SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '541'


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.
1GTN_C_TRPC81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 1knr L-ASPARTATE OXIDASE
(Escherichia
coli) 		5 / 10 THR A 259
SER A 389
ALA A 388
GLY A 264
THR A 119
 CL  A 541 (-3.9A)
FAD  A 800 (-4.3A)
None
None
None
 1.13A 1gtnB-1knrA:
undetectable
1gtnC-1knrA:
undetectable		 1gtnB-1knrA:
9.07
1gtnC-1knrA:
9.07
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)		 1knr L-ASPARTATE OXIDASE
(Escherichia
coli) 		5 / 10 THR A 259
SER A 389
ALA A 388
GLY A 264
THR A 119
 CL  A 541 (-3.9A)
FAD  A 800 (-4.3A)
None
None
None
 1.14A 1gtnH-1knrA:
undetectable
1gtnI-1knrA:
undetectable		 1gtnH-1knrA:
9.07
1gtnI-1knrA:
9.07
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_O_TRPO81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 1knr L-ASPARTATE OXIDASE
(Escherichia
coli) 		5 / 10 GLY A 264
HIS A 131
THR A 259
SER A 389
ALA A 388
 None
None
CL  A 541 (-3.9A)
FAD  A 800 (-4.3A)
None
 1.19A 1gtnO-1knrA:
undetectable
1gtnP-1knrA:
undetectable		 1gtnO-1knrA:
9.07
1gtnP-1knrA:
9.07
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_O_TRPO81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 1knr L-ASPARTATE OXIDASE
(Escherichia
coli) 		5 / 10 GLY A 264
THR A 119
THR A 259
SER A 389
ALA A 388
 None
None
CL  A 541 (-3.9A)
FAD  A 800 (-4.3A)
None
 1.24A 1gtnO-1knrA:
undetectable
1gtnP-1knrA:
undetectable		 1gtnO-1knrA:
9.07
1gtnP-1knrA:
9.07
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_Q_TRPQ81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 1knr L-ASPARTATE OXIDASE
(Escherichia
coli) 		5 / 9 GLY A 264
THR A 119
THR A 259
SER A 389
ALA A 388
 None
None
CL  A 541 (-3.9A)
FAD  A 800 (-4.3A)
None
 1.22A 1gtnQ-1knrA:
undetectable
1gtnR-1knrA:
undetectable		 1gtnQ-1knrA:
9.07
1gtnR-1knrA:
9.07
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_U_TRPU81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 1knr L-ASPARTATE OXIDASE
(Escherichia
coli) 		5 / 10 GLY A 264
HIS A 131
THR A 259
SER A 389
ALA A 388
 None
None
CL  A 541 (-3.9A)
FAD  A 800 (-4.3A)
None
 1.15A 1gtnU-1knrA:
undetectable
1gtnV-1knrA:
undetectable		 1gtnU-1knrA:
9.07
1gtnV-1knrA:
9.07
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.
1HXB_A_ROCA100_4
(HIV-1 PROTEASE)		 2vl7 XPD
(Sulfurisphaera
tokodaii) 		4 / 4 GLY A  75
ASP A 146
GLY A  47
THR A  40
 None
None
None
PO4  A1541 ( 4.8A)
 0.81A 1hxbB-2vl7A:
undetectable		 1hxbB-2vl7A:
11.48
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.
1MX1_E_THAE5_1
(LIVER
CARBOXYLESTERASE I)		 3js8 CHOLESTEROL OXIDASE
(Chromobacterium
sp.
DS-1) 		5 / 12 LEU A  68
GLY A 203
VAL A 202
LEU A 540
LEU A 521
 FAD  A 541 (-4.1A)
FAD  A 541 ( 3.7A)
None
None
None
 1.45A 1mx1E-3js8A:
undetectable		 1mx1E-3js8A:
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.
1NBH_A_SAMA293_1
(GLYCINE
N-METHYLTRANSFERASE)		 2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1
(Gracilariopsis
lemaneiformis) 		3 / 3 ARG A 643
ASP A 900
ASN A1027
 None
GOL  A1541 (-3.5A)
None
 0.93A 1nbhA-2x2iA:
undetectable		 1nbhA-2x2iA:
14.30
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.
1NBH_D_SAMD3293_1
(GLYCINE
N-METHYLTRANSFERASE)		 2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1
(Gracilariopsis
lemaneiformis) 		3 / 3 ARG A 643
ASP A 900
ASN A1027
 None
GOL  A1541 (-3.5A)
None
 0.92A 1nbhD-2x2iA:
undetectable		 1nbhD-2x2iA:
14.30
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.
1ONI_I_BEZI518_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 5gpr CHITINASE
(Ostrinia
furnacalis) 		4 / 7 ILE A 541
GLY A 539
ASN A 176
ASN A 142
 ILE  A 541 ( 0.7A)
GLY  A 539 ( 0.0A)
ASN  A 176 ( 0.6A)
ASN  A 142 ( 0.6A)
 1.01A 1oniG-5gprA:
undetectable
1oniI-5gprA:
0.8		 1oniG-5gprA:
14.23
1oniI-5gprA:
14.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OS2_A_HAEA874_1
(MACROPHAGE
METALLOELASTASE)		 2fv5 ADAM 17
(Homo
sapiens) 		4 / 5 HIS A 405
GLU A 406
HIS A 409
HIS A 415
 ZN  A   3 ( 3.2A)
541  A   1 (-2.6A)
ZN  A   3 ( 3.3A)
ZN  A   3 ( 3.2A)
 0.28A 1os2A-2fv5A:
9.5		 1os2A-2fv5A:
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.
1OS2_D_HAED574_1
(MACROPHAGE
METALLOELASTASE)		 2fv5 ADAM 17
(Homo
sapiens) 		4 / 4 HIS A 405
GLU A 406
HIS A 409
HIS A 415
 ZN  A   3 ( 3.2A)
541  A   1 (-2.6A)
ZN  A   3 ( 3.3A)
ZN  A   3 ( 3.2A)
 0.25A 1os2D-2fv5A:
9.6		 1os2D-2fv5A:
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.
1R55_A_097A518_1
(ADAM 33)		 2fv5 ADAM 17
(Homo
sapiens) 		5 / 10 THR A 347
HIS A 405
GLU A 406
HIS A 409
ALA A 439
 541  A   1 (-3.6A)
ZN  A   3 ( 3.2A)
541  A   1 (-2.6A)
ZN  A   3 ( 3.3A)
541  A   1 (-3.9A)
 1.04A 1r55A-2fv5A:
21.3		 1r55A-2fv5A:
27.10
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.
1R55_A_097A518_1
(ADAM 33)		 2fv5 ADAM 17
(Homo
sapiens) 		5 / 10 THR A 347
HIS A 405
GLU A 406
HIS A 409
HIS A 415
 541  A   1 (-3.6A)
ZN  A   3 ( 3.2A)
541  A   1 (-2.6A)
ZN  A   3 ( 3.3A)
ZN  A   3 ( 3.2A)
 0.28A 1r55A-2fv5A:
21.3		 1r55A-2fv5A:
27.10
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.
1RG9_A_SAMA385_0
(S-ADENOSYLMETHIONINE
SYNTHETASE)		 1knr L-ASPARTATE OXIDASE
(Escherichia
coli) 		4 / 8 HIS A 244
PRO A 245
SER A 389
THR A 119
 CL  A 541 (-4.8A)
None
FAD  A 800 (-4.3A)
None
 1.21A 1rg9A-1knrA:
undetectable		 1rg9A-1knrA:
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.
