A 5ef1L-4umvA:
undetectable
5ef1V-4umvA:
undetectable		 5ef1L-4umvA:
7.07
5ef1V-4umvA:
7.07
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.
5EF2_F_TRPF101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 4umv ZINC-TRANSPORTING
ATPASE
(Shigella
sonnei) 		5 / 10 ALA A 589
GLY A 289
ALA A 590
THR A 442
THR A 438
 None
BEF  A1732 (-3.0A)
None
None
BEF  A1732 ( 3.7A)
 1.04A 5ef2F-4umvA:
undetectable
5ef2G-4umvA:
undetectable		 5ef2F-4umvA:
7.07
5ef2G-4umvA:
7.07
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.
5EF2_L_TRPL101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 4umv ZINC-TRANSPORTING
ATPASE
(Shigella
sonnei) 		4 / 8 THR A 442
GLY A 289
ALA A 589
THR A 583
 None
BEF  A1732 (-3.0A)
None
BEF  A1732 (-4.2A)
 0.80A 5ef2L-4umvA:
undetectable
5ef2V-4umvA:
undetectable		 5ef2L-4umvA:
7.07
5ef2V-4umvA:
7.07
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.
5EF3_F_TRPF101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 4umv ZINC-TRANSPORTING
ATPASE
(Shigella
sonnei) 		5 / 10 ALA A 589
GLY A 289
ALA A 590
THR A 442
THR A 438
 None
BEF  A1732 (-3.0A)
None
None
BEF  A1732 ( 3.7A)
 1.04A 5ef3F-4umvA:
undetectable
5ef3G-4umvA:
undetectable		 5ef3F-4umvA:
7.07
5ef3G-4umvA:
7.07
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.
5EWZ_B_BEZB301_0
(14-3-3 PROTEIN
ZETA/DELTA)		 5mps SMALL NUCLEAR
RIBONUCLEOPROTEIN SM
D1
(Saccharomyces
cerevisiae) 		3 / 3 MET h  36
GLN h  35
ARG h  88
 U  5 173 ( 4.6A)
U  5 172 ( 3.8A)
U  5 171 ( 2.9A)
 1.09A 5ewzB-5mpsh:
undetectable		 5ewzB-5mpsh:
19.82
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.
5GQB_A_GCSA603_1
(CHITINASE)		 3lo0 INORGANIC
PYROPHOSPHATASE
(Ehrlichia
chaffeensis) 		4 / 8 GLY A  57
GLU A  21
ASP A  43
ARG A  44
 None
None
None
SO4  A 173 ( 4.8A)
 1.06A 5gqbA-3lo0A:
undetectable		 5gqbA-3lo0A:
15.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HFJ_D_SAMD301_0
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))		 3lo0 INORGANIC
PYROPHOSPHATASE
(Ehrlichia
chaffeensis) 		5 / 12 ASP A  34
PRO A  69
GLY A  57
GLU A  21
TYR A  56
 None
None
None
None
SO4  A 173 (-4.4A)
 1.14A 5hfjD-3lo0A:
undetectable		 5hfjD-3lo0A:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HFJ_F_SAMF301_0
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))		 3lo0 INORGANIC
PYROPHOSPHATASE
(Ehrlichia
chaffeensis) 		5 / 12 ASP A  34
PRO A  69
GLY A  57
GLU A  21
TYR A  56
 None
None
None
None
SO4  A 173 (-4.4A)
 1.14A 5hfjF-3lo0A:
undetectable		 5hfjF-3lo0A:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HYR_B_ESTB601_1
(ESTROGEN RECEPTOR)		 3eyk HEMAGGLUTININ HA1
CHAIN
HEMAGGLUTININ HA2
CHAIN
(Influenza
A
virus) 		5 / 11 LEU B  99
ALA B  96
LEU A 318
MET A 319
LEU A 320
 EYK  B 173 (-4.6A)
None
None
None
None
 1.46A 5hyrB-3eykB:
undetectable		 5hyrB-3eykB:
19.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I3C_B_AC2B301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4g41 MTA/SAH NUCLEOSIDASE
(Streptococcus
pyogenes) 		5 / 10 VAL A 171
GLU A 172
MET A 173
GLU A 174
ILE A 158
 VAL  A 171 ( 0.6A)
GLU  A 172 ( 0.5A)
MET  A 173 ( 0.0A)
GLU  A 174 ( 0.6A)
ILE  A 158 ( 0.7A)
 0.79A 5i3cB-4g41A:
24.9		 5i3cB-4g41A:
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.
