SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'A70'


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.
1HO5_A_ADNA1604_1
(5'-NUCLEOTIDASE)		 2pwh SUCROSE ISOMERASE
([Pseudomonas]
mesoacidophila) 		5 / 11 ILE A  28
GLY A 434
GLY A  25
PHE A 431
ASP A  22
 None
None
None
None
CA  A7001 (-3.0A)
 1.02A 1ho5A-2pwhA:
undetectable		 1ho5A-2pwhA:
22.68
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.
1J36_A_LPRA801_1
(ANGIOTENSIN
CONVERTING ENZYME)		 3u9w LEUKOTRIENE A-4
HYDROLASE
(Homo
sapiens) 		5 / 12 HIS A1295
GLU A1296
HIS A1299
GLU A1318
TYR A1383
 ZN  A2001 ( 3.2A)
28P  A7001 (-2.6A)
ZN  A2001 ( 3.2A)
ZN  A2001 ( 2.2A)
28P  A7001 (-4.6A)
 0.70A 1j36A-3u9wA:
4.2		 1j36A-3u9wA:
20.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1J36_B_LPRB802_1
(ANGIOTENSIN
CONVERTING ENZYME)		 3u9w LEUKOTRIENE A-4
HYDROLASE
(Homo
sapiens) 		5 / 12 HIS A1295
GLU A1296
HIS A1299
GLU A1318
TYR A1383
 ZN  A2001 ( 3.2A)
28P  A7001 (-2.6A)
ZN  A2001 ( 3.2A)
ZN  A2001 ( 2.2A)
28P  A7001 (-4.6A)
 0.70A 1j36B-3u9wA:
4.3		 1j36B-3u9wA:
20.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1J37_A_X8ZA801_1
(ANGIOTENSIN
CONVERTING ENZYME)		 3u9w LEUKOTRIENE A-4
HYDROLASE
(Homo
sapiens) 		5 / 11 HIS A1295
GLU A1296
HIS A1299
GLU A1318
TYR A1383
 ZN  A2001 ( 3.2A)
28P  A7001 (-2.6A)
ZN  A2001 ( 3.2A)
ZN  A2001 ( 2.2A)
28P  A7001 (-4.6A)
 0.70A 1j37A-3u9wA:
3.6		 1j37A-3u9wA:
20.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1J37_B_X8ZB802_1
(ANGIOTENSIN
CONVERTING ENZYME)		 3u9w LEUKOTRIENE A-4
HYDROLASE
(Homo
sapiens) 		5 / 11 HIS A1295
GLU A1296
HIS A1299
GLU A1318
TYR A1383
 ZN  A2001 ( 3.2A)
28P  A7001 (-2.6A)
ZN  A2001 ( 3.2A)
ZN  A2001 ( 2.2A)
28P  A7001 (-4.6A)
 0.70A 1j37B-3u9wA:
4.3		 1j37B-3u9wA:
20.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JQD_A_HSMA600_1
(HISTAMINE
N-METHYLTRANSFERASE)		 2og7 ASPARAGINE OXYGENASE
(Streptomyces
coelicolor) 		4 / 7 PHE A 216
GLU A 125
GLN A 132
ASN A 158
 None
AHB  A7002 (-3.2A)
None
AHB  A7002 (-3.5A)
 1.43A 1jqdA-2og7A:
0.8		 1jqdA-2og7A:
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.
1L5R_A_RBFA859_1
(GLYCOGEN
PHOSPHORYLASE, LIVER
FORM)		 2og7 ASPARAGINE OXYGENASE
(Streptomyces
coelicolor) 		5 / 11 ASN A  95
GLU A 125
ALA A 147
GLY A 148
PHE A 307
 None
AHB  A7002 (-3.2A)
None
None
None
 1.49A 1l5rA-2og7A:
undetectable		 1l5rA-2og7A:
17.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MAA_D_DMED999_1
(ACETYLCHOLINESTERASE)		 5a2r ANGIOTENSIN-CONVERTI
NG ENZYME
(Drosophila
melanogaster) 		4 / 8 GLY A 388
TYR A 378
GLU A 207
TYR A 344
 None
None
TRS  A7002 (-3.3A)
None
 1.04A 1maaD-5a2rA:
undetectable		 1maaD-5a2rA:
21.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MT1_G_AG2G7003_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)		 1n2m PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE
(Methanocaldococc
us
jannaschii) 		4 / 6 LEU A  31
ASP A  35
LEU A  38
GLY A  44
 MRD  A7006 ( 4.2A)
None
None
None
 0.15A 1mt1G-1n2mA:
3.4
1mt1J-1n2mA:
18.3		 1mt1G-1n2mA:
100.00
1mt1J-1n2mA:
67.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MT1_K_AG2K7002_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN)		 1n2m PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE
(Methanocaldococc
us
jannaschii) 		4 / 7 LEU A  31
ASP A  35
LEU A  38
GLY A  44
 MRD  A7006 ( 4.2A)
None
None
None
 0.19A 1mt1H-1n2mA:
18.1
1mt1K-1n2mA:
3.2		 1mt1H-1n2mA:
67.88
1mt1K-1n2mA:
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.
1N13_D_AG2D7015_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN)		 1mt1 PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
(Methanocaldococc
us
jannaschii) 		4 / 7 LEU A  31
ASP A  35
LEU A  38
GLY A  44
 AG2  A7005 ( 4.6A)
AG2  A7005 (-3.9A)
AG2  A7005 (-4.4A)
AG2  A7005 (-4.1A)
 0.16A 1n13D-1mt1A:
undetectable
1n13E-1mt1A:
6.5		 1n13D-1mt1A:
28.26
1n13E-1mt1A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1N13_D_AG2D7015_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN)		 1n2m PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE
(Methanocaldococc
us
jannaschii) 		4 / 7 LEU A  31
ASP A  35
LEU A  38
GLY A  44
 MRD  A7006 ( 4.2A)
None
None
None
 0.19A 1n13D-1n2mA:
18.2
1n13E-1n2mA:
3.0		 1n13D-1n2mA:
67.88
1n13E-1n2mA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1N13_F_AG2F7016_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)		 1mt1 PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
(Methanocaldococc
us
jannaschii) 		4 / 8 LEU A  31
ASP A  35
LEU A  38
GLY A  44
 AG2  A7005 ( 4.6A)
AG2  A7005 (-3.9A)
AG2  A7005 (-4.4A)
AG2  A7005 (-4.1A)
 0.17A 1n13A-1mt1A:
7.8
1n13F-1mt1A:
undetectable		 1n13A-1mt1A:
100.00
1n13F-1mt1A:
28.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1N13_F_AG2F7016_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)		 1n2m PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE
(Methanocaldococc
us
jannaschii) 		4 / 8 LEU A  31
ASP A  35
LEU A  38
GLY A  44
 MRD  A7006 ( 4.2A)
None
None
None
 0.20A 1n13A-1n2mA:
3.7
1n13F-1n2mA:
18.4		 1n13A-1n2mA:
100.00
1n13F-1n2mA:
67.88
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.
1N13_H_AG2H7012_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN)		 1mt1 PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
(Methanocaldococc
us
jannaschii) 		4 / 6 LEU A  31
ASP A  35
LEU A  38
GLY A  44
 AG2  A7005 ( 4.6A)
AG2  A7005 (-3.9A)
AG2  A7005 (-4.4A)
AG2  A7005 (-4.1A)
 0.13A 1n13H-1mt1A:
undetectable
1n13K-1mt1A:
7.0		 1n13H-1mt1A:
28.26
1n13K-1mt1A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1N13_H_AG2H7012_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN)		 1n2m PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE
(Methanocaldococc
us
jannaschii) 		4 / 6 LEU A  31
ASP A  35
LEU A  38
GLY A  44
 MRD  A7006 ( 4.2A)
None
None
None
 0.24A 1n13H-1n2mA:
18.3
1n13K-1n2mA:
3.3		 1n13H-1n2mA:
67.88
1n13K-1n2mA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1N13_J_AG2J7013_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)		 1mt1 PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
(Methanocaldococc
us
jannaschii) 		4 / 7 LEU A  31
ASP A  35
LEU A  38
GLY A  44
 AG2  A7005 ( 4.6A)
AG2  A7005 (-3.9A)
AG2  A7005 (-4.4A)
AG2  A7005 (-4.1A)
 0.14A 1n13G-1mt1A:
7.3
1n13J-1mt1A:
undetectable		 1n13G-1mt1A:
100.00
1n13J-1mt1A:
28.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1N13_J_AG2J7013_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)		 1n2m PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE
(Methanocaldococc
us
jannaschii) 		4 / 7 LEU A  31
ASP A  35
LEU A  38
GLY A  44
 MRD  A7006 ( 4.2A)
None
None
None
 0.20A 1n13G-1n2mA:
3.4
1n13J-1n2mA:
18.5		 1n13G-1n2mA:
100.00
1n13J-1n2mA:
67.88
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.