1RG9_B_SAMB485_1
(S-ADENOSYLMETHIONINE
SYNTHETASE)		 1knr L-ASPARTATE OXIDASE
(Escherichia
coli) 		4 / 8 HIS A 244
PRO A 245
SER A 389
THR A 119
 CL  A 541 (-4.8A)
None
FAD  A 800 (-4.3A)
None
 1.21A 1rg9B-1knrA:
undetectable		 1rg9B-1knrA:
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.
1RG9_C_SAMC685_1
(S-ADENOSYLMETHIONINE
SYNTHETASE)		 1knr L-ASPARTATE OXIDASE
(Escherichia
coli) 		4 / 8 HIS A 244
PRO A 245
SER A 389
THR A 119
 CL  A 541 (-4.8A)
None
FAD  A 800 (-4.3A)
None
 1.22A 1rg9D-1knrA:
undetectable		 1rg9D-1knrA:
20.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TUF_B_AZ1B503_1
(DIAMINOPIMELATE
DECARBOXYLASE)		 1ko0 DIAMINOPIMELATE
DECARBOXYLASE
(Escherichia
coli) 		4 / 6 ARG A 271
ARG A 307
TYR A 311
TYR A 378
 LYS  A 541 ( 3.3A)
LYS  A 541 (-4.0A)
LYS  A 541 ( 4.4A)
LYS  A 541 (-3.4A)
 0.88A 1tufA-1ko0A:
42.0
1tufB-1ko0A:
42.4		 1tufA-1ko0A:
32.05
1tufB-1ko0A:
32.05
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.
1U72_A_MTXA188_1
(DIHYDROFOLATE
REDUCTASE)		 1yt8 THIOSULFATE
SULFURTRANSFERASE
(Pseudomonas
aeruginosa) 		5 / 12 ALA A 446
LEU A 442
GLN A 419
PRO A  47
LEU A  75
 None
None
None
GOL  A 541 (-4.6A)
None
 1.31A 1u72A-1yt8A:
undetectable		 1u72A-1yt8A:
15.40
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.
1UTD_T_TRPT81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 1knr L-ASPARTATE OXIDASE
(Escherichia
coli) 		5 / 10 GLY A 264
HIS A 131
THR A 259
SER A 389
ALA A 388
 None
None
CL  A 541 (-3.9A)
FAD  A 800 (-4.3A)
None
 1.17A 1utdT-1knrA:
undetectable
1utdU-1knrA:
undetectable		 1utdT-1knrA:
9.07
1utdU-1knrA:
9.07
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.
1UTD_T_TRPT81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 1knr L-ASPARTATE OXIDASE
(Escherichia
coli) 		5 / 10 GLY A 264
THR A 119
THR A 259
SER A 389
ALA A 388
 None
None
CL  A 541 (-3.9A)
FAD  A 800 (-4.3A)
None
 1.19A 1utdT-1knrA:
undetectable
1utdU-1knrA:
undetectable		 1utdT-1knrA:
9.07
1utdU-1knrA:
9.07
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.
1UTT_A_HAEA1265_1
(MACROPHAGE
METALLOELASTASE)		 2fv5 ADAM 17
(Homo
sapiens) 		4 / 4 HIS A 405
GLU A 406
HIS A 409
HIS A 415
 ZN  A   3 ( 3.2A)
541  A   1 (-2.6A)
ZN  A   3 ( 3.3A)
ZN  A   3 ( 3.2A)
 0.28A 1uttA-2fv5A:
10.0		 1uttA-2fv5A:
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.
1UTZ_A_HAEA1267_1
(MACROPHAGE
METALLOELASTASE)		 2fv5 ADAM 17
(Homo
sapiens) 		4 / 4 HIS A 405
GLU A 406
HIS A 409
HIS A 415
 ZN  A   3 ( 3.2A)
541  A   1 (-2.6A)
ZN  A   3 ( 3.3A)
ZN  A   3 ( 3.2A)
 0.29A 1utzA-2fv5A:
9.8		 1utzA-2fv5A:
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.
1UTZ_B_HAEB1266_1
(MACROPHAGE
METALLOELASTASE)		 2fv5 ADAM 17
(Homo
sapiens) 		4 / 4 HIS A 405
GLU A 406
HIS A 409
HIS A 415
 ZN  A   3 ( 3.2A)
541  A   1 (-2.6A)
ZN  A   3 ( 3.3A)
ZN  A   3 ( 3.2A)
 0.28A 1utzB-2fv5A:
9.8		 1utzB-2fv5A:
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.
1Y93_A_HAEA301_1
(MACROPHAGE
METALLOELASTASE)		 2fv5 ADAM 17
(Homo
sapiens) 		4 / 6 HIS A 405
GLU A 406
HIS A 409
HIS A 415
 ZN  A   3 ( 3.2A)
541  A   1 (-2.6A)
ZN  A   3 ( 3.3A)
ZN  A   3 ( 3.2A)
 0.26A 1y93A-2fv5A:
9.8		 1y93A-2fv5A:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FK8_A_SAMA302_0
(METHOXY MYCOLIC ACID
SYNTHASE 4)		 3gwf CYCLOHEXANONE
MONOOXYGENASE
(Rhodococcus
sp.
HI-31) 		5 / 12 THR A  47
TYR A  49
ILE A  14
GLY A  15
GLY A  17
 FAD  A 541 (-3.7A)
None
FAD  A 541 (-4.8A)
FAD  A 541 (-3.3A)
FAD  A 541 (-3.4A)
 0.98A 2fk8A-3gwfA:
undetectable		 2fk8A-3gwfA:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HU6_A_HAEA269_1
(MACROPHAGE
METALLOELASTASE)		 2fv5 ADAM 17
(Homo
sapiens) 		4 / 4 HIS A 405
GLU A 406
HIS A 409
HIS A 415
 ZN  A   3 ( 3.2A)
541  A   1 (-2.6A)
ZN  A   3 ( 3.3A)
ZN  A   3 ( 3.2A)
 0.22A 2hu6A-2fv5A:
9.9		 2hu6A-2fv5A:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_A_097A1001_1
(ADAMTS-1)		 2fv5 ADAM 17
(Homo
sapiens) 		5 / 9 LEU A 348
HIS A 405
GLU A 406
HIS A 409
HIS A 415
 541  A   1 (-4.4A)
ZN  A   3 ( 3.2A)
541  A   1 (-2.6A)
ZN  A   3 ( 3.3A)
ZN  A   3 ( 3.2A)
 0.29A 2jihA-2fv5A:
20.4		 2jihA-2fv5A:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_B_097B1001_1
(ADAMTS-1)		 2fv5 ADAM 17
(Homo
sapiens) 		5 / 8 LEU A 348
HIS A 405
GLU A 406
HIS A 409
HIS A 415
 541  A   1 (-4.4A)
ZN  A   3 ( 3.2A)
541  A   1 (-2.6A)
ZN  A   3 ( 3.3A)
ZN  A   3 ( 3.2A)
 0.23A 2jihB-2fv5A:
20.6		 2jihB-2fv5A:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JN3_A_JN3A130_2
(FATTY ACID-BINDING
PROTEIN, LIVER)		 2vl7 XPD
(Sulfurisphaera
tokodaii) 		4 / 7 LEU A 388
LEU A 456
PRO A  35
ARG A 507
 None
None
PO4  A1541 (-4.4A)
None
 1.00A 2jn3A-2vl7A:
undetectable		 2jn3A-2vl7A:
13.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNH_A_9CRA501_1
(CYTOCHROME P450 2C8)		 1ytm PHOSPHOENOLPYRUVATE
CARBOXYKINASE [ATP]
(Anaerobiospirill
um
succiniciproduce
ns) 		5 / 11 GLY A 247
SER A 252
SER A 227
ALA A 348
ILE A 456
 ATP  A 541 (-3.1A)
None
None
None
None
 0.95A 2nnhA-1ytmA:
undetectable		 2nnhA-1ytmA:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OKC_B_SAMB500_0
(TYPE I RESTRICTION
ENZYME STYSJI M
PROTEIN)		 5c05 PUTATIVE
GAMMA-TERPINENE
SYNTHASE
(Thymus
vulgaris) 		5 / 12 ALA A 543
ASN A 541
VAL A 206
ASN A 480
ARG A 564
 ALA  A 543 ( 0.0A)
ASN  A 541 (-0.6A)
VAL  A 206 ( 0.6A)
ASN  A 480 ( 0.6A)
ARG  A 564 ( 0.6A)
 1.12A 2okcB-5c05A:
undetectable		 2okcB-5c05A:
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.