5I3C_C_AC2C301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4g41 MTA/SAH NUCLEOSIDASE
(Streptococcus
pyogenes) 		5 / 11 VAL A 171
GLU A 172
MET A 173
GLU A 174
ILE A 158
 VAL  A 171 ( 0.6A)
GLU  A 172 ( 0.5A)
MET  A 173 ( 0.0A)
GLU  A 174 ( 0.6A)
ILE  A 158 ( 0.7A)
 0.79A 5i3cC-4g41A:
24.8		 5i3cC-4g41A:
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.
5I3C_C_AC2C301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 4g41 MTA/SAH NUCLEOSIDASE
(Streptococcus
pyogenes) 		5 / 11 VAL A 171
GLU A 172
MET A 173
GLU A 174
SER A 196
 VAL  A 171 ( 0.6A)
GLU  A 172 ( 0.5A)
MET  A 173 ( 0.0A)
GLU  A 174 ( 0.6A)
SER  A 196 ( 0.0A)
 0.69A 5i3cC-4g41A:
24.8		 5i3cC-4g41A:
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.
5IY5_A_CUA601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.59A 5iy5A-2c11A:
undetectable		 5iy5A-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IY5_N_CUN602_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.59A 5iy5N-2c11A:
undetectable		 5iy5N-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JGL_B_SAMB301_0
(UBIE/COQ5 FAMILY
METHYLTRANSFERASE,
PUTATIVE)		 4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP
(Thermotoga
maritima) 		5 / 12 ALA A 653
GLY A 657
ALA A 649
LEU A 702
ALA A 495
 None
None
None
None
K  A1733 (-3.7A)
 1.20A 5jglB-4av6A:
undetectable		 5jglB-4av6A:
17.80
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.
5JGL_B_SAMB301_0
(UBIE/COQ5 FAMILY
METHYLTRANSFERASE,
PUTATIVE)		 4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP
(Thermotoga
maritima) 		5 / 12 ALA A 653
GLY A 657
LEU A 651
ALA A 649
ALA A 495
 None
None
None
None
K  A1733 (-3.7A)
 1.31A 5jglB-4av6A:
undetectable		 5jglB-4av6A:
17.80
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.
5JH7_B_6K9B503_0
(TUBULIN BETA-2B
CHAIN)		 2xn1 ALPHA-GALACTOSIDASE
(Lactobacillus
acidophilus) 		5 / 11 GLN A 168
VAL A 139
THR A 136
TYR A 108
LEU A 141
 None
None
None
None
GOL  A1736 ( 3.3A)
 1.34A 5jh7B-2xn1A:
undetectable		 5jh7B-2xn1A:
20.16
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.
5KOC_A_SAMA401_0
(PAVINE
N-METHYLTRANSFERASE)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		5 / 12 GLY A 144
ASP A 154
VAL A 155
THR A 156
LEU A 125
 None
NAG  A1731 ( 4.1A)
None
NAG  A1730 ( 4.3A)
None
 0.73A 5kocA-2c11A:
undetectable		 5kocA-2c11A:
18.87
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.