1NR6_A_DIFA501_1
(CYTOCHROME P450 2C5)		 2oo4 NEUROGENIC LOCUS
NOTCH HOMOLOG
PROTEIN 2
(Homo
sapiens) 		5 / 9 LEU A1625
ALA A1646
GLY A1570
LEU A1659
LEU A1650
 None
None
GOL  A7007 ( 3.7A)
None
None
 1.15A 1nr6A-2oo4A:
undetectable		 1nr6A-2oo4A:
19.16
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.
1NT6_A_DVAA6_0
(GRAMICIDIN C)		 3lrk ALPHA-GALACTOSIDASE
1
(Saccharomyces
cerevisiae) 		3 / 3 ALA A 310
VAL A 312
TRP A 397
 GOL  A7003 (-3.6A)
None
None
 0.87A 1nt6A-3lrkA:
undetectable		 1nt6A-3lrkA:
3.40
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.
1NT6_B_DVAB6_0
(GRAMICIDIN C)		 3lrk ALPHA-GALACTOSIDASE
1
(Saccharomyces
cerevisiae) 		3 / 3 ALA A 310
VAL A 312
TRP A 397
 GOL  A7003 (-3.6A)
None
None
 0.88A 1nt6B-3lrkA:
undetectable		 1nt6B-3lrkA:
3.40
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.
1O86_A_LPRA702_1
(ANGIOTENSIN
CONVERTING ENZYME)		 3u9w LEUKOTRIENE A-4
HYDROLASE
(Homo
sapiens) 		5 / 12 HIS A1295
GLU A1296
HIS A1299
GLU A1318
TYR A1383
 ZN  A2001 ( 3.2A)
28P  A7001 (-2.6A)
ZN  A2001 ( 3.2A)
ZN  A2001 ( 2.2A)
28P  A7001 (-4.6A)
 0.64A 1o86A-3u9wA:
4.7		 1o86A-3u9wA:
24.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ONI_B_BEZB503_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 3au7 PUTATIVE
UNCHARACTERIZED
PROTEIN
(Archaeoglobus
fulgidus) 		4 / 6 ARG A 217
ALA A 247
ILE A 409
PRO A 407
 AG2  A7011 (-3.5A)
None
None
None
 1.20A 1oniB-3au7A:
undetectable
1oniC-3au7A:
undetectable		 1oniB-3au7A:
17.77
1oniC-3au7A:
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.
1V7Z_A_CRNA401_1
(CREATININE
AMIDOHYDROLASE)		 3u9w LEUKOTRIENE A-4
HYDROLASE
(Homo
sapiens) 		4 / 8 GLU A1318
HIS A1295
HIS A1299
GLU A1296
 ZN  A2001 ( 2.2A)
ZN  A2001 ( 3.2A)
ZN  A2001 ( 3.2A)
28P  A7001 (-2.6A)
 0.89A 1v7zA-3u9wA:
undetectable		 1v7zA-3u9wA:
19.77
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.
1V7Z_B_CRNB3401_1
(CREATININE
AMIDOHYDROLASE)		 3u9w LEUKOTRIENE A-4
HYDROLASE
(Homo
sapiens) 		4 / 8 GLU A1318
HIS A1295
HIS A1299
GLU A1296
 ZN  A2001 ( 2.2A)
ZN  A2001 ( 3.2A)
ZN  A2001 ( 3.2A)
28P  A7001 (-2.6A)
 0.89A 1v7zB-3u9wA:
undetectable		 1v7zB-3u9wA:
19.77
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.
1V7Z_C_CRNC4401_1
(CREATININE
AMIDOHYDROLASE)		 3u9w LEUKOTRIENE A-4
HYDROLASE
(Homo
sapiens) 		4 / 8 GLU A1318
HIS A1295
HIS A1299
GLU A1296
 ZN  A2001 ( 2.2A)
ZN  A2001 ( 3.2A)
ZN  A2001 ( 3.2A)
28P  A7001 (-2.6A)
 0.89A 1v7zC-3u9wA:
undetectable		 1v7zC-3u9wA:
19.77
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.
2AKE_A_TRPA479_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 5a2r ANGIOTENSIN-CONVERTI
NG ENZYME
(Drosophila
melanogaster) 		5 / 12 TYR A 378
THR A 387
GLY A 388
GLY A 392
PHE A 375
 None
TRS  A7002 (-3.9A)
None
None
None
 1.28A 2akeA-5a2rA:
undetectable		 2akeA-5a2rA:
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.
2AOF_C_FRDC305_2
(POL POLYPROTEIN
PEPTIDE INHIBITOR)		 1zap SECRETED ASPARTIC
PROTEINASE
(Candida
albicans) 		4 / 5 LEU A 216
ASP A 218
ALA A 303
ILE A 305
 None
A70  A 500 ( 2.3A)
A70  A 500 ( 3.8A)
A70  A 500 (-4.8A)
 0.81A 2aofB-1zapA:
6.8		 2aofB-1zapA:
16.46
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.
2AOH_C_FRDC305_1
(POL POLYPROTEIN
PEPTIDE INHIBITOR)		 3lrk ALPHA-GALACTOSIDASE
1
(Saccharomyces
cerevisiae) 		4 / 5 LEU A 439
ASP A 436
GLY A 418
ALA A 310
 None
None
None
GOL  A7003 (-3.6A)
 0.89A 2aohA-3lrkA:
undetectable		 2aohA-3lrkA:
12.18
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.
2AOH_C_FRDC305_2
(POL POLYPROTEIN
PEPTIDE INHIBITOR)		 1zap SECRETED ASPARTIC
PROTEINASE
(Candida
albicans) 		4 / 5 LEU A 216
ASP A 218
ALA A 303
ILE A 305
 None
A70  A 500 ( 2.3A)
A70  A 500 ( 3.8A)
A70  A 500 (-4.8A)
 0.80A 2aohB-1zapA:
7.0		 2aohB-1zapA:
16.46
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.
2AVS_B_MK1B902_1
(POL POLYPROTEIN)		 1zap SECRETED ASPARTIC
PROTEINASE
(Candida
albicans) 		5 / 12 ASP A  32
GLY A  34
ASP A  37
GLY A  83
ILE A 123
 A70  A 500 ( 2.7A)
A70  A 500 (-3.8A)
None
None
A70  A 500 (-4.8A)
 0.63A 2avsA-1zapA:
7.5		 2avsA-1zapA:
16.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AVS_B_MK1B902_3
(POL POLYPROTEIN)		 1zap SECRETED ASPARTIC
PROTEINASE
(Candida
albicans) 		5 / 12 GLY A 125
ILE A 119
GLY A 122
VAL A  40
ILE A  82
 None
A70  A 500 (-3.9A)
None
None
None
 1.06A 2avsB-1zapA:
7.3		 2avsB-1zapA:
16.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AVV_A_MK1A901_1
(POL POLYPROTEIN)		 1zap SECRETED ASPARTIC
PROTEINASE
(Candida
albicans) 		5 / 12 ASP A  32
GLY A  34
ASP A  37
GLY A  83
ILE A 123
 A70  A 500 ( 2.7A)
A70  A 500 (-3.8A)
None
None
A70  A 500 (-4.8A)
 0.63A 2avvA-1zapA:
7.2		 2avvA-1zapA:
16.46
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.
2AVV_E_MK1E902_1
(POL POLYPROTEIN)		 1zap SECRETED ASPARTIC
PROTEINASE
(Candida
albicans) 		5 / 12 ASP A  32
GLY A  34
ASP A  37
GLY A  83
ILE A 123
 A70  A 500 ( 2.7A)
A70  A 500 (-3.8A)
None
None
A70  A 500 (-4.8A)
 0.65A 2avvD-1zapA:
7.0		 2avvD-1zapA:
16.46
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.
2AZX_A_TRPA601_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 5a2r ANGIOTENSIN-CONVERTI
NG ENZYME
(Drosophila
melanogaster) 		5 / 12 TYR A 378
THR A 387
GLY A 388
GLY A 392
PHE A 375
 None
TRS  A7002 (-3.9A)
None
None
None
 1.29A 2azxA-5a2rA:
undetectable		 2azxA-5a2rA:
22.50
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.
2C6N_A_LPRA705_1
(ANGIOTENSIN-CONVERTI
NG ENZYME, SOMATIC
ISOFORM)		 3u9w LEUKOTRIENE A-4
HYDROLASE
(Homo
sapiens) 		5 / 12 HIS A1295
GLU A1296
HIS A1299
GLU A1318
TYR A1383
 ZN  A2001 ( 3.2A)
28P  A7001 (-2.6A)
ZN  A2001 ( 3.2A)
ZN  A2001 ( 2.2A)
28P  A7001 (-4.6A)
 0.63A 2c6nA-3u9wA:
3.2		 2c6nA-3u9wA:
21.87
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.