2OW9_A_HAEA502_1
(COLLAGENASE 3)		 2fv5 ADAM 17
(Homo
sapiens) 		4 / 6 HIS A 405
GLU A 406
HIS A 409
HIS A 415
 ZN  A   3 ( 3.2A)
541  A   1 (-2.6A)
ZN  A   3 ( 3.3A)
ZN  A   3 ( 3.2A)
 0.33A 2ow9A-2fv5A:
9.6		 2ow9A-2fv5A:
22.64
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.
2OW9_B_HAEB502_1
(COLLAGENASE 3)		 2fv5 ADAM 17
(Homo
sapiens) 		4 / 4 HIS A 405
GLU A 406
HIS A 409
HIS A 415
 ZN  A   3 ( 3.2A)
541  A   1 (-2.6A)
ZN  A   3 ( 3.3A)
ZN  A   3 ( 3.2A)
 0.32A 2ow9B-2fv5A:
9.5		 2ow9B-2fv5A:
22.64
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.
2OZR_C_HAEC3001_1
(COLLAGENASE 3)		 2fv5 ADAM 17
(Homo
sapiens) 		4 / 4 HIS A 405
GLU A 406
HIS A 409
HIS A 415
 ZN  A   3 ( 3.2A)
541  A   1 (-2.6A)
ZN  A   3 ( 3.3A)
ZN  A   3 ( 3.2A)
 0.34A 2ozrC-2fv5A:
9.2		 2ozrC-2fv5A:
22.64
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.
2OZR_D_HAED3002_1
(COLLAGENASE 3)		 2fv5 ADAM 17
(Homo
sapiens) 		4 / 4 HIS A 405
GLU A 406
HIS A 409
HIS A 415
 ZN  A   3 ( 3.2A)
541  A   1 (-2.6A)
ZN  A   3 ( 3.3A)
ZN  A   3 ( 3.2A)
 0.31A 2ozrD-2fv5A:
9.3		 2ozrD-2fv5A:
22.64
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.
2OZR_E_HAEE3003_1
(COLLAGENASE 3)		 2fv5 ADAM 17
(Homo
sapiens) 		4 / 4 HIS A 405
GLU A 406
HIS A 409
HIS A 415
 ZN  A   3 ( 3.2A)
541  A   1 (-2.6A)
ZN  A   3 ( 3.3A)
ZN  A   3 ( 3.2A)
 0.31A 2ozrE-2fv5A:
9.4		 2ozrE-2fv5A:
22.64
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.
2QEO_B_LNRB200_1
(D7R4 PROTEIN)		 1yt8 THIOSULFATE
SULFURTRANSFERASE
(Pseudomonas
aeruginosa) 		5 / 10 GLU A 313
ARG A 154
HIS A 316
GLU A 495
ASP A 156
 None
None
GOL  A 541 (-3.7A)
None
None
 1.23A 2qeoB-1yt8A:
0.0		 2qeoB-1yt8A:
10.39
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.
2RK8_A_PPFA3969_1
(PHOSPHOENOLPYRUVATE
CARBOXYKINASE,
CYTOSOLIC [GTP])		 1ytm PHOSPHOENOLPYRUVATE
CARBOXYKINASE [ATP]
(Anaerobiospirill
um
succiniciproduce
ns) 		7 / 8 ARG A  60
LYS A 205
LYS A 206
HIS A 225
SER A 244
ASP A 263
ARG A 327
 OXD  A 543 (-4.1A)
OXD  A 543 ( 4.2A)
MN  A 999 ( 2.4A)
MN  A 999 (-3.4A)
OXD  A 543 ( 2.3A)
MN  A 999 (-2.5A)
ATP  A 541 ( 2.8A)
 0.70A 2rk8A-1ytmA:
30.7		 2rk8A-1ytmA:
23.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2RK8_B_PPFB3969_1
(PHOSPHOENOLPYRUVATE
CARBOXYKINASE,
CYTOSOLIC [GTP])		 1ytm PHOSPHOENOLPYRUVATE
CARBOXYKINASE [ATP]
(Anaerobiospirill
um
succiniciproduce
ns) 		7 / 7 ARG A  60
LYS A 205
LYS A 206
HIS A 225
SER A 244
ASP A 263
ARG A 327
 OXD  A 543 (-4.1A)
OXD  A 543 ( 4.2A)
MN  A 999 ( 2.4A)
MN  A 999 (-3.4A)
OXD  A 543 ( 2.3A)
MN  A 999 (-2.5A)
ATP  A 541 ( 2.8A)
 0.73A 2rk8B-1ytmA:
29.2		 2rk8B-1ytmA:
23.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DH0_A_SAMA220_1
(SAM DEPENDENT
METHYLTRANSFERASE)		 1knr L-ASPARTATE OXIDASE
(Escherichia
coli) 		4 / 8 ASP A 134
GLN A  50
MET A 327
GLU A 121
 None
None
None
CL  A 541 ( 4.2A)
 1.37A 3dh0A-1knrA:
2.4		 3dh0A-1knrA:
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.
3F8W_B_ADNB301_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 3sql GLYCOSYL HYDROLASE
FAMILY 3
(Synechococcus
sp.
PCC
7002) 		5 / 12 SER A 204
GLY A 198
GLY A 196
ASN A 156
VAL A 158
 ACY  A 541 ( 3.8A)
None
None
None
None
 1.30A 3f8wB-3sqlA:
undetectable		 3f8wB-3sqlA:
20.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HY7_A_097A801_1
(A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 5)		 2fv5 ADAM 17
(Homo
sapiens) 		6 / 9 LEU A 348
HIS A 405
GLU A 406
HIS A 409
HIS A 415
ILE A 438
 541  A   1 (-4.4A)
ZN  A   3 ( 3.2A)
541  A   1 (-2.6A)
ZN  A   3 ( 3.3A)
ZN  A   3 ( 3.2A)
None
 0.43A 3hy7A-2fv5A:
20.0		 3hy7A-2fv5A:
23.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HY7_B_097B801_1
(A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 5)		 2fv5 ADAM 17
(Homo
sapiens) 		6 / 9 LEU A 348
HIS A 405
GLU A 406
HIS A 409
HIS A 415
ILE A 438
 541  A   1 (-4.4A)
ZN  A   3 ( 3.2A)
541  A   1 (-2.6A)
ZN  A   3 ( 3.3A)
ZN  A   3 ( 3.2A)
None
 0.37A 3hy7B-2fv5A:
20.0		 3hy7B-2fv5A:
23.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEC_A_HAEA272_1
(COLLAGENASE 3)		 2fv5 ADAM 17
(Homo
sapiens) 		4 / 5 HIS A 405
GLU A 406
HIS A 409
HIS A 415
 ZN  A   3 ( 3.2A)
541  A   1 (-2.6A)
ZN  A   3 ( 3.3A)
ZN  A   3 ( 3.2A)
 0.29A 3kecA-2fv5A:
9.7		 3kecA-2fv5A:
22.64
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.