5KR1_B_017B101_1
(PROTEASE PR5-DRV)		 4mwt LYSOSOMAL PROTECTIVE
PROTEIN
(Homo
sapiens) 		5 / 10 LEU A  54
ALA A 160
ILE A 364
GLY A 173
ILE A 156
 LEU  A  54 ( 0.6A)
ALA  A 160 ( 0.0A)
ILE  A 364 ( 0.7A)
GLY  A 173 ( 0.0A)
ILE  A 156 ( 0.7A)
 1.06A 5kr1A-4mwtA:
undetectable		 5kr1A-4mwtA:
13.16
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.
5KR2_C_ROCC101_2
(PROTEASE PR5-SQV)		 1o94 TRIMETHYLAMINE
DEHYDROGENASE
(Methylophilus
methylotrophus) 		5 / 9 LEU A 650
GLY A 668
ILE A 666
VAL A 395
ILE A 485
 ADP  A1731 ( 4.6A)
None
None
ADP  A1731 (-4.7A)
None
 1.04A 5kr2D-1o94A:
undetectable		 5kr2D-1o94A:
10.14
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.
5M35_B_BEZB302_0
(14-3-3 PROTEIN
ZETA/DELTA)		 5mps SMALL NUCLEAR
RIBONUCLEOPROTEIN SM
D1
(Saccharomyces
cerevisiae) 		3 / 3 MET h  36
GLN h  35
ARG h  88
 U  5 173 ( 4.6A)
U  5 172 ( 3.8A)
U  5 171 ( 2.9A)
 1.13A 5m35B-5mpsh:
undetectable		 5m35B-5mpsh:
19.47
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.
5M36_A_BEZA303_0
(14-3-3 PROTEIN
ZETA/DELTA)		 5mps SMALL NUCLEAR
RIBONUCLEOPROTEIN SM
D1
(Saccharomyces
cerevisiae) 		3 / 3 MET h  36
GLN h  35
ARG h  88
 U  5 173 ( 4.6A)
U  5 172 ( 3.8A)
U  5 171 ( 2.9A)
 1.12A 5m36A-5mpsh:
undetectable		 5m36A-5mpsh:
19.47
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.
5N5J_A_HAEA306_1
(MACROPHAGE
METALLOELASTASE)		 2y0o PROBABLE D-LYXOSE
KETOL-ISOMERASE
(Bacillus
subtilis) 		4 / 4 HIS A 137
GLU A  82
HIS A  71
HIS A  69
 ZN  A1173 (-3.4A)
ZN  A1173 (-2.6A)
ZN  A1173 (-3.4A)
ZN  A1173 (-3.6A)
 1.05A 5n5jA-2y0oA:
undetectable		 5n5jA-2y0oA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N5K_A_HAEA306_1
(MACROPHAGE
METALLOELASTASE)		 2y0o PROBABLE D-LYXOSE
KETOL-ISOMERASE
(Bacillus
subtilis) 		4 / 5 HIS A 137
GLU A  82
HIS A  71
HIS A  69
 ZN  A1173 (-3.4A)
ZN  A1173 (-2.6A)
ZN  A1173 (-3.4A)
ZN  A1173 (-3.6A)
 1.02A 5n5kA-2y0oA:
undetectable		 5n5kA-2y0oA:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NNA_A_BZMA301_0
(ISATIN HYDROLASE A)		 1w6j LANOSTEROL SYNTHASE
(Homo
sapiens) 		5 / 12 ILE A 338
TRP A 230
GLY A 336
GLY A 380
HIS A 232
 R71  A1733 (-4.8A)
None
None
R71  A1733 (-4.3A)
R71  A1733 (-3.5A)
 1.15A 5nnaA-1w6jA:
undetectable		 5nnaA-1w6jA:
16.55
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.
5NNA_B_BZMB301_0
(ISATIN HYDROLASE A)		 1w6j LANOSTEROL SYNTHASE
(Homo
sapiens) 		5 / 12 ILE A 338
TRP A 230
GLY A 336
GLY A 380
HIS A 232
 R71  A1733 (-4.8A)
None
None
R71  A1733 (-4.3A)
R71  A1733 (-3.5A)
 1.14A 5nnaB-1w6jA:
undetectable		 5nnaB-1w6jA:
16.55
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.