2C6N_B_LPRB705_1
(ANGIOTENSIN-CONVERTI
NG ENZYME, SOMATIC
ISOFORM)		 3u9w LEUKOTRIENE A-4
HYDROLASE
(Homo
sapiens) 		5 / 12 HIS A1295
GLU A1296
HIS A1299
GLU A1318
TYR A1383
 ZN  A2001 ( 3.2A)
28P  A7001 (-2.6A)
ZN  A2001 ( 3.2A)
ZN  A2001 ( 2.2A)
28P  A7001 (-4.6A)
 0.67A 2c6nB-3u9wA:
4.7		 2c6nB-3u9wA:
21.87
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.
2ECP_B_ACRB992_1
(MALTODEXTRIN
PHOSPHORYLASE)		 3lrk ALPHA-GALACTOSIDASE
1
(Saccharomyces
cerevisiae) 		5 / 10 ASN A 150
ASP A 262
ARG A 205
ASP A  73
ALA A 233
 None
GOL  A7002 (-2.9A)
GOL  A7002 (-3.9A)
GOL  A7001 (-3.4A)
None
 1.32A 2ecpB-3lrkA:
undetectable		 2ecpB-3lrkA:
19.51
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.
2F7A_B_ACTB1004_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM)		 5a2r ANGIOTENSIN-CONVERTI
NG ENZYME
(Drosophila
melanogaster) 		4 / 4 HIS A 394
PRO A 391
ASN A 390
TYR A 374
 None
TRS  A7002 ( 4.9A)
None
None
 1.18A 2f7aB-5a2rA:
undetectable		 2f7aB-5a2rA:
18.68
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.
2F80_B_017B301_1
(POL POLYPROTEIN)		 1zap SECRETED ASPARTIC
PROTEINASE
(Candida
albicans) 		5 / 12 LEU A 216
ASP A 218
GLY A 220
ASN A 309
ILE A 305
 None
A70  A 500 ( 2.3A)
A70  A 500 (-3.3A)
None
A70  A 500 (-4.8A)
 0.92A 2f80A-1zapA:
7.7		 2f80A-1zapA:
16.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IDW_B_017B401_2
(PROTEASE)		 1zap SECRETED ASPARTIC
PROTEINASE
(Candida
albicans) 		5 / 9 ASP A  32
GLY A  34
ASP A  37
GLY A  83
ILE A 123
 A70  A 500 ( 2.7A)
A70  A 500 (-3.8A)
None
None
A70  A 500 (-4.8A)
 0.76A 2idwB-1zapA:
6.5		 2idwB-1zapA:
16.46
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.
2NMY_A_ROCA401_1
(PROTEASE)		 1zap SECRETED ASPARTIC
PROTEINASE
(Candida
albicans) 		5 / 12 ASP A  32
GLY A  34
ASP A  37
GLY A  83
ILE A 123
 A70  A 500 ( 2.7A)
A70  A 500 (-3.8A)
None
None
A70  A 500 (-4.8A)
 0.85A 2nmyA-1zapA:
6.8		 2nmyA-1zapA:
16.46
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.
2NMZ_B_ROCB401_1
(PROTEASE)		 1zap SECRETED ASPARTIC
PROTEINASE
(Candida
albicans) 		5 / 12 ASP A  32
GLY A  34
ASP A  37
GLY A  83
ILE A 123
 A70  A 500 ( 2.7A)
A70  A 500 (-3.8A)
None
None
A70  A 500 (-4.8A)
 0.84A 2nmzA-1zapA:
7.5		 2nmzA-1zapA:
16.46
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.
2NMZ_B_ROCB401_1
(PROTEASE)		 1zap SECRETED ASPARTIC
PROTEINASE
(Candida
albicans) 		5 / 12 LEU A 216
ASP A 218
GLY A 220
ALA A 303
ILE A 305
 None
A70  A 500 ( 2.3A)
A70  A 500 (-3.3A)
A70  A 500 ( 3.8A)
A70  A 500 (-4.8A)
 0.79A 2nmzA-1zapA:
7.5		 2nmzA-1zapA:
16.46
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.
2NMZ_B_ROCB401_3
(PROTEASE)		 1zap SECRETED ASPARTIC
PROTEINASE
(Candida
albicans) 		5 / 12 ASP A  32
GLY A  34
ASP A  37
GLY A  83
ILE A 123
 A70  A 500 ( 2.7A)
A70  A 500 (-3.8A)
None
None
A70  A 500 (-4.8A)
 0.82A 2nmzB-1zapA:
7.8		 2nmzB-1zapA:
16.46
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.
2NMZ_B_ROCB401_3
(PROTEASE)		 1zap SECRETED ASPARTIC
PROTEINASE
(Candida
albicans) 		5 / 12 LEU A 216
ASP A 218
GLY A 220
ALA A 303
ILE A 305
 None
A70  A 500 ( 2.3A)
A70  A 500 (-3.3A)
A70  A 500 ( 3.8A)
A70  A 500 (-4.8A)
 0.80A 2nmzB-1zapA:
7.8		 2nmzB-1zapA:
16.46
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.
2QQC_E_AG2E671_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE (EC
4.1.1.19) (PVLARGDC))		 1mt1 PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
(Methanocaldococc
us
jannaschii) 		4 / 7 LEU A  31
ASP A  35
LEU A  38
GLY A  44
 AG2  A7005 ( 4.6A)
AG2  A7005 (-3.9A)
AG2  A7005 (-4.4A)
AG2  A7005 (-4.1A)
 0.15A 2qqcD-1mt1A:
undetectable
2qqcE-1mt1A:
6.5		 2qqcD-1mt1A:
28.26
2qqcE-1mt1A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QQC_E_AG2E671_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE (EC
4.1.1.19) (PVLARGDC))		 1n2m PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE
(Methanocaldococc
us
jannaschii) 		4 / 7 LEU A  31
ASP A  35
LEU A  38
GLY A  44
 MRD  A7006 ( 4.2A)
None
None
None
 0.23A 2qqcD-1n2mA:
18.4
2qqcE-1n2mA:
3.0		 2qqcD-1n2mA:
99.11
2qqcE-1n2mA:
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.
2QQC_K_AG2K671_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE (EC
4.1.1.19) (PVLARGDC))		 1mt1 PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
(Methanocaldococc
us
jannaschii) 		4 / 8 LEU A  31
ASP A  35
LEU A  38
GLY A  44
 AG2  A7005 ( 4.6A)
AG2  A7005 (-3.9A)
AG2  A7005 (-4.4A)
AG2  A7005 (-4.1A)
 0.15A 2qqcH-1mt1A:
undetectable
2qqcK-1mt1A:
7.1		 2qqcH-1mt1A:
28.26
2qqcK-1mt1A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QQC_K_AG2K671_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE (EC
4.1.1.19) (PVLARGDC))		 1n2m PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE
(Methanocaldococc
us
jannaschii) 		4 / 8 LEU A  31
ASP A  35
LEU A  38
GLY A  44
 MRD  A7006 ( 4.2A)
None
None
None
 0.21A 2qqcH-1n2mA:
18.4
2qqcK-1n2mA:
3.3		 2qqcH-1n2mA:
99.11
2qqcK-1n2mA:
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.
2QQD_B_AG2B671_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE (EC
4.1.1.19) (PVLARGDC))		 1mt1 PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
(Methanocaldococc
us
jannaschii) 		4 / 8 LEU A  31
ASP A  35
LEU A  38
GLY A  44
 AG2  A7005 ( 4.6A)
AG2  A7005 (-3.9A)
AG2  A7005 (-4.4A)
AG2  A7005 (-4.1A)
 0.21A 2qqdB-1mt1A:
undetectable
2qqdC-1mt1A:
3.3		 2qqdB-1mt1A:
28.26
2qqdC-1mt1A:
98.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QQD_B_AG2B671_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE (EC
4.1.1.19) (PVLARGDC))		 1n2m PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE
(Methanocaldococc
us
jannaschii) 		4 / 8 LEU A  31
ASP A  35
LEU A  38
GLY A  44
 MRD  A7006 ( 4.2A)
None
None
None
 0.22A 2qqdB-1n2mA:
18.5
2qqdC-1n2mA:
29.7		 2qqdB-1n2mA:
100.00
2qqdC-1n2mA:
98.79
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.
2RKF_A_AB1A501_1
(PROTEASE RETROPEPSIN)		 1zap SECRETED ASPARTIC
PROTEINASE
(Candida
albicans) 		5 / 12 LEU A 216
ASP A 218
GLY A 220
ALA A 303
ILE A 305
 None
A70  A 500 ( 2.3A)
A70  A 500 (-3.3A)
A70  A 500 ( 3.8A)
A70  A 500 (-4.8A)
 0.75A 2rkfA-1zapA:
7.3		 2rkfA-1zapA:
14.46
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.