3LIK_A_HAEA302_1
(MACROPHAGE
METALLOELASTASE)		 2fv5 ADAM 17
(Homo
sapiens) 		4 / 5 HIS A 405
GLU A 406
HIS A 409
HIS A 415
 ZN  A   3 ( 3.2A)
541  A   1 (-2.6A)
ZN  A   3 ( 3.3A)
ZN  A   3 ( 3.2A)
 0.27A 3likA-2fv5A:
9.9		 3likA-2fv5A:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LIL_A_HAEA302_1
(MACROPHAGE
METALLOELASTASE)		 2fv5 ADAM 17
(Homo
sapiens) 		4 / 4 HIS A 405
GLU A 406
HIS A 409
HIS A 415
 ZN  A   3 ( 3.2A)
541  A   1 (-2.6A)
ZN  A   3 ( 3.3A)
ZN  A   3 ( 3.2A)
 0.28A 3lilA-2fv5A:
9.8		 3lilA-2fv5A:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LJG_A_HAEA301_1
(MACROPHAGE
METALLOELASTASE)		 2fv5 ADAM 17
(Homo
sapiens) 		4 / 5 HIS A 405
GLU A 406
HIS A 409
HIS A 415
 ZN  A   3 ( 3.2A)
541  A   1 (-2.6A)
ZN  A   3 ( 3.3A)
ZN  A   3 ( 3.2A)
 0.26A 3ljgA-2fv5A:
10.0		 3ljgA-2fv5A:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LKA_A_HAEA269_1
(MACROPHAGE
METALLOELASTASE)		 2fv5 ADAM 17
(Homo
sapiens) 		4 / 5 HIS A 405
GLU A 406
HIS A 409
HIS A 415
 ZN  A   3 ( 3.2A)
541  A   1 (-2.6A)
ZN  A   3 ( 3.3A)
ZN  A   3 ( 3.2A)
 0.24A 3lkaA-2fv5A:
9.9		 3lkaA-2fv5A:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MZE_A_CFXA364_2
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACA)		 3js8 CHOLESTEROL OXIDASE
(Chromobacterium
sp.
DS-1) 		3 / 3 SER A 531
SER A 532
HIS A 201
 None
None
FAD  A 541 (-4.2A)
 0.82A 3mzeA-3js8A:
undetectable		 3mzeA-3js8A:
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.
3O9M_B_BEZB999_0
(CHOLINESTERASE)		 3js8 CHOLESTEROL OXIDASE
(Chromobacterium
sp.
DS-1) 		4 / 6 GLY A 137
GLY A 136
LEU A 171
HIS A 201
 FAD  A 541 (-3.4A)
FAD  A 541 (-3.8A)
None
FAD  A 541 (-4.2A)
 0.77A 3o9mB-3js8A:
undetectable		 3o9mB-3js8A:
22.83
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.
3SFU_A_RBVA601_1
(RNA POLYMERASE)		 4mtp RNA DEPENDENT RNA
POLYMERASE
(Japanese
encephalitis
virus) 		5 / 9 ASP A 541
ASN A 613
GLY A 667
ASP A 668
ASP A 669
 ASP  A 541 ( 0.6A)
ASN  A 613 ( 0.6A)
GLY  A 667 ( 0.0A)
ASP  A 668 ( 0.6A)
ASP  A 669 ( 0.6A)
 1.06A 3sfuA-4mtpA:
19.2		 3sfuA-4mtpA:
22.02
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.
3SFU_A_RBVA601_1
(RNA POLYMERASE)		 4mtp RNA DEPENDENT RNA
POLYMERASE
(Japanese
encephalitis
virus) 		5 / 9 ASP A 541
SER A 604
ASN A 613
GLY A 667
ASP A 668
 ASP  A 541 ( 0.6A)
SER  A 604 ( 0.0A)
ASN  A 613 ( 0.6A)
GLY  A 667 ( 0.0A)
ASP  A 668 ( 0.6A)
 1.04A 3sfuA-4mtpA:
19.2		 3sfuA-4mtpA:
22.02
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.
3SFU_B_RBVB601_1
(RNA POLYMERASE)		 4mtp RNA DEPENDENT RNA
POLYMERASE
(Japanese
encephalitis
virus) 		5 / 9 ASP A 541
ASN A 613
GLY A 667
ASP A 668
ASP A 669
 ASP  A 541 ( 0.6A)
ASN  A 613 ( 0.6A)
GLY  A 667 ( 0.0A)
ASP  A 668 ( 0.6A)
ASP  A 669 ( 0.6A)
 1.01A 3sfuB-4mtpA:
21.6		 3sfuB-4mtpA:
22.02
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.
3SFU_C_RBVC601_1
(RNA POLYMERASE)		 4mtp RNA DEPENDENT RNA
POLYMERASE
(Japanese
encephalitis
virus) 		5 / 11 ASP A 541
SER A 604
ASN A 613
GLY A 667
ASP A 668
 ASP  A 541 ( 0.6A)
SER  A 604 ( 0.0A)
ASN  A 613 ( 0.6A)
GLY  A 667 ( 0.0A)
ASP  A 668 ( 0.6A)
 1.04A 3sfuC-4mtpA:
19.6		 3sfuC-4mtpA:
22.02
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.
3SFU_C_RBVC601_1
(RNA POLYMERASE)		 4mtp RNA DEPENDENT RNA
POLYMERASE
(Japanese
encephalitis
virus) 		5 / 11 ASP A 541
SER A 604
THR A 609
ASN A 613
GLY A 667
 ASP  A 541 ( 0.6A)
SER  A 604 ( 0.0A)
THR  A 609 ( 0.8A)
ASN  A 613 ( 0.6A)
GLY  A 667 ( 0.0A)
 1.11A 3sfuC-4mtpA:
19.6		 3sfuC-4mtpA:
22.02
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.
3W9T_A_W9TA1001_1
(HEMOLYTIC LECTIN
CEL-III)		 3ke6 PROTEIN
RV1364C/MT1410
(Mycobacterium
tuberculosis) 		4 / 5 ASP A 211
VAL A 213
GLY A 214
ASP A 387
 MN  A   2 ( 2.5A)
MN  A 541 ( 4.7A)
None
MN  A   2 (-2.6A)
 0.86A 3w9tA-3ke6A:
undetectable		 3w9tA-3ke6A:
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.
3W9T_A_W9TA1001_1
(HEMOLYTIC LECTIN
CEL-III)		 3ke6 PROTEIN
RV1364C/MT1410
(Mycobacterium
tuberculosis) 		4 / 5 ASP A 211
VAL A 213
GLY A 214
ASP A 388
 MN  A   2 ( 2.5A)
MN  A 541 ( 4.7A)
None
None
 1.08A 3w9tA-3ke6A:
undetectable		 3w9tA-3ke6A:
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.