5NNA_C_BZMC301_0
(ISATIN HYDROLASE A)		 1w6j LANOSTEROL SYNTHASE
(Homo
sapiens) 		5 / 12 ILE A 338
TRP A 230
GLY A 336
GLY A 380
HIS A 232
 R71  A1733 (-4.8A)
None
None
R71  A1733 (-4.3A)
R71  A1733 (-3.5A)
 1.14A 5nnaC-1w6jA:
undetectable		 5nnaC-1w6jA:
16.55
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.
5NNA_D_BZMD301_0
(ISATIN HYDROLASE A)		 1w6j LANOSTEROL SYNTHASE
(Homo
sapiens) 		5 / 12 ILE A 338
TRP A 230
GLY A 336
GLY A 380
HIS A 232
 R71  A1733 (-4.8A)
None
None
R71  A1733 (-4.3A)
R71  A1733 (-3.5A)
 1.15A 5nnaD-1w6jA:
undetectable		 5nnaD-1w6jA:
16.55
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.
5TZO_A_7V7A201_1
(ENDO-1,4-BETA-XYLANA
SE A)		 3r9r PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE
(Mycobacteroides
abscessus) 		4 / 8 THR A 181
TYR A 180
THR A 176
ARG A 173
 THR  A 181 ( 0.8A)
TYR  A 180 ( 1.3A)
THR  A 176 ( 0.8A)
ARG  A 173 ( 0.6A)
 1.40A 5tzoA-3r9rA:
undetectable		 5tzoA-3r9rA:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V0V_A_8QSA615_1
(SERUM ALBUMIN)		 1o94 TRIMETHYLAMINE
DEHYDROGENASE
(Methylophilus
methylotrophus) 		4 / 8 TYR A  25
ARG A 222
LEU A  56
ILE A 165
 None
FMN  A1730 (-2.8A)
None
None
 0.86A 5v0vA-1o94A:
undetectable		 5v0vA-1o94A:
21.25
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.
5W97_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.66A 5w97a-2c11A:
undetectable		 5w97a-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WAU_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.63A 5waua-2c11A:
undetectable		 5waua-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WK9_A_CAMA503_0
(CAMPHOR
5-MONOOXYGENASE)		 4std SCYTALONE
DEHYDRATASE
(Magnaporthe
grisea) 		4 / 7 PHE A  53
TYR A  50
VAL A  75
VAL A 108
 None
BFS  A 173 (-4.3A)
BFS  A 173 (-4.5A)
BFS  A 173 ( 4.4A)
 1.04A 5wk9A-4stdA:
undetectable		 5wk9A-4stdA:
18.48
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.
5WYQ_B_SAMB301_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB
(Mycobacterium
tuberculosis) 		5 / 12 PRO A 140
GLY A  67
LEU A 118
GLY A 117
GLY A 116
 COA  A1730 (-4.2A)
COA  A1730 ( 4.3A)
None
None
None
 0.88A 5wyqB-4b3iA:
undetectable		 5wyqB-4b3iA:
16.92
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.
5X19_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.60A 5x19A-2c11A:
undetectable		 5x19A-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X19_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.63A 5x19N-2c11A:
undetectable		 5x19N-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X1B_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.63A 5x1bA-2c11A:
undetectable		 5x1bA-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X1B_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.64A 5x1bN-2c11A:
undetectable		 5x1bN-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X1F_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.64A 5x1fA-2c11A:
undetectable		 5x1fA-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X1F_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.63A 5x1fN-2c11A:
undetectable		 5x1fN-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X23_A_LSNA502_2
(CYTOCHROME P450 2C9)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		3 / 3 LEU A 342
VAL A 384
ASP A 379
 GOL  A1733 (-4.6A)
CL  A1798 ( 3.9A)
PGR  A1760 ( 4.3A)
 0.64A 5x23A-2xe4A:
undetectable		 5x23A-2xe4A:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X7Z_A_BHAA201_0
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)		 2xw7 DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		4 / 6 LEU A  73
VAL A  49
LEU A 100
VAL A 111
 NDP  A1173 (-4.0A)
None
None
None
 0.95A 5x7zA-2xw7A:
undetectable		 5x7zA-2xw7A:
23.28
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.