2RKF_A_AB1A501_2
(PROTEASE RETROPEPSIN)		 1zap SECRETED ASPARTIC
PROTEINASE
(Candida
albicans) 		5 / 12 LEU A 216
ASP A 218
GLY A 220
ALA A 303
ILE A 305
 None
A70  A 500 ( 2.3A)
A70  A 500 (-3.3A)
A70  A 500 ( 3.8A)
A70  A 500 (-4.8A)
 0.72A 2rkfB-1zapA:
7.8		 2rkfB-1zapA:
14.46
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.
2V0Z_C_C41C1328_1
(RENIN)		 1zap SECRETED ASPARTIC
PROTEINASE
(Candida
albicans) 		6 / 12 ASP A  32
GLY A  34
SER A  35
TYR A  84
ASP A 218
GLY A 220
 A70  A 500 ( 2.7A)
A70  A 500 (-3.8A)
A70  A 500 ( 4.5A)
A70  A 500 (-3.8A)
A70  A 500 ( 2.3A)
A70  A 500 (-3.3A)
 0.32A 2v0zC-1zapA:
35.7		 2v0zC-1zapA:
27.35
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.
2V0Z_C_C41C1328_1
(RENIN)		 1zap SECRETED ASPARTIC
PROTEINASE
(Candida
albicans) 		5 / 12 ASP A 218
GLY A 220
ASP A  32
GLY A  34
SER A  36
 A70  A 500 ( 2.3A)
A70  A 500 (-3.3A)
A70  A 500 ( 2.7A)
A70  A 500 (-3.8A)
None
 0.90A 2v0zC-1zapA:
35.7		 2v0zC-1zapA:
27.35
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.
2V0Z_O_C41O1327_1
(RENIN)		 1zap SECRETED ASPARTIC
PROTEINASE
(Candida
albicans) 		6 / 12 ASP A 218
GLY A 220
ASP A  32
GLY A  34
SER A  36
ILE A 119
 A70  A 500 ( 2.3A)
A70  A 500 (-3.3A)
A70  A 500 ( 2.7A)
A70  A 500 (-3.8A)
None
A70  A 500 (-3.9A)
 1.05A 2v0zO-1zapA:
35.6		 2v0zO-1zapA:
27.35
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.
2VMY_B_FFOB505_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 2og7 ASPARAGINE OXYGENASE
(Streptomyces
coelicolor) 		5 / 12 GLY A 182
LEU A 170
VAL A 168
ALA A 181
GLY A 145
 None
None
None
None
AHB  A7002 (-3.0A)
 1.00A 2vmyA-2og7A:
undetectable		 2vmyA-2og7A:
23.34
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.
2X8Z_A_X8ZA1615_1
(ANGIOTENSIN
CONVERTING ENZYME)		 3u9w LEUKOTRIENE A-4
HYDROLASE
(Homo
sapiens) 		5 / 11 HIS A1295
GLU A1296
HIS A1299
GLU A1318
TYR A1383
 ZN  A2001 ( 3.2A)
28P  A7001 (-2.6A)
ZN  A2001 ( 3.2A)
ZN  A2001 ( 2.2A)
28P  A7001 (-4.6A)
 0.61A 2x8zA-3u9wA:
5.3		 2x8zA-3u9wA:
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.
2X91_A_LPRA1615_1
(ANGIOTENSIN
CONVERTING ENZYME)		 3u9w LEUKOTRIENE A-4
HYDROLASE
(Homo
sapiens) 		5 / 12 HIS A1295
GLU A1296
HIS A1299
GLU A1318
TYR A1383
 ZN  A2001 ( 3.2A)
28P  A7001 (-2.6A)
ZN  A2001 ( 3.2A)
ZN  A2001 ( 2.2A)
28P  A7001 (-4.6A)
 0.61A 2x91A-3u9wA:
3.3		 2x91A-3u9wA:
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.
2XCT_G_CPFG1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)		 3au7 PUTATIVE
UNCHARACTERIZED
PROTEIN
(Archaeoglobus
fulgidus) 		3 / 3 ARG A 217
GLY A 218
SER A 230
 AG2  A7011 (-3.5A)
None
None
 0.64A 2xctB-3au7A:
undetectable		 2xctB-3au7A:
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.
3A6J_A_CRNA303_1
(CREATININE
AMIDOHYDROLASE)		 3u9w LEUKOTRIENE A-4
HYDROLASE
(Homo
sapiens) 		4 / 8 GLU A1318
HIS A1295
HIS A1299
GLU A1296
 ZN  A2001 ( 2.2A)
ZN  A2001 ( 3.2A)
ZN  A2001 ( 3.2A)
28P  A7001 (-2.6A)
 0.88A 3a6jA-3u9wA:
undetectable		 3a6jA-3u9wA:
19.06
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.
3A6J_B_CRNB304_1
(CREATININE
AMIDOHYDROLASE)		 3u9w LEUKOTRIENE A-4
HYDROLASE
(Homo
sapiens) 		4 / 7 GLU A1318
HIS A1295
HIS A1299
GLU A1296
 ZN  A2001 ( 2.2A)
ZN  A2001 ( 3.2A)
ZN  A2001 ( 3.2A)
28P  A7001 (-2.6A)
 0.85A 3a6jB-3u9wA:
undetectable		 3a6jB-3u9wA:
19.06
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.
3A6J_C_CRNC305_1
(CREATININE
AMIDOHYDROLASE)		 3u9w LEUKOTRIENE A-4
HYDROLASE
(Homo
sapiens) 		4 / 8 GLU A1318
HIS A1295
HIS A1299
GLU A1296
 ZN  A2001 ( 2.2A)
ZN  A2001 ( 3.2A)
ZN  A2001 ( 3.2A)
28P  A7001 (-2.6A)
 0.86A 3a6jC-3u9wA:
undetectable		 3a6jC-3u9wA:
19.06
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.
3A6J_E_CRNE306_1
(CREATININE
AMIDOHYDROLASE)		 3u9w LEUKOTRIENE A-4
HYDROLASE
(Homo
sapiens) 		4 / 8 GLU A1318
HIS A1295
HIS A1299
GLU A1296
 ZN  A2001 ( 2.2A)
ZN  A2001 ( 3.2A)
ZN  A2001 ( 3.2A)
28P  A7001 (-2.6A)
 0.89A 3a6jE-3u9wA:
undetectable		 3a6jE-3u9wA:
19.06
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.
3A6J_F_CRNF307_1
(CREATININE
AMIDOHYDROLASE)		 3u9w LEUKOTRIENE A-4
HYDROLASE
(Homo
sapiens) 		4 / 8 GLU A1318
HIS A1295
HIS A1299
GLU A1296
 ZN  A2001 ( 2.2A)
ZN  A2001 ( 3.2A)
ZN  A2001 ( 3.2A)
28P  A7001 (-2.6A)
 0.85A 3a6jF-3u9wA:
undetectable		 3a6jF-3u9wA:
19.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AMU_A_AG2A422_1
(PUTATIVE
UNCHARACTERIZED
PROTEIN)		 3au7 PUTATIVE
UNCHARACTERIZED
PROTEIN
(Archaeoglobus
fulgidus) 		5 / 5 GLU A 159
ASN A 194
VAL A 203
CYH A 204
ARG A 217
 AG2  A7011 ( 4.1A)
AG2  A7011 (-4.5A)
AG2  A7011 (-4.5A)
None
AG2  A7011 (-3.5A)
 0.33A 3amuA-3au7A:
51.7		 3amuA-3au7A:
90.91
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.
3BUF_A_AEGA394_0
(BETA-SECRETASE 1)		 1zap SECRETED ASPARTIC
PROTEINASE
(Candida
albicans) 		4 / 5 LEU A 216
ASP A 218
ILE A 305
GLY A  34
 None
A70  A 500 ( 2.3A)
A70  A 500 (-4.8A)
A70  A 500 (-3.8A)
 0.46A 3bufA-1zapA:
31.9		 3bufA-1zapA:
26.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CYX_A_ROCA201_3
(HIV-1 PROTEASE)		 1zap SECRETED ASPARTIC
PROTEINASE
(Candida
albicans) 		5 / 12 ASP A  32
GLY A  34
ASP A  37
GLY A  83
ILE A 123
 A70  A 500 ( 2.7A)
A70  A 500 (-3.8A)
None
None
A70  A 500 (-4.8A)
 0.64A 3cyxB-1zapA:
7.2		 3cyxB-1zapA:
16.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EKQ_A_ROCA100_1
(PROTEASE)		 1zap SECRETED ASPARTIC
PROTEINASE
(Candida
albicans) 		5 / 12 ASP A  32
GLY A  34
ASP A  37
GLY A  83
ILE A 123
 A70  A 500 ( 2.7A)
A70  A 500 (-3.8A)
None
None
A70  A 500 (-4.8A)
 0.84A 3ekqA-1zapA:
7.5		 3ekqA-1zapA:
16.83
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.
3EL0_A_1UNA201_1
(PROTEASE)		 1zap SECRETED ASPARTIC
PROTEINASE
(Candida
albicans) 		4 / 8 ASP A  32
GLY A  34
ASP A  37
ILE A 123
 A70  A 500 ( 2.7A)
A70  A 500 (-3.8A)
None
A70  A 500 (-4.8A)
 0.52A 3el0A-1zapA:
6.4		 3el0A-1zapA:
15.17
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.