3W9T_B_W9TB503_1
(HEMOLYTIC LECTIN
CEL-III)		 3ke6 PROTEIN
RV1364C/MT1410
(Mycobacterium
tuberculosis) 		4 / 5 ASP A 211
VAL A 213
GLY A 214
ASP A 387
 MN  A   2 ( 2.5A)
MN  A 541 ( 4.7A)
None
MN  A   2 (-2.6A)
 0.87A 3w9tB-3ke6A:
undetectable		 3w9tB-3ke6A:
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.
3W9T_B_W9TB503_1
(HEMOLYTIC LECTIN
CEL-III)		 3ke6 PROTEIN
RV1364C/MT1410
(Mycobacterium
tuberculosis) 		4 / 5 ASP A 211
VAL A 213
GLY A 214
ASP A 388
 MN  A   2 ( 2.5A)
MN  A 541 ( 4.7A)
None
None
 1.08A 3w9tB-3ke6A:
undetectable		 3w9tB-3ke6A:
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.
3W9T_C_W9TC1001_1
(HEMOLYTIC LECTIN
CEL-III)		 3ke6 PROTEIN
RV1364C/MT1410
(Mycobacterium
tuberculosis) 		4 / 5 ASP A 211
VAL A 213
GLY A 214
ASP A 387
 MN  A   2 ( 2.5A)
MN  A 541 ( 4.7A)
None
MN  A   2 (-2.6A)
 0.86A 3w9tC-3ke6A:
undetectable		 3w9tC-3ke6A:
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.
3W9T_C_W9TC1001_1
(HEMOLYTIC LECTIN
CEL-III)		 3ke6 PROTEIN
RV1364C/MT1410
(Mycobacterium
tuberculosis) 		4 / 5 ASP A 211
VAL A 213
GLY A 214
ASP A 388
 MN  A   2 ( 2.5A)
MN  A 541 ( 4.7A)
None
None
 1.09A 3w9tC-3ke6A:
undetectable		 3w9tC-3ke6A:
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.
3W9T_D_W9TD502_1
(HEMOLYTIC LECTIN
CEL-III)		 3ke6 PROTEIN
RV1364C/MT1410
(Mycobacterium
tuberculosis) 		4 / 5 ASP A 211
VAL A 213
GLY A 214
ASP A 387
 MN  A   2 ( 2.5A)
MN  A 541 ( 4.7A)
None
MN  A   2 (-2.6A)
 0.86A 3w9tD-3ke6A:
undetectable		 3w9tD-3ke6A:
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.
3W9T_D_W9TD502_1
(HEMOLYTIC LECTIN
CEL-III)		 3ke6 PROTEIN
RV1364C/MT1410
(Mycobacterium
tuberculosis) 		4 / 5 ASP A 211
VAL A 213
GLY A 214
ASP A 388
 MN  A   2 ( 2.5A)
MN  A 541 ( 4.7A)
None
None
 1.07A 3w9tD-3ke6A:
undetectable		 3w9tD-3ke6A:
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.
3W9T_E_W9TE504_1
(HEMOLYTIC LECTIN
CEL-III)		 3ke6 PROTEIN
RV1364C/MT1410
(Mycobacterium
tuberculosis) 		4 / 5 ASP A 211
VAL A 213
GLY A 214
ASP A 387
 MN  A   2 ( 2.5A)
MN  A 541 ( 4.7A)
None
MN  A   2 (-2.6A)
 0.86A 3w9tE-3ke6A:
undetectable		 3w9tE-3ke6A:
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.
3W9T_E_W9TE504_1
(HEMOLYTIC LECTIN
CEL-III)		 3ke6 PROTEIN
RV1364C/MT1410
(Mycobacterium
tuberculosis) 		4 / 5 ASP A 211
VAL A 213
GLY A 214
ASP A 388
 MN  A   2 ( 2.5A)
MN  A 541 ( 4.7A)
None
None
 1.07A 3w9tE-3ke6A:
undetectable		 3w9tE-3ke6A:
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.
3W9T_F_W9TF504_1
(HEMOLYTIC LECTIN
CEL-III)		 3ke6 PROTEIN
RV1364C/MT1410
(Mycobacterium
tuberculosis) 		4 / 5 ASP A 211
VAL A 213
GLY A 214
ASP A 387
 MN  A   2 ( 2.5A)
MN  A 541 ( 4.7A)
None
MN  A   2 (-2.6A)
 0.87A 3w9tF-3ke6A:
undetectable		 3w9tF-3ke6A:
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.
3W9T_F_W9TF504_1
(HEMOLYTIC LECTIN
CEL-III)		 3ke6 PROTEIN
RV1364C/MT1410
(Mycobacterium
tuberculosis) 		4 / 5 ASP A 211
VAL A 213
GLY A 214
ASP A 388
 MN  A   2 ( 2.5A)
MN  A 541 ( 4.7A)
None
None
 1.09A 3w9tF-3ke6A:
undetectable		 3w9tF-3ke6A:
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.
3W9T_G_W9TG504_1
(HEMOLYTIC LECTIN
CEL-III)		 3ke6 PROTEIN
RV1364C/MT1410
(Mycobacterium
tuberculosis) 		4 / 5 ASP A 211
VAL A 213
GLY A 214
ASP A 387
 MN  A   2 ( 2.5A)
MN  A 541 ( 4.7A)
None
MN  A   2 (-2.6A)
 0.86A 3w9tG-3ke6A:
undetectable		 3w9tG-3ke6A:
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.
3W9T_G_W9TG504_1
(HEMOLYTIC LECTIN
CEL-III)		 3ke6 PROTEIN
RV1364C/MT1410
(Mycobacterium
tuberculosis) 		4 / 5 ASP A 211
VAL A 213
GLY A 214
ASP A 388
 MN  A   2 ( 2.5A)
MN  A 541 ( 4.7A)
None
None
 1.07A 3w9tG-3ke6A:
undetectable		 3w9tG-3ke6A:
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.
4A7B_A_HAEA1273_1
(COLLAGENASE 3)		 2fv5 ADAM 17
(Homo
sapiens) 		4 / 6 HIS A 405
GLU A 406
HIS A 409
HIS A 415
 ZN  A   3 ( 3.2A)
541  A   1 (-2.6A)
ZN  A   3 ( 3.3A)
ZN  A   3 ( 3.2A)
 0.41A 4a7bA-2fv5A:
9.3		 4a7bA-2fv5A:
23.64
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.
4BLV_B_SAMB1281_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J)		 1ytm PHOSPHOENOLPYRUVATE
CARBOXYKINASE [ATP]
(Anaerobiospirill
um
succiniciproduce
ns) 		5 / 12 LYS A 206
GLY A 242
GLY A 404
LEU A 251
ASP A 263
 MN  A 999 ( 2.4A)
None
None
ATP  A 541 ( 4.5A)
MN  A 999 (-2.5A)
 1.13A 4blvB-1ytmA:
undetectable		 4blvB-1ytmA:
20.33
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.
4FFW_B_715B801_1
(DIPEPTIDYL PEPTIDASE
4)		 1knr L-ASPARTATE OXIDASE
(Escherichia
coli) 		5 / 12 ARG A 290
GLU A 260
GLU A 121
GLY A 123
HIS A 351
 CL  A 541 ( 4.6A)
None
CL  A 541 ( 4.2A)
None
FAD  A 800 (-4.2A)
 1.37A 4ffwB-1knrA:
undetectable		 4ffwB-1knrA:
21.07
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.