5XDQ_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.58A 5xdqA-2c11A:
undetectable		 5xdqA-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XDQ_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.60A 5xdqN-2c11A:
undetectable		 5xdqN-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XDX_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.61A 5xdxA-2c11A:
undetectable		 5xdxA-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XDX_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.62A 5xdxN-2c11A:
undetectable		 5xdxN-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Y7P_C_CHDC401_0
(BILE SALT HYDROLASE)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB
(Mycobacterium
tuberculosis) 		4 / 8 LEU A 197
LEU A 114
ALA A 113
LEU A 137
 None
COA  A1730 ( 4.4A)
None
None
 0.85A 5y7pC-4b3iA:
undetectable		 5y7pC-4b3iA:
18.03
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.
5YBB_B_SAMB601_1
(TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLTRANSFERASE
SUBUNIT)		 2xn1 ALPHA-GALACTOSIDASE
(Lactobacillus
acidophilus) 		4 / 7 ALA A 550
GLY A 533
GLU A 206
THR A 566
 None
TRS  A1733 (-4.4A)
None
None
 0.78A 5ybbB-2xn1A:
undetectable		 5ybbB-2xn1A:
21.79
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.
5YCP_A_BRLA501_0
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 1o94 TRIMETHYLAMINE
DEHYDROGENASE
(Methylophilus
methylotrophus) 		5 / 12 CYH A 348
SER A 271
ILE A 352
LEU A 428
LEU A 437
 SF4  A1732 (-2.3A)
None
FMN  A1730 (-4.3A)
None
None
 1.45A 5ycpA-1o94A:
0.0		 5ycpA-1o94A:
9.48
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.
5Z84_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.53A 5z84A-2c11A:
undetectable		 5z84A-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z84_N_CUN604_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.56A 5z84N-2c11A:
undetectable		 5z84N-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z85_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.56A 5z85A-2c11A:
undetectable		 5z85A-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z85_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.54A 5z85N-2c11A:
undetectable		 5z85N-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z86_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.55A 5z86A-2c11A:
undetectable		 5z86A-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z86_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.60A 5z86N-2c11A:
undetectable		 5z86N-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZBD_A_TRPA501_0
(FLAVIN-DEPENDENT
L-TRYPTOPHAN OXIDASE
VIOA)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		5 / 10 TYR A 335
LEU A 173
ASP A 172
VAL A 142
GLY A 143
 TYR  A 335 ( 1.3A)
LEU  A 173 ( 0.6A)
ASP  A 172 ( 0.6A)
VAL  A 142 ( 0.6A)
GLY  A 143 ( 0.0A)
 1.47A 5zbdA-2nvvA:
0.0		 5zbdA-2nvvA:
21.98
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.
5ZBD_B_TRPB501_0
(FLAVIN-DEPENDENT
L-TRYPTOPHAN OXIDASE
VIOA)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		5 / 10 TYR A 335
LEU A 173
ASP A 172
VAL A 142
GLY A 143
 TYR  A 335 ( 1.3A)
LEU  A 173 ( 0.6A)
ASP  A 172 ( 0.6A)
VAL  A 142 ( 0.6A)
GLY  A 143 ( 0.0A)
 1.43A 5zbdB-2nvvA:
0.0		 5zbdB-2nvvA:
21.98
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.