3GV1_A_BEZA302_0
(DISULFIDE
INTERCHANGE PROTEIN)		 2og7 ASPARAGINE OXYGENASE
(Streptomyces
coelicolor) 		4 / 6 PRO A 214
LEU A 152
ALA A 243
PRO A 213
 None
None
None
AHB  A7002 (-4.2A)
 1.25A 3gv1A-2og7A:
undetectable
3gv1C-2og7A:
undetectable		 3gv1A-2og7A:
17.09
3gv1C-2og7A:
17.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GV1_B_BEZB301_0
(DISULFIDE
INTERCHANGE PROTEIN)		 2og7 ASPARAGINE OXYGENASE
(Streptomyces
coelicolor) 		4 / 6 LEU A 152
ALA A 243
PRO A 213
PRO A 214
 None
None
AHB  A7002 (-4.2A)
None
 1.28A 3gv1A-2og7A:
undetectable
3gv1B-2og7A:
undetectable		 3gv1A-2og7A:
17.09
3gv1B-2og7A:
17.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K4V_B_ROCB201_1
(HIV-1 PROTEASE)		 1zap SECRETED ASPARTIC
PROTEINASE
(Candida
albicans) 		5 / 12 ASP A  32
GLY A  34
ASP A  37
GLY A  83
ILE A 123
 A70  A 500 ( 2.7A)
A70  A 500 (-3.8A)
None
None
A70  A 500 (-4.8A)
 0.80A 3k4vA-1zapA:
7.3		 3k4vA-1zapA:
16.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K4V_B_ROCB201_3
(HIV-1 PROTEASE)		 1zap SECRETED ASPARTIC
PROTEINASE
(Candida
albicans) 		5 / 12 ASP A  32
GLY A  34
ASP A  37
GLY A  83
ILE A 123
 A70  A 500 ( 2.7A)
A70  A 500 (-3.8A)
None
None
A70  A 500 (-4.8A)
 0.77A 3k4vB-1zapA:
7.8		 3k4vB-1zapA:
16.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KVR_A_URFA2001_1
(URIDINE
PHOSPHORYLASE)		 3lpp SUCRASE-ISOMALTASE
(Homo
sapiens) 		5 / 10 GLY A 735
GLU A 733
LEU A 758
LEU A 848
ILE A 784
 PEG  A7001 ( 4.0A)
None
None
None
PEG  A7001 (-4.5A)
 1.26A 3kvrA-3lppA:
undetectable		 3kvrA-3lppA:
14.56
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.
3LCV_B_SAMB301_0
(SISOMICIN-GENTAMICIN
RESISTANCE METHYLASE
SGM)		 1zap SECRETED ASPARTIC
PROTEINASE
(Candida
albicans) 		5 / 12 ARG A 195
TYR A 225
PHE A 298
ILE A 305
LEU A 217
 None
A70  A 500 ( 4.0A)
None
A70  A 500 (-4.8A)
None
 1.26A 3lcvB-1zapA:
undetectable		 3lcvB-1zapA:
20.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NBQ_A_URFA400_1
(URIDINE
PHOSPHORYLASE 1)		 3lpp SUCRASE-ISOMALTASE
(Homo
sapiens) 		5 / 9 GLY A 735
GLU A 733
LEU A 758
LEU A 848
ILE A 784
 PEG  A7001 ( 4.0A)
None
None
None
PEG  A7001 (-4.5A)
 1.23A 3nbqA-3lppA:
undetectable		 3nbqA-3lppA:
16.56
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.
3NDT_A_ROCA101_1
(PROTEASE)		 1zap SECRETED ASPARTIC
PROTEINASE
(Candida
albicans) 		5 / 12 ASP A  32
GLY A  34
ASP A  37
GLY A  83
ILE A 123
 A70  A 500 ( 2.7A)
A70  A 500 (-3.8A)
None
None
A70  A 500 (-4.8A)
 0.77A 3ndtA-1zapA:
7.7		 3ndtA-1zapA:
16.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDX_A_RITA100_2
(PROTEASE)		 1zap SECRETED ASPARTIC
PROTEINASE
(Candida
albicans) 		5 / 11 ASP A  32
GLY A  34
ASP A  37
GLY A  83
ILE A 123
 A70  A 500 ( 2.7A)
A70  A 500 (-3.8A)
None
None
A70  A 500 (-4.8A)
 0.78A 3ndxB-1zapA:
7.2		 3ndxB-1zapA:
16.46
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.
3NU5_B_478B401_1
(PROTEASE)		 1zap SECRETED ASPARTIC
PROTEINASE
(Candida
albicans) 		5 / 12 ASP A  32
GLY A  34
ASP A  37
GLY A  85
ILE A 123
 A70  A 500 ( 2.7A)
A70  A 500 (-3.8A)
None
A70  A 500 (-3.5A)
A70  A 500 (-4.8A)
 0.83A 3nu5A-1zapA:
7.7		 3nu5A-1zapA:
16.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NUV_B_ASDB126_1
(STEROID
DELTA-ISOMERASE)		 2og7 ASPARAGINE OXYGENASE
(Streptomyces
coelicolor) 		5 / 10 LEU A 170
PHE A 307
VAL A 168
PRO A 165
ASN A 158
 None
None
None
None
AHB  A7002 (-3.5A)
 1.39A 3nuvB-2og7A:
0.0		 3nuvB-2og7A:
17.37
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		 2ntt STAPHYLOCOCCAL
ENTEROTOXIN K
(Staphylococcus
aureus) 		4 / 8 LEU A   9
ARG A  10
THR A  14
GLY A 164
 None
None
EDO  A7010 ( 4.9A)
EDO  A7009 (-4.7A)
 0.90A 3ny4A-2nttA:
undetectable		 3ny4A-2nttA:
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.
3OXV_B_478B200_1
(HIV-1 PROTEASE)		 1zap SECRETED ASPARTIC
PROTEINASE
(Candida
albicans) 		5 / 9 ASP A  32
GLY A  34
ASP A  37
GLY A  83
ILE A 123
 A70  A 500 ( 2.7A)
A70  A 500 (-3.8A)
None
None
A70  A 500 (-4.8A)
 0.82A 3oxvA-1zapA:
7.1		 3oxvA-1zapA:
16.08
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.
3PRS_A_RITA1001_2
(ENDOTHIAPEPSIN)		 1zap SECRETED ASPARTIC
PROTEINASE
(Candida
albicans) 		9 / 12 ASP A  32
GLY A  34
GLY A  85
ASP A  86
ASP A 120
ASP A 218
THR A 221
TYR A 225
ILE A 305
 A70  A 500 ( 2.7A)
A70  A 500 (-3.8A)
A70  A 500 (-3.5A)
A70  A 500 (-3.1A)
None
A70  A 500 ( 2.3A)
A70  A 500 (-3.6A)
A70  A 500 ( 4.0A)
A70  A 500 (-4.8A)
 0.83A 3prsA-1zapA:
36.4		 3prsA-1zapA:
29.48
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.
3PWW_A_ROCA1001_1
(ENDOTHIAPEPSIN)		 1zap SECRETED ASPARTIC
PROTEINASE
(Candida
albicans) 		5 / 12 ASP A  32
GLY A  85
THR A 221
TYR A 225
ILE A 305
 A70  A 500 ( 2.7A)
A70  A 500 (-3.5A)
A70  A 500 (-3.6A)
A70  A 500 ( 4.0A)
A70  A 500 (-4.8A)
 0.45A 3pwwA-1zapA:
36.2		 3pwwA-1zapA:
29.48
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.
3PWW_A_ROCA1001_2
(ENDOTHIAPEPSIN)		 1zap SECRETED ASPARTIC
PROTEINASE
(Candida
albicans) 		7 / 8 GLY A  34
SER A  35
ILE A  82
TYR A  84
ASP A  86
ASP A 218
THR A 222
 A70  A 500 (-3.8A)
A70  A 500 ( 4.5A)
None
A70  A 500 (-3.8A)
A70  A 500 (-3.1A)
A70  A 500 ( 2.3A)
A70  A 500 (-4.0A)
 0.33A 3pwwA-1zapA:
36.2		 3pwwA-1zapA:
29.48
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.