4GC9_A_ACTA402_0
(DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL)		 3pqs TRANSFERRIN-BINDING
PROTEIN
(Actinobacillus
pleuropneumoniae) 		3 / 3 LYS A 523
TYR A 397
ARG A 524
 None
None
GOL  A 541 ( 3.9A)
 1.35A 4gc9A-3pqsA:
undetectable		 4gc9A-3pqsA:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GH8_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)		 3js8 CHOLESTEROL OXIDASE
(Chromobacterium
sp.
DS-1) 		5 / 12 ILE A 141
ALA A 200
LEU A 540
ILE A 500
PRO A 501
 FAD  A 541 (-4.5A)
None
None
None
None
 1.29A 4gh8B-3js8A:
undetectable		 4gh8B-3js8A:
14.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LV9_A_20JA602_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		 3gwf CYCLOHEXANONE
MONOOXYGENASE
(Rhodococcus
sp.
HI-31) 		4 / 7 VAL A 143
ILE A 392
ILE A 394
ALA A 115
 FAD  A 541 (-3.8A)
FAD  A 541 (-4.5A)
None
None
 0.78A 4lv9A-3gwfA:
undetectable		 4lv9A-3gwfA:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NKV_A_AERA601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 1ytm PHOSPHOENOLPYRUVATE
CARBOXYKINASE [ATP]
(Anaerobiospirill
um
succiniciproduce
ns) 		5 / 12 LEU A 251
ARG A 450
GLY A 451
VAL A 433
VAL A 365
 ATP  A 541 ( 4.5A)
None
None
None
None
 0.97A 4nkvA-1ytmA:
undetectable		 4nkvA-1ytmA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OBW_C_SAMC601_0
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)		 3gwf CYCLOHEXANONE
MONOOXYGENASE
(Rhodococcus
sp.
HI-31) 		5 / 12 ASN A  51
GLY A 190
SER A 188
ILE A 184
GLY A 182
 FAD  A 541 (-4.1A)
None
NAP  A 542 (-2.9A)
NAP  A 542 (-4.7A)
None
 1.21A 4obwC-3gwfA:
2.5		 4obwC-3gwfA:
17.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QZT_A_RTLA201_1
(RETINOL-BINDING
PROTEIN 2)		 1ytm PHOSPHOENOLPYRUVATE
CARBOXYKINASE [ATP]
(Anaerobiospirill
um
succiniciproduce
ns) 		3 / 3 PHE A 511
THR A 246
LEU A 432
 None
ATP  A 541 (-4.8A)
None
 0.72A 4qztA-1ytmA:
undetectable		 4qztA-1ytmA:
14.76
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.
4UDA_A_DEXA1985_2
(MINERALOCORTICOID
RECEPTOR)		 2fv5 ADAM 17
(Homo
sapiens) 		4 / 6 LEU A 251
PHE A 338
THR A 385
VAL A 402
 None
None
None
541  A   1 ( 4.1A)
 1.09A 4udaA-2fv5A:
undetectable		 4udaA-2fv5A:
24.44
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.
4YO9_B_ACTB401_0
(3C-LIKE PROTEINASE)		 3t63 PROTOCATECHUATE
3,4-DIOXYGENASE BETA
CHAIN
(Pseudomonas
putida) 		3 / 3 ARG M 522
ASP M 524
TYR M 436
 None
GOL  M 541 (-4.5A)
None
 0.93A 4yo9B-3t63M:
undetectable		 4yo9B-3t63M:
20.85
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.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		 3js8 CHOLESTEROL OXIDASE
(Chromobacterium
sp.
DS-1) 		4 / 8 SER A 163
GLY A 143
ALA A 106
GLY A 137
 None
FAD  A 541 (-3.2A)
FAD  A 541 (-3.3A)
FAD  A 541 (-3.4A)
 0.88A 5albL-3js8A:
undetectable		 5albL-3js8A:
18.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEU_F_TRPF101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 1knr L-ASPARTATE OXIDASE
(Escherichia
coli) 		5 / 10 THR A 259
SER A 389
ALA A 388
GLY A 264
THR A 119
 CL  A 541 (-3.9A)
FAD  A 800 (-4.3A)
None
None
None
 1.13A 5eeuF-1knrA:
undetectable
5eeuG-1knrA:
0.0		 5eeuF-1knrA:
9.07
5eeuG-1knrA:
9.07
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_P_TRPP101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 1knr L-ASPARTATE OXIDASE
(Escherichia
coli) 		5 / 10 GLY A 264
HIS A 131
THR A 259
SER A 389
ALA A 388
 None
None
CL  A 541 (-3.9A)
FAD  A 800 (-4.3A)
None
 1.19A 5eeuO-1knrA:
undetectable
5eeuP-1knrA:
undetectable		 5eeuO-1knrA:
9.07
5eeuP-1knrA:
9.07
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_R_TRPR101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 1knr L-ASPARTATE OXIDASE
(Escherichia
coli) 		5 / 10 GLY A 264
HIS A 131
THR A 259
SER A 389
ALA A 388
 None
None
CL  A 541 (-3.9A)
FAD  A 800 (-4.3A)
None
 1.18A 5eeuQ-1knrA:
undetectable
5eeuR-1knrA:
undetectable		 5eeuQ-1knrA:
9.07
5eeuR-1knrA:
9.07
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)		 1knr L-ASPARTATE OXIDASE
(Escherichia
coli) 		5 / 10 THR A 259
SER A 389
ALA A 388
GLY A 264
THR A 119
 CL  A 541 (-3.9A)
FAD  A 800 (-4.3A)
None
None
None
 1.13A 5eevF-1knrA:
undetectable
5eevG-1knrA:
0.0		 5eevF-1knrA:
9.07
5eevG-1knrA:
9.07
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_P_TRPP101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 1knr L-ASPARTATE OXIDASE
(Escherichia
coli) 		5 / 10 GLY A 264
HIS A 131
THR A 259
SER A 389
ALA A 388
 None
None
CL  A 541 (-3.9A)
FAD  A 800 (-4.3A)
None
 1.19A 5eevO-1knrA:
undetectable
5eevP-1knrA:
undetectable		 5eevO-1knrA:
9.07
5eevP-1knrA:
9.07
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_R_TRPR101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 1knr L-ASPARTATE OXIDASE
(Escherichia
coli) 		5 / 10 GLY A 264
HIS A 131
THR A 259
SER A 389
ALA A 388
 None
None
CL  A 541 (-3.9A)
FAD  A 800 (-4.3A)
None
 1.19A 5eevQ-1knrA:
undetectable
5eevR-1knrA:
undetectable		 5eevQ-1knrA:
9.07
5eevR-1knrA:
9.07
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)		 1knr L-ASPARTATE OXIDASE
(Escherichia
coli) 		5 / 10 THR A 259
SER A 389
ALA A 388
GLY A 264
THR A 119
 CL  A 541 (-3.9A)
FAD  A 800 (-4.3A)
None
None
None
 1.13A 5eewF-1knrA:
undetectable
5eewG-1knrA:
0.0		 5eewF-1knrA:
9.07
5eewG-1knrA:
9.07
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_P_TRPP101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 1knr L-ASPARTATE OXIDASE