5ZCO_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.56A 5zcoA-2c11A:
undetectable		 5zcoA-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCO_N_CUN604_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.53A 5zcoN-2c11A:
undetectable		 5zcoN-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCP_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.53A 5zcpA-2c11A:
undetectable		 5zcpA-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCP_N_CUN604_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.56A 5zcpN-2c11A:
undetectable		 5zcpN-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCQ_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.52A 5zcqA-2c11A:
undetectable		 5zcqA-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCQ_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.53A 5zcqN-2c11A:
undetectable		 5zcqN-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZRD_A_CUA607_0
(TYROSINASE)		 2y0o PROBABLE D-LYXOSE
KETOL-ISOMERASE
(Bacillus
subtilis) 		3 / 3 HIS A  69
HIS A 137
HIS A  71
 ZN  A1173 (-3.6A)
ZN  A1173 (-3.4A)
ZN  A1173 (-3.4A)
 0.44A 5zrdA-2y0oA:
undetectable		 5zrdA-2y0oA:
16.55
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.
6B0C_D_TA1D502_1
(TUBULIN BETA CHAIN)		 4std SCYTALONE
DEHYDRATASE
(Magnaporthe
grisea) 		5 / 12 ALA A  27
SER A  29
LEU A 106
GLY A 146
LEU A 147
 None
None
BFS  A 173 (-4.5A)
None
None
 0.95A 6b0cD-4stdA:
undetectable		 6b0cD-4stdA:
18.90
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.
6BRD_B_RFPB502_1
(RIFAMPIN
MONOOXYGENASE)		 2xn1 ALPHA-GALACTOSIDASE
(Lactobacillus
acidophilus) 		5 / 12 HIS A 203
ARG A 377
GLY A 372
GLY A 532
GLY A 533
 GOL  A1734 ( 4.4A)
None
None
GOL  A1734 ( 3.3A)
TRS  A1733 (-4.4A)
 1.17A 6brdB-2xn1A:
undetectable		 6brdB-2xn1A:
7.87
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.
6BXN_A_SAMA901_0
(DIPHTHAMIDE
BIOSYNTHESIS ENZYME
DPH2)		 1w6j LANOSTEROL SYNTHASE
(Homo
sapiens) 		5 / 12 HIS A 232
VAL A 346
ILE A 323
ASP A 326
ASP A 327
 R71  A1733 (-3.5A)
None
None
None
None
 1.45A 6bxnA-1w6jA:
undetectable		 6bxnA-1w6jA:
18.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CDU_A_EY4A502_0
(CHIMERIC ALPHA1GABAA
RECEPTOR)		 1o94 TRIMETHYLAMINE
DEHYDROGENASE
(Methylophilus
methylotrophus) 		4 / 7 ALA A 155
TYR A 151
VAL A 166
PRO A  28
 None
None
None
FMN  A1730 (-4.8A)
 0.92A 6cduA-1o94A:
0.0
6cduE-1o94A:
0.0		 6cduA-1o94A:
17.78
6cduE-1o94A:
17.78
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.
6CDU_E_EY4E500_0
(CHIMERIC ALPHA1GABAA
RECEPTOR)		 1o94 TRIMETHYLAMINE
DEHYDROGENASE
(Methylophilus
methylotrophus) 		4 / 8 VAL A 166
PRO A  28
ALA A 155
TYR A 151
 None
FMN  A1730 (-4.8A)
None
None
 0.91A 6cduD-1o94A:
undetectable
6cduE-1o94A:
undetectable		 6cduD-1o94A:
17.78
6cduE-1o94A:
17.78
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.
6CDU_G_EY4G501_0
(CHIMERIC ALPHA1GABAA
RECEPTOR)		 4g9k ROTENONE-INSENSITIVE
NADH-UBIQUINONE
OXIDOREDUCTASE
(Saccharomyces
cerevisiae) 		4 / 7 ILE A 173
VAL A  56
ILE A  72
THR A  74
 ILE  A 173 ( 0.4A)
VAL  A  56 ( 0.6A)
ILE  A  72 ( 0.4A)
THR  A  74 ( 0.8A)
 0.92A 6cduF-4g9kA:
undetectable
6cduG-4g9kA:
undetectable		 6cduF-4g9kA:
20.88
6cduG-4g9kA:
20.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CDU_H_EY4H500_0
(CHIMERIC ALPHA1GABAA
RECEPTOR)		 1o94 TRIMETHYLAMINE
DEHYDROGENASE
(Methylophilus
methylotrophus) 		4 / 7 VAL A 166
PRO A  28
ALA A 155
TYR A 151
 None
FMN  A1730 (-4.8A)
None
None
 0.92A 6cduH-1o94A:
undetectable
6cduI-1o94A:
0.0		 6cduH-1o94A:
17.78
6cduI-1o94A:
17.78
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.