3PWW_A_ROCA1001_2
(ENDOTHIAPEPSIN)		 1zap SECRETED ASPARTIC
PROTEINASE
(Candida
albicans) 		7 / 8 GLY A  34
SER A  35
TYR A  84
ASP A  86
SER A  88
ASP A 218
THR A 222
 A70  A 500 (-3.8A)
A70  A 500 ( 4.5A)
A70  A 500 (-3.8A)
A70  A 500 (-3.1A)
A70  A 500 ( 4.2A)
A70  A 500 ( 2.3A)
A70  A 500 (-4.0A)
 0.48A 3pwwA-1zapA:
36.2		 3pwwA-1zapA:
29.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3Q70_A_RITA2001_1
(CANDIDAPEPSIN-2)		 1zap SECRETED ASPARTIC
PROTEINASE
(Candida
albicans) 		12 / 12 ILE A  30
ASP A  32
GLY A  34
GLY A  85
SER A  88
ILE A 119
ASN A 131
GLU A 193
ASP A 218
THR A 221
TYR A 225
ILE A 305
 A70  A 500 (-4.3A)
A70  A 500 ( 2.7A)
A70  A 500 (-3.8A)
A70  A 500 (-3.5A)
A70  A 500 ( 4.2A)
A70  A 500 (-3.9A)
A70  A 500 (-3.8A)
A70  A 500 (-4.4A)
A70  A 500 ( 2.3A)
A70  A 500 (-3.6A)
A70  A 500 ( 4.0A)
A70  A 500 (-4.8A)
 0.48A 3q70A-1zapA:
54.1		 3q70A-1zapA:
97.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3Q70_A_RITA2001_1
(CANDIDAPEPSIN-2)		 1zap SECRETED ASPARTIC
PROTEINASE
(Candida
albicans) 		10 / 12 ILE A 123
ASP A  32
GLY A  34
GLY A  85
ILE A 119
GLU A 193
ASP A 218
THR A 221
TYR A 225
ILE A 305
 A70  A 500 (-4.8A)
A70  A 500 ( 2.7A)
A70  A 500 (-3.8A)
A70  A 500 (-3.5A)
A70  A 500 (-3.9A)
A70  A 500 (-4.4A)
A70  A 500 ( 2.3A)
A70  A 500 (-3.6A)
A70  A 500 ( 4.0A)
A70  A 500 (-4.8A)
 1.19A 3q70A-1zapA:
54.1		 3q70A-1zapA:
97.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3Q70_A_RITA2001_2
(CANDIDAPEPSIN-2)		 1zap SECRETED ASPARTIC
PROTEINASE
(Candida
albicans) 		6 / 6 THR A  13
SER A  35
ILE A  82
TYR A  84
ASP A 120
THR A 222
 A70  A 500 (-3.5A)
A70  A 500 ( 4.5A)
None
A70  A 500 (-3.8A)
None
A70  A 500 (-4.0A)
 0.34A 3q70A-1zapA:
54.1		 3q70A-1zapA:
97.66
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.
3QOW_A_SAMA417_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE)		 2og7 ASPARAGINE OXYGENASE
(Streptomyces
coelicolor) 		3 / 3 THR A 153
ASP A 241
GLU A 157
 None
AHB  A7002 (-4.3A)
FE2  A5001 (-2.5A)
 0.85A 3qowA-2og7A:
undetectable		 3qowA-2og7A:
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.
3S54_B_017B201_2
(PROTEASE)		 1zap SECRETED ASPARTIC
PROTEINASE
(Candida
albicans) 		5 / 12 ASP A  32
GLY A  34
ASP A  37
GLY A  83
ILE A 123
 A70  A 500 ( 2.7A)
A70  A 500 (-3.8A)
None
None
A70  A 500 (-4.8A)
 0.82A 3s54B-1zapA:
7.4		 3s54B-1zapA:
16.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T3S_D_9PLD1_1
(CYTOCHROME P450 2A13)		 1n2m PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE
(Methanocaldococc
us
jannaschii) 		4 / 8 PHE A  34
ALA A  41
ALA A 159
THR A  75
 MRD  A7006 ( 3.9A)
None
None
None
 0.94A 3t3sD-1n2mA:
undetectable		 3t3sD-1n2mA:
15.04
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.
3TL9_A_ROCA401_1
(PROTEASE)		 1zap SECRETED ASPARTIC
PROTEINASE
(Candida
albicans) 		5 / 12 ASP A  32
GLY A  34
ASP A  37
GLY A  83
ILE A 123
 A70  A 500 ( 2.7A)
A70  A 500 (-3.8A)
None
None
A70  A 500 (-4.8A)
 0.84A 3tl9A-1zapA:
7.7		 3tl9A-1zapA:
17.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3TNE_A_RITA401_1
(SECRETED ASPARTIC
PROTEASE)		 1zap SECRETED ASPARTIC
PROTEINASE
(Candida
albicans) 		11 / 12 ILE A  30
ASP A  32
GLY A  34
ILE A  82
GLY A  85
ASP A  86
SER A  88
ASN A 131
ASP A 218
TYR A 225
ILE A 305
 A70  A 500 (-4.3A)
A70  A 500 ( 2.7A)
A70  A 500 (-3.8A)
None
A70  A 500 (-3.5A)
A70  A 500 (-3.1A)
A70  A 500 ( 4.2A)
A70  A 500 (-3.8A)
A70  A 500 ( 2.3A)
A70  A 500 ( 4.0A)
A70  A 500 (-4.8A)
 0.60A 3tneA-1zapA:
47.9		 3tneA-1zapA:
51.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3TNE_A_RITA401_1
(SECRETED ASPARTIC
PROTEASE)		 1zap SECRETED ASPARTIC
PROTEINASE
(Candida
albicans) 		11 / 12 ILE A  30
ASP A  32
GLY A  34
ILE A  82
GLY A  85
SER A  88
ASP A 120
ASN A 131
ASP A 218
TYR A 225
ILE A 305
 A70  A 500 (-4.3A)
A70  A 500 ( 2.7A)
A70  A 500 (-3.8A)
None
A70  A 500 (-3.5A)
A70  A 500 ( 4.2A)
None
A70  A 500 (-3.8A)
A70  A 500 ( 2.3A)
A70  A 500 ( 4.0A)
A70  A 500 (-4.8A)
 0.73A 3tneA-1zapA:
47.9		 3tneA-1zapA:
51.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3TNE_A_RITA401_1
(SECRETED ASPARTIC
PROTEASE)		 1zap SECRETED ASPARTIC
PROTEINASE
(Candida
albicans) 		9 / 12 ILE A 123
ASP A  32
GLY A  34
GLY A  85
ASP A  86
SER A  88
ASP A 218
TYR A 225
ILE A 305
 A70  A 500 (-4.8A)
A70  A 500 ( 2.7A)
A70  A 500 (-3.8A)
A70  A 500 (-3.5A)
A70  A 500 (-3.1A)
A70  A 500 ( 4.2A)
A70  A 500 ( 2.3A)
A70  A 500 ( 4.0A)
A70  A 500 (-4.8A)
 1.20A 3tneA-1zapA:
47.9		 3tneA-1zapA:
51.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3TNE_A_RITA401_1
(SECRETED ASPARTIC
PROTEASE)		 1zap SECRETED ASPARTIC
PROTEINASE
(Candida
albicans) 		9 / 12 ILE A 123
ASP A  32
GLY A  34
GLY A  85
SER A  88
ASP A 120
ASP A 218
TYR A 225
ILE A 305
 A70  A 500 (-4.8A)
A70  A 500 ( 2.7A)
A70  A 500 (-3.8A)
A70  A 500 (-3.5A)
A70  A 500 ( 4.2A)
None
A70  A 500 ( 2.3A)
A70  A 500 ( 4.0A)
A70  A 500 (-4.8A)
 1.37A 3tneA-1zapA:
47.9		 3tneA-1zapA:
51.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3TNE_A_RITA401_2
(SECRETED ASPARTIC
PROTEASE)		 1zap SECRETED ASPARTIC
PROTEINASE
(Candida
albicans) 		4 / 6 SER A  35
TYR A  84
THR A 221
THR A 222
 A70  A 500 ( 4.5A)
A70  A 500 (-3.8A)
A70  A 500 (-3.6A)
A70  A 500 (-4.0A)
 0.31A 3tneA-1zapA:
47.9		 3tneA-1zapA:
51.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3TNE_B_RITB401_1
(SECRETED ASPARTIC
PROTEASE)		 1zap SECRETED ASPARTIC
PROTEINASE
(Candida
albicans) 		9 / 12 ILE A  30
ASP A  32
GLY A  34
GLY A  85
ASP A  86
SER A  88
ASN A 131
ASP A 218
ILE A 305
 A70  A 500 (-4.3A)
A70  A 500 ( 2.7A)
A70  A 500 (-3.8A)
A70  A 500 (-3.5A)
A70  A 500 (-3.1A)
A70  A 500 ( 4.2A)
A70  A 500 (-3.8A)
A70  A 500 ( 2.3A)
A70  A 500 (-4.8A)
 0.60A 3tneB-1zapA:
48.1		 3tneB-1zapA:
51.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3TNE_B_RITB401_1
(SECRETED ASPARTIC
PROTEASE)		 1zap SECRETED ASPARTIC
PROTEINASE
(Candida
albicans) 		9 / 12 ILE A  30
ASP A  32
GLY A  34
GLY A  85
SER A  88
ASP A 120
ASN A 131
ASP A 218
ILE A 305
 A70  A 500 (-4.3A)
A70  A 500 ( 2.7A)
A70  A 500 (-3.8A)
A70  A 500 (-3.5A)
A70  A 500 ( 4.2A)
None
A70  A 500 (-3.8A)
A70  A 500 ( 2.3A)
A70  A 500 (-4.8A)
 0.74A 3tneB-1zapA:
48.1		 3tneB-1zapA:
51.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3TNE_B_RITB401_1
(SECRETED ASPARTIC
PROTEASE)		 1zap SECRETED ASPARTIC
PROTEINASE
(Candida
albicans) 		9 / 12 ILE A  30
ASP A  32
GLY A  34
ILE A  82
GLY A  85
ASP A  86
ASN A 131
ASP A 218
ILE A 305
 A70  A 500 (-4.3A)
A70  A 500 ( 2.7A)
A70  A 500 (-3.8A)
None
A70  A 500 (-3.5A)
A70  A 500 (-3.1A)
A70  A 500 (-3.8A)
A70  A 500 ( 2.3A)
A70  A 500 (-4.8A)
 0.47A 3tneB-1zapA:
48.1		 3tneB-1zapA:
51.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3TNE_B_RITB401_1
(SECRETED ASPARTIC
PROTEASE)		 1zap SECRETED ASPARTIC
PROTEINASE
(Candida
albicans) 		9 / 12 ILE A  30
ASP A  32
GLY A  34
ILE A  82
GLY A  85
ASP A 120
ASN A 131
ASP A 218
ILE A 305
 A70  A 500 (-4.3A)
A70  A 500 ( 2.7A)
A70  A 500 (-3.8A)
None
A70  A 500 (-3.5A)
None
A70  A 500 (-3.8A)
A70  A 500 ( 2.3A)
A70  A 500 (-4.8A)
 0.56A 3tneB-1zapA:
48.1		 3tneB-1zapA:
51.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3TNE_B_RITB401_1
(SECRETED ASPARTIC
PROTEASE)		 1zap SECRETED ASPARTIC
PROTEINASE
(Candida
albicans) 		8 / 12 ILE A 123
ASP A  32
GLY A  34
GLY A  85
ASP A  86
SER A  88
ASP A 218
ILE A 305
 A70  A 500 (-4.8A)
A70  A 500 ( 2.7A)
A70  A 500 (-3.8A)
A70  A 500 (-3.5A)
A70  A 500 (-3.1A)
A70  A 500 ( 4.2A)
A70  A 500 ( 2.3A)
A70  A 500 (-4.8A)
 1.23A 3tneB-1zapA:
48.1		 3tneB-1zapA:
51.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3TNE_B_RITB401_1
(SECRETED ASPARTIC
PROTEASE)		 1zap SECRETED ASPARTIC
PROTEINASE
(Candida
albicans) 		8 / 12 ILE A 123
ASP A  32
GLY A  34
GLY A  85
SER A  88
ASP A 120
ASP A 218
ILE A 305
 A70  A 500 (-4.8A)
A70  A 500 ( 2.7A)
A70  A 500 (-3.8A)
A70  A 500 (-3.5A)
A70  A 500 ( 4.2A)
None
A70  A 500 ( 2.3A)
A70  A 500 (-4.8A)
 1.37A 3tneB-1zapA:
48.1		 3tneB-1zapA:
51.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3TNE_B_RITB401_2
(SECRETED ASPARTIC
PROTEASE)		 1zap SECRETED ASPARTIC
PROTEINASE
(Candida
albicans) 		6 / 7 SER A  35
TYR A  84
ILE A 123
THR A 221
THR A 222
TYR A 225
 A70  A 500 ( 4.5A)
A70  A 500 (-3.8A)
A70  A 500 (-4.8A)
A70  A 500 (-3.6A)
A70  A 500 (-4.0A)
A70  A 500 ( 4.0A)
 0.41A 3tneB-1zapA:
48.1		 3tneB-1zapA:
51.42
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.
4C2P_A_X8ZA709_1
(ANGIOTENSIN-CONVERTI
NG ENZYME)		 3u9w LEUKOTRIENE A-4
HYDROLASE
(Homo
sapiens) 		5 / 11 HIS A1295
GLU A1296
HIS A1299
GLU A1318
TYR A1383
 ZN  A2001 ( 3.2A)
28P  A7001 (-2.6A)
ZN  A2001 ( 3.2A)
ZN  A2001 ( 2.2A)
28P  A7001 (-4.6A)
 0.72A 4c2pA-3u9wA:
4.4		 4c2pA-3u9wA:
24.59
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.
4C49_D_HCYD1384_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		 3lrk ALPHA-GALACTOSIDASE
1
(Saccharomyces
cerevisiae) 		5 / 12 SER A 347
GLN A 309
ILE A 315
SER A 311
PHE A 464
 None
GOL  A7003 (-4.1A)
None
None
None
 1.44A 4c49D-3lrkA:
undetectable		 4c49D-3lrkA:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DC3_A_ADNA401_2
(ADENOSINE KINASE)		 2oo4 NEUROGENIC LOCUS
NOTCH HOMOLOG
PROTEIN 2
(Homo
sapiens) 		4 / 4 LEU A1572
ILE A1549
GLY A1570
PHE A1565
 None
None
GOL  A7007 ( 3.7A)
None
 1.07A 4dc3A-2oo4A:
undetectable		 4dc3A-2oo4A:
19.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DPR_A_X8ZA702_1
(LEUKOTRIENE A-4
HYDROLASE)		 3u9w LEUKOTRIENE A-4
HYDROLASE
(Homo
sapiens) 		9 / 9 TYR A1267
GLY A1268
HIS A1295
GLU A1296
GLU A1318
TYR A1378
TYR A1383
ARG A1563
LYS A1565
 28P  A7001 (-3.6A)
None
ZN  A2001 ( 3.2A)
28P  A7001 (-2.6A)
ZN  A2001 ( 2.2A)
28P  A7001 (-4.3A)
28P  A7001 (-4.6A)
None
None
 0.36A 4dprA-3u9wA:
61.2		 4dprA-3u9wA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DPR_A_X8ZA702_1
(LEUKOTRIENE A-4
HYDROLASE)		 3u9w LEUKOTRIENE A-4
HYDROLASE
(Homo
sapiens) 		5 / 9 TYR A1267
GLY A1269
GLU A1271
TYR A1378
TYR A1383
 28P  A7001 (-3.6A)
None
28P  A7001 (-3.6A)
28P  A7001 (-4.3A)
28P  A7001 (-4.6A)
 0.99A 4dprA-3u9wA:
61.2		 4dprA-3u9wA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DPR_A_X8ZA702_1
(LEUKOTRIENE A-4
HYDROLASE)		 3u9w LEUKOTRIENE A-4
HYDROLASE
(Homo
sapiens) 		6 / 9 TYR A1267
GLY A1269
HIS A1295
GLU A1318
TYR A1378
TYR A1383
 28P  A7001 (-3.6A)
None
ZN  A2001 ( 3.2A)
ZN  A2001 ( 2.2A)
28P  A7001 (-4.3A)
28P  A7001 (-4.6A)
 0.89A 4dprA-3u9wA:
61.2		 4dprA-3u9wA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DPR_A_X8ZA702_1
(LEUKOTRIENE A-4
HYDROLASE)		 3u9w LEUKOTRIENE A-4
HYDROLASE
(Homo
sapiens) 		5 / 9 TYR A1267
GLY A1269
HIS A1299
GLU A1271
TYR A1378
 28P  A7001 (-3.6A)
None
ZN  A2001 ( 3.2A)
28P  A7001 (-3.6A)
28P  A7001 (-4.3A)
 1.08A 4dprA-3u9wA:
61.2		 4dprA-3u9wA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DPR_A_X8ZA702_1
(LEUKOTRIENE A-4
HYDROLASE)		 3u9w LEUKOTRIENE A-4
HYDROLASE
(Homo
sapiens) 		5 / 9 TYR A1267
GLY A1269
HIS A1299
GLU A1318
TYR A1378
 28P  A7001 (-3.6A)
None
ZN  A2001 ( 3.2A)
ZN  A2001 ( 2.2A)
28P  A7001 (-4.3A)
 1.18A 4dprA-3u9wA:
61.2		 4dprA-3u9wA:
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.
4DQF_B_017B101_2
(ASPARTYL PROTEASE)		 1zap SECRETED ASPARTIC
PROTEINASE
(Candida
albicans) 		5 / 10 ASP A  32
GLY A  34
ASP A  37
GLY A  83
ILE A 123
 A70  A 500 ( 2.7A)
A70  A 500 (-3.8A)
None
None
A70  A 500 (-4.8A)
 0.75A 4dqfB-1zapA:
7.4		 4dqfB-1zapA:
14.81
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.