(Escherichia
coli) 		5 / 10 GLY A 264
HIS A 131
THR A 259
SER A 389
ALA A 388
 None
None
CL  A 541 (-3.9A)
FAD  A 800 (-4.3A)
None
 1.19A 5eewO-1knrA:
undetectable
5eewP-1knrA:
undetectable		 5eewO-1knrA:
9.07
5eewP-1knrA:
9.07
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_R_TRPR101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 1knr L-ASPARTATE OXIDASE
(Escherichia
coli) 		5 / 10 GLY A 264
HIS A 131
THR A 259
SER A 389
ALA A 388
 None
None
CL  A 541 (-3.9A)
FAD  A 800 (-4.3A)
None
 1.19A 5eewQ-1knrA:
undetectable
5eewR-1knrA:
undetectable		 5eewQ-1knrA:
9.07
5eewR-1knrA:
9.07
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)		 1knr L-ASPARTATE OXIDASE
(Escherichia
coli) 		5 / 10 THR A 259
SER A 389
ALA A 388
GLY A 264
THR A 119
 CL  A 541 (-3.9A)
FAD  A 800 (-4.3A)
None
None
None
 1.13A 5eexF-1knrA:
undetectable
5eexG-1knrA:
0.0		 5eexF-1knrA:
9.07
5eexG-1knrA:
9.07
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_P_TRPP101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 1knr L-ASPARTATE OXIDASE
(Escherichia
coli) 		5 / 10 GLY A 264
HIS A 131
THR A 259
SER A 389
ALA A 388
 None
None
CL  A 541 (-3.9A)
FAD  A 800 (-4.3A)
None
 1.19A 5eexO-1knrA:
undetectable
5eexP-1knrA:
undetectable		 5eexO-1knrA:
9.07
5eexP-1knrA:
9.07
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)		 1knr L-ASPARTATE OXIDASE
(Escherichia
coli) 		5 / 10 THR A 259
SER A 389
ALA A 388
GLY A 264
THR A 119
 CL  A 541 (-3.9A)
FAD  A 800 (-4.3A)
None
None
None
 1.13A 5eeyF-1knrA:
undetectable
5eeyG-1knrA:
0.0		 5eeyF-1knrA:
9.07
5eeyG-1knrA:
9.07
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_P_TRPP101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 1knr L-ASPARTATE OXIDASE
(Escherichia
coli) 		5 / 10 GLY A 264
HIS A 131
THR A 259
SER A 389
ALA A 388
 None
None
CL  A 541 (-3.9A)
FAD  A 800 (-4.3A)
None
 1.19A 5eeyO-1knrA:
undetectable
5eeyP-1knrA:
undetectable		 5eeyO-1knrA:
9.07
5eeyP-1knrA:
9.07
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)		 1knr L-ASPARTATE OXIDASE
(Escherichia
coli) 		5 / 10 THR A 259
SER A 389
ALA A 388
GLY A 264
THR A 119
 CL  A 541 (-3.9A)
FAD  A 800 (-4.3A)
None
None
None
 1.13A 5eezF-1knrA:
undetectable
5eezG-1knrA:
0.0		 5eezF-1knrA:
9.07
5eezG-1knrA:
9.07
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_P_TRPP101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 1knr L-ASPARTATE OXIDASE
(Escherichia
coli) 		5 / 10 GLY A 264
HIS A 131
THR A 259
SER A 389
ALA A 388
 None
None
CL  A 541 (-3.9A)
FAD  A 800 (-4.3A)
None
 1.19A 5eezO-1knrA:
undetectable
5eezP-1knrA:
undetectable		 5eezO-1knrA:
9.07
5eezP-1knrA:
9.07
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)		 1knr L-ASPARTATE OXIDASE
(Escherichia
coli) 		5 / 10 THR A 259
SER A 389
ALA A 388
GLY A 264
THR A 119
 CL  A 541 (-3.9A)
FAD  A 800 (-4.3A)
None
None
None
 1.13A 5ef0F-1knrA:
undetectable
5ef0G-1knrA:
0.0		 5ef0F-1knrA:
9.07
5ef0G-1knrA:
9.07
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_P_TRPP101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 1knr L-ASPARTATE OXIDASE
(Escherichia
coli) 		5 / 10 GLY A 264
HIS A 131
THR A 259
SER A 389
ALA A 388
 None
None
CL  A 541 (-3.9A)
FAD  A 800 (-4.3A)
None
 1.19A 5ef0O-1knrA:
undetectable
5ef0P-1knrA:
undetectable		 5ef0O-1knrA:
9.07
5ef0P-1knrA:
9.07
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)		 1knr L-ASPARTATE OXIDASE
(Escherichia
coli) 		5 / 10 THR A 259
SER A 389
ALA A 388
GLY A 264
THR A 119
 CL  A 541 (-3.9A)
FAD  A 800 (-4.3A)
None
None
None
 1.14A 5ef1F-1knrA:
undetectable
5ef1G-1knrA:
0.0		 5ef1F-1knrA:
9.07
5ef1G-1knrA:
9.07
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_P_TRPP101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 1knr L-ASPARTATE OXIDASE
(Escherichia
coli) 		5 / 10 GLY A 264
HIS A 131
THR A 259
SER A 389
ALA A 388
 None
None
CL  A 541 (-3.9A)
FAD  A 800 (-4.3A)
None
 1.19A 5ef1O-1knrA:
undetectable
5ef1P-1knrA:
undetectable		 5ef1O-1knrA:
9.07
5ef1P-1knrA:
9.07
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)		 1knr L-ASPARTATE OXIDASE
(Escherichia
coli) 		5 / 10 THR A 259
SER A 389
ALA A 388
GLY A 264
THR A 119
 CL  A 541 (-3.9A)
FAD  A 800 (-4.3A)
None
None
None
 1.13A 5ef2F-1knrA:
undetectable
5ef2G-1knrA:
0.0		 5ef2F-1knrA:
9.07
5ef2G-1knrA:
9.07
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_P_TRPP101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 1knr L-ASPARTATE OXIDASE
(Escherichia
coli) 		5 / 10 GLY A 264
HIS A 131
THR A 259
SER A 389
ALA A 388
 None
None
CL  A 541 (-3.9A)
FAD  A 800 (-4.3A)
None
 1.19A 5ef2O-1knrA:
undetectable
5ef2P-1knrA:
undetectable		 5ef2O-1knrA:
9.07
5ef2P-1knrA:
9.07
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)		 1knr L-ASPARTATE OXIDASE
(Escherichia
coli) 		5 / 10 THR A 259
SER A 389
ALA A 388
GLY A 264
THR A 119
 CL  A 541 (-3.9A)
FAD  A 800 (-4.3A)
None
None
None
 1.13A 5ef3F-1knrA:
undetectable
5ef3G-1knrA:
0.0		 5ef3F-1knrA:
9.07
5ef3G-1knrA:
9.07
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_P_TRPP101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 1knr L-ASPARTATE OXIDASE
(Escherichia
coli) 		5 / 10 GLY A 264
HIS A 131
THR A 259
SER A 389
ALA A 388
 None
None
CL  A 541 (-3.9A)
FAD  A 800 (-4.3A)
None
 1.20A 5ef3O-1knrA:
undetectable
5ef3P-1knrA:
undetectable		 5ef3O-1knrA:
9.07
5ef3P-1knrA:
9.07
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.