6CJK_C_ACTC301_0
(IMMUNOGLOBULIN FAB
LIGHT CHAIN)		 1o94 TRIMETHYLAMINE
DEHYDROGENASE
(Methylophilus
methylotrophus) 		4 / 4 VAL A 228
GLY A 259
ASP A 260
ASP A 267
 None
None
None
FMN  A1730 (-2.6A)
 1.40A 6cjkC-1o94A:
undetectable		 6cjkC-1o94A:
15.99
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.
6DH0_A_017A101_2
(PROTEASE)		 3q62 3-HYDROXYDECANOYL-[A
CYL-CARRIER-PROTEIN]
DEHYDRATASE
(Yersinia
pestis) 		3 / 3 LEU A 107
ASP A 145
ILE A 129
 MES  A 173 (-4.8A)
None
None
 0.65A 6dh0B-3q62A:
undetectable		 6dh0B-3q62A:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EKZ_A_SNPA414_0
(AROMATIC
PEROXYGENASE)		 4mni TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT
(Polaromonas
sp.
JS666) 		4 / 5 PHE A 319
VAL A 172
PRO A 103
VAL A 315
 None
173  A 401 (-4.6A)
None
None
 1.31A 6ekzA-4mniA:
undetectable		 6ekzA-4mniA:
13.46
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.
6FN9_A_BEZA302_0
(14-3-3 PROTEIN
ZETA/DELTA)		 5mps SMALL NUCLEAR
RIBONUCLEOPROTEIN SM
D1
(Saccharomyces
cerevisiae) 		3 / 3 MET h  36
GLN h  35
ARG h  88
 U  5 173 ( 4.6A)
U  5 172 ( 3.8A)
U  5 171 ( 2.9A)
 1.13A 6fn9A-5mpsh:
undetectable		 6fn9A-5mpsh:
19.82
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.
6FNB_A_BEZA301_0
(14-3-3 PROTEIN
ZETA/DELTA)		 5mps SMALL NUCLEAR
RIBONUCLEOPROTEIN SM
D1
(Saccharomyces
cerevisiae) 		3 / 3 MET h  36
GLN h  35
ARG h  88
 U  5 173 ( 4.6A)
U  5 172 ( 3.8A)
U  5 171 ( 2.9A)
 1.12A 6fnbA-5mpsh:
undetectable		 6fnbA-5mpsh:
19.82
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.
6G31_D_ZOLD401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 4c1o BETA-XYLOSIDASE
(Parageobacillus
thermoglucosidas
ius) 		4 / 7 LEU A 368
ASP A 367
ARG A 715
GLN A 450
 GOL  A1737 ( 4.9A)
GOL  A1737 (-2.8A)
GOL  A1737 (-3.3A)
None
 1.01A 6g31D-4c1oA:
2.7		 6g31D-4c1oA:
8.72
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.
6G31_J_ZOLJ401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 4c1o BETA-XYLOSIDASE
(Parageobacillus
thermoglucosidas
ius) 		4 / 6 LEU A 368
ASP A 367
ARG A 715
GLN A 450
 GOL  A1737 ( 4.9A)
GOL  A1737 (-2.8A)
GOL  A1737 (-3.3A)
None
 0.92A 6g31J-4c1oA:
undetectable		 6g31J-4c1oA:
8.72
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.
6GTQ_B_ACTB207_0
(DUF1778
DOMAIN-CONTAINING
PROTEIN
N-ACETYLTRANSFERASE)		 5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGS
FAD-BINDING SUBUNIT
(Escherichia
coli) 		4 / 6 LEU C 358
CYH C 696
GLY C 353
ARG C 440
 None
None
None
ACT  C1739 (-3.5A)
 1.32A 6gtqB-5g5gC:
0.3
6gtqD-5g5gC:
undetectable		 6gtqB-5g5gC:
13.70
6gtqD-5g5gC:
5.84
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.
6HU9_A_CUA601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.70A 6hu9a-2c11A:
undetectable		 6hu9a-2c11A:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HU9_M_CUM601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.68A 6hu9m-2c11A:
undetectable		 6hu9m-2c11A:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6IFT_A_SAMA301_1
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A)		 2xn1 ALPHA-GALACTOSIDASE
(Lactobacillus
acidophilus) 		4 / 5 GLU A 717
ASP A 714
ASN A 594
TYR A 726
 None
None
None
GOL  A1737 ( 4.3A)
 0.96A 6iftA-2xn1A:
undetectable		 6iftA-2xn1A:
17.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6JMJ_A_ASCA201_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)		 1o6b PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE
(Bacillus
subtilis) 		4 / 5 GLY A   9
HIS A  18
SER A 128
SER A 129
 ADP  A 173 (-3.3A)
ADP  A 173 ( 3.9A)
PO4  A 170 (-4.6A)
PO4  A 170 (-3.4A)
 0.47A 6jmjA-1o6bA:
25.2		 6jmjA-1o6bA:
42.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6JNH_A_ASCA201_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)		 1o6b PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE
(Bacillus
subtilis) 		6 / 7 GLY A   9
PHE A  11
HIS A  18
ARG A  91
SER A 128
SER A 129
 ADP  A 173 (-3.3A)
ADP  A 173 (-3.8A)
ADP  A 173 ( 3.9A)
None
PO4  A 170 (-4.6A)
PO4  A 170 (-3.4A)
 0.52A 6jnhA-1o6bA:
25.3		 6jnhA-1o6bA:
42.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6JOG_A_ASCA201_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)		 1o6b PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE
(Bacillus
subtilis) 		5 / 6 GLY A   9
HIS A  18
ARG A  91
SER A 128
SER A 129
 ADP  A 173 (-3.3A)
ADP  A 173 ( 3.9A)
None
PO4  A 170 (-4.6A)
PO4  A 170 (-3.4A)
 0.56A 6jogA-1o6bA:
25.3		 6jogA-1o6bA:
42.33
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.
6MHT_D_SAMD328_0
(CYTOSINE-SPECIFIC
METHYLTRANSFERASE
HHAI)		 4c1o BETA-XYLOSIDASE
(Parageobacillus
thermoglucosidas
ius) 		5 / 12 PHE A 185
GLY A  52
GLY A  49
ASP A  55
ILE A 215
 None
None
EDO  A1735 (-2.9A)
None
None
 1.10A 6mhtA-4c1oA:
undetectable		 6mhtA-4c1oA:
18.47
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.
6NKN_A_CUA601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.57A 6nknA-2c11A:
undetectable		 6nknA-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NKN_N_CUN602_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.57A 6nknN-2c11A:
undetectable		 6nknN-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NMF_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.62A 6nmfA-2c11A:
undetectable		 6nmfA-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NMF_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.67A 6nmfN-2c11A:
undetectable		 6nmfN-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NMP_A_CUA601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.64A 6nmpA-2c11A:
undetectable		 6nmpA-2c11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NMP_N_CUN601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c11 MEMBRANE COPPER
AMINE OXIDASE
(Homo
sapiens) 		3 / 3 HIS A 684
HIS A 520
HIS A 522
 CU  A1737 (-3.1A)
CU  A1737 (-3.4A)
CU  A1737 (-3.1A)
 0.63A 6nmpN-2c11A:
undetectable		 6nmpN-2c11A:
21.37