5KF8_A_GCSA404_1
(PREDICTED
ACETYLTRANSFERASE)		 2vl7 XPD
(Sulfurisphaera
tokodaii) 		4 / 8 TRP A  11
GLU A 345
PRO A 509
GLY A  36
 None
None
None
PO4  A1541 (-4.0A)
 1.13A 5kf8A-2vl7A:
undetectable		 5kf8A-2vl7A:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KGP_A_GCSA407_1
(PREDICTED
ACETYLTRANSFERASE)		 2vl7 XPD
(Sulfurisphaera
tokodaii) 		4 / 8 TRP A  11
GLU A 345
PRO A 509
GLY A  36
 None
None
None
PO4  A1541 (-4.0A)
 1.13A 5kgpA-2vl7A:
undetectable		 5kgpA-2vl7A:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KGP_B_GCSB405_1
(PREDICTED
ACETYLTRANSFERASE)		 2vl7 XPD
(Sulfurisphaera
tokodaii) 		4 / 8 TRP A  11
GLU A 345
PRO A 509
GLY A  36
 None
None
None
PO4  A1541 (-4.0A)
 1.12A 5kgpB-2vl7A:
undetectable		 5kgpB-2vl7A:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LG3_A_Z80A401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 3js8 CHOLESTEROL OXIDASE
(Chromobacterium
sp.
DS-1) 		5 / 11 ILE A 195
PHE A 188
VAL A 168
ILE A 207
ALA A 173
 None
None
None
FAD  A 541 (-4.4A)
None
 1.13A 5lg3A-3js8A:
undetectable		 5lg3A-3js8A:
20.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LG3_E_Z80E401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 3js8 CHOLESTEROL OXIDASE
(Chromobacterium
sp.
DS-1) 		5 / 12 ILE A 195
PHE A 188
VAL A 168
ILE A 207
ALA A 173
 None
None
None
FAD  A 541 (-4.4A)
None
 1.09A 5lg3E-3js8A:
undetectable		 5lg3E-3js8A:
20.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N5J_A_HAEA306_1
(MACROPHAGE
METALLOELASTASE)		 2fv5 ADAM 17
(Homo
sapiens) 		4 / 4 HIS A 405
GLU A 406
HIS A 409
HIS A 415
 ZN  A   3 ( 3.2A)
541  A   1 (-2.6A)
ZN  A   3 ( 3.3A)
ZN  A   3 ( 3.2A)
 0.25A 5n5jA-2fv5A:
10.0		 5n5jA-2fv5A:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N5K_A_HAEA306_1
(MACROPHAGE
METALLOELASTASE)		 2fv5 ADAM 17
(Homo
sapiens) 		4 / 5 HIS A 405
GLU A 406
HIS A 409
HIS A 415
 ZN  A   3 ( 3.2A)
541  A   1 (-2.6A)
ZN  A   3 ( 3.3A)
ZN  A   3 ( 3.2A)
 0.25A 5n5kA-2fv5A:
10.0		 5n5kA-2fv5A:
24.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NWW_A_ACAA18_2
(SCRFP-TAG,GP41)		 3js8 CHOLESTEROL OXIDASE
(Chromobacterium
sp.
DS-1) 		3 / 3 LYS A 480
TRP A 490
SER A 479
 None
None
FAD  A 541 ( 4.0A)
 1.05A 5nwwA-3js8A:
undetectable		 5nwwA-3js8A:
6.45
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.
5NZW_A_9F2A1102_1
(DNA CROSS-LINK
REPAIR 1A PROTEIN)		 2bib TEICHOIC ACID
PHOSPHORYLCHOLINE
ESTERASE/ CHOLINE
BINDING PROTEIN
(Streptococcus
pneumoniae) 		5 / 10 HIS A  85
HIS A  87
HIS A  90
ASP A 203
HIS A 228
 ZN  A1550 (-3.3A)
ZN  A1550 ( 3.1A)
ZN  A1549 (-3.2A)
ZN  A1549 (-2.3A)
PC  A1541 (-3.9A)
 0.71A 5nzwA-2bibA:
7.4		 5nzwA-2bibA:
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.
6B89_A_NOVA403_1
(LIPOPOLYSACCHARIDE
EXPORT SYSTEM
ATP-BINDING PROTEIN
LPTB)		 1knr L-ASPARTATE OXIDASE
(Escherichia
coli) 		5 / 10 LEU A 257
HIS A 244
ALA A 247
PRO A 217
SER A 220
 FAD  A 800 (-4.3A)
CL  A 541 (-4.8A)
None
None
None
 1.50A 6b89A-1knrA:
undetectable		 6b89A-1knrA:
10.35
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.
6DYO_A_LDPA901_0
(EBONY)		 3js8 CHOLESTEROL OXIDASE
(Chromobacterium
sp.
DS-1) 		4 / 5 VAL A  42
LEU A 206
HIS A 201
THR A  84
 None
FAD  A 541 (-4.8A)
FAD  A 541 (-4.2A)
FAD  A 541 ( 4.5A)
 1.30A 6dyoA-3js8A:
undetectable		 6dyoA-3js8A:
10.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HIS_A_TKTA508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		 2hr7 INSULIN RECEPTOR
(Homo
sapiens) 		4 / 8 ASP A 132
ILE A 136
ARG A 181
ASN A 108
 None
None
GOL  A 595 (-3.3A)
NAG  A 541 (-3.6A)
 1.21A 6hisA-2hr7A:
undetectable
6hisB-2hr7A:
undetectable		 6hisA-2hr7A:
10.69
6hisB-2hr7A:
10.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HIS_B_TKTB508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		 2hr7 INSULIN RECEPTOR
(Homo
sapiens) 		4 / 8 ASP A 132
ILE A 136
ARG A 181
ASN A 108
 None
None
GOL  A 595 (-3.3A)
NAG  A 541 (-3.6A)
 1.22A 6hisB-2hr7A:
undetectable
6hisC-2hr7A:
undetectable		 6hisB-2hr7A:
10.69
6hisC-2hr7A:
10.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HIS_C_TKTC508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		 2hr7 INSULIN RECEPTOR
(Homo
sapiens) 		4 / 8 ASP A 132
ILE A 136
ARG A 181
ASN A 108
 None
None
GOL  A 595 (-3.3A)
NAG  A 541 (-3.6A)
 1.22A 6hisC-2hr7A:
undetectable
6hisD-2hr7A:
undetectable		 6hisC-2hr7A:
10.69
6hisD-2hr7A:
10.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HIS_D_TKTD501_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		 2hr7 INSULIN RECEPTOR
(Homo
sapiens) 		4 / 8 ASP A 132
ILE A 136
ARG A 181
ASN A 108
 None
None
GOL  A 595 (-3.3A)
NAG  A 541 (-3.6A)
 1.21A 6hisD-2hr7A:
undetectable
6hisE-2hr7A:
undetectable		 6hisD-2hr7A:
10.69
6hisE-2hr7A:
10.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HIS_E_TKTE501_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		 2hr7 INSULIN RECEPTOR
(Homo
sapiens) 		4 / 8 ASN A 108
ASP A 132
ILE A 136
ARG A 181
 NAG  A 541 (-3.6A)
None
None
GOL  A 595 (-3.3A)
 1.23A 6hisA-2hr7A:
undetectable
6hisE-2hr7A:
undetectable		 6hisA-2hr7A:
10.69
6hisE-2hr7A:
10.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HLO_A_GBQA1501_0
(SUBSTANCE-P
RECEPTOR,GLGA
GLYCOGEN
SYNTHASE,SUBSTANCE-P
RECEPTOR)		 1v0f ENDO-ALPHA-SIALIDASE
(Enterobacteria
phage
K1F) 		5 / 12 PRO A 548
ILE A 571
TYR A 541
HIS A 542
THR A 524
 PRO  A 548 ( 1.1A)
ILE  A 571 ( 0.7A)
TYR  A 541 ( 1.3A)
HIS  A 542 ( 1.0A)
THR  A 524 ( 0.9A)
 1.29A 6hloA-1v0fA:
0.0		 6hloA-1v0fA:
21.46