4FU9_A_ACTA312_0
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		 2o2c GLUCOSE-6-PHOSPHATE
ISOMERASE,
GLYCOSOMAL
(Trypanosoma
brucei) 		3 / 3 ARG A  81
HIS A  74
TYR A  85
 GOL  A7001 (-4.0A)
GOL  A7001 ( 4.8A)
GOL  A7001 (-4.1A)
 1.17A 4fu9A-2o2cA:
undetectable		 4fu9A-2o2cA:
18.66
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.
4IQQ_A_D16A402_1
(THYMIDYLATE SYNTHASE)		 2ntt STAPHYLOCOCCAL
ENTEROTOXIN K
(Staphylococcus
aureus) 		4 / 7 TYR A 137
ILE A  99
LEU A 180
GLY A 164
 None
None
None
EDO  A7009 (-4.7A)
 0.93A 4iqqA-2nttA:
undetectable		 4iqqA-2nttA:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IQQ_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 2ntt STAPHYLOCOCCAL
ENTEROTOXIN K
(Staphylococcus
aureus) 		4 / 8 TYR A 137
ILE A  99
LEU A 180
GLY A 164
 None
None
None
EDO  A7009 (-4.7A)
 0.83A 4iqqD-2nttA:
undetectable		 4iqqD-2nttA:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KTV_A_ADNA403_1
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 1zap SECRETED ASPARTIC
PROTEINASE
(Candida
albicans) 		5 / 12 SER A  88
ASP A  32
ILE A  30
ASP A 120
ILE A 119
 A70  A 500 ( 4.2A)
A70  A 500 ( 2.7A)
A70  A 500 (-4.3A)
None
A70  A 500 (-3.9A)
 1.36A 4ktvA-1zapA:
0.0
4ktvB-1zapA:
undetectable		 4ktvA-1zapA:
24.76
4ktvB-1zapA:
24.76
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.
4MDA_A_RLTA403_1
(MARINER MOS1
TRANSPOSASE)		 1xc6 BETA-GALACTOSIDASE
(Penicillium
sp.) 		4 / 6 ASP A 777
ASN A 776
ALA A 755
ASP A 806
 None
MAN  A7007 ( 3.1A)
None
None
 1.05A 4mdaA-1xc6A:
1.7		 4mdaA-1xc6A:
11.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OBW_A_SAMA602_1
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)		 3lrk ALPHA-GALACTOSIDASE
1
(Saccharomyces
cerevisiae) 		3 / 3 ASP A 149
ASN A 153
SER A 207
 GOL  A7001 (-4.1A)
None
None
 0.71A 4obwA-3lrkA:
undetectable		 4obwA-3lrkA:
20.25
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.
4OBW_D_SAMD601_1
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)		 3lrk ALPHA-GALACTOSIDASE
1
(Saccharomyces
cerevisiae) 		3 / 3 ASN A  38
ASP A  35
ASP A 149
 GOL  A7002 (-4.0A)
GOL  A7002 (-3.5A)
GOL  A7001 (-4.1A)
 0.88A 4obwD-3lrkA:
undetectable		 4obwD-3lrkA:
20.25
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.
4P7N_A_GCSA702_1
(POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE)		 3lrk ALPHA-GALACTOSIDASE
1
(Saccharomyces
cerevisiae) 		3 / 3 ASP A 149
TYR A 113
TRP A 188
 GOL  A7001 (-4.1A)
GOL  A7001 ( 4.9A)
None
 1.00A 4p7nA-3lrkA:
9.8		 4p7nA-3lrkA:
23.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4R7L_A_SHHA709_1
(LEUKOTRIENE A-4
HYDROLASE)		 3u9w LEUKOTRIENE A-4
HYDROLASE
(Homo
sapiens) 		12 / 12 GLN A1136
ALA A1137
TYR A1267
HIS A1295
GLU A1296
HIS A1299
TRP A1311
PHE A1314
GLU A1318
LEU A1369
TYR A1378
TYR A1383
 28P  A7001 (-3.7A)
28P  A7001 ( 3.8A)
28P  A7001 (-3.6A)
ZN  A2001 ( 3.2A)
28P  A7001 (-2.6A)
ZN  A2001 ( 3.2A)
28P  A7001 (-4.8A)
28P  A7001 (-3.5A)
ZN  A2001 ( 2.2A)
28P  A7001 ( 4.9A)
28P  A7001 (-4.3A)
28P  A7001 (-4.6A)
 0.35A 4r7lA-3u9wA:
64.7		 4r7lA-3u9wA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4R7L_A_SHHA709_1
(LEUKOTRIENE A-4
HYDROLASE)		 3u9w LEUKOTRIENE A-4
HYDROLASE
(Homo
sapiens) 		5 / 12 TYR A1267
GLU A1271
GLU A1318
TYR A1378
TYR A1383
 28P  A7001 (-3.6A)
28P  A7001 (-3.6A)
ZN  A2001 ( 2.2A)
28P  A7001 (-4.3A)
28P  A7001 (-4.6A)
 1.33A 4r7lA-3u9wA:
64.7		 4r7lA-3u9wA:
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.
4V2Z_B_Y70B151_1
(CEREBLON ISOFORM 4)		 3u9w LEUKOTRIENE A-4
HYDROLASE
(Homo
sapiens) 		4 / 8 ASN A1272
MET A1270
TRP A1253
TYR A1251
 None
28P  A7001 (-3.5A)
None
None
 1.47A 4v2zB-3u9wA:
undetectable		 4v2zB-3u9wA:
12.29
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.
4V30_B_LVYB151_1
(CEREBLON ISOFORM 4)		 3u9w LEUKOTRIENE A-4
HYDROLASE
(Homo
sapiens) 		4 / 8 ASN A1272
MET A1270
TRP A1253
TYR A1251
 None
28P  A7001 (-3.5A)
None
None
 1.46A 4v30B-3u9wA:
undetectable		 4v30B-3u9wA:
12.29
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.
4XUM_A_IMNA502_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 3u9w LEUKOTRIENE A-4
HYDROLASE
(Homo
sapiens) 		4 / 7 GLU A1296
ARG A1338
ILE A1328
MET A1240
 28P  A7001 (-2.6A)
None
None
None
 0.98A 4xumA-3u9wA:
undetectable		 4xumA-3u9wA:
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.
4Y4J_A_LNRA412_1
(ENDOTHIAPEPSIN)		 1zap SECRETED ASPARTIC
PROTEINASE
(Candida
albicans) 		5 / 9 ASP A  32
TYR A  84
ASP A  86
SER A  88
ASP A 120
 A70  A 500 ( 2.7A)
A70  A 500 (-3.8A)
A70  A 500 (-3.1A)
A70  A 500 ( 4.2A)
None
 1.15A 4y4jA-1zapA:
36.4		 4y4jA-1zapA:
29.48
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.
4Y4J_A_LNRA412_1
(ENDOTHIAPEPSIN)		 1zap SECRETED ASPARTIC
PROTEINASE
(Candida
albicans) 		5 / 9 ASP A  32
TYR A  84
SER A  88
SER A 118
ASP A 120
 A70  A 500 ( 2.7A)
A70  A 500 (-3.8A)
A70  A 500 ( 4.2A)
None
None
 1.45A 4y4jA-1zapA:
36.4		 4y4jA-1zapA:
29.48
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.
4ZJO_A_ERYA1101_0
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)		 2og7 ASPARAGINE OXYGENASE
(Streptomyces
coelicolor) 		5 / 12 ASN A 158
SER A 219
ALA A 244
GLU A 157
LEU A 152
 AHB  A7002 (-3.5A)
None
None
FE2  A5001 (-2.5A)
None
 1.16A 4zjoA-2og7A:
undetectable		 4zjoA-2og7A:
17.16
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.
5C0O_H_SAMH301_1
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI)		 2pwh SUCROSE ISOMERASE
([Pseudomonas]
mesoacidophila) 		4 / 5 THR A 432
GLY A 430
GLU A  36
ASP A  22
 None
None
None
CA  A7001 (-3.0A)
 1.00A 5c0oH-2pwhA:
undetectable		 5c0oH-2pwhA:
17.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DNU_A_BEZA319_0
(SHKAI2IB)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
(Pisum
sativum) 		4 / 5 HIS A 343
ILE A 327
ILE A 330
TYR A 317
 LHG  A7003 ( 4.0A)
CLA  A1119 ( 4.5A)
CLA  A1119 (-4.3A)
CLA  A1119 (-4.6A)
 1.17A 5dnuA-4rkuA:
undetectable		 5dnuA-4rkuA:
17.39
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.
5ESE_A_TPFA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 1zap SECRETED ASPARTIC
PROTEINASE
(Candida
albicans) 		4 / 8 TYR A  14
LEU A   7
ILE A  30
LEU A 311
 None
None
A70  A 500 (-4.3A)
None
 0.87A 5eseA-1zapA:
undetectable		 5eseA-1zapA:
21.80
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.
5FA8_A_SAMA301_1
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE,
PUTATIVE)		 2pwh SUCROSE ISOMERASE
([Pseudomonas]
mesoacidophila) 		3 / 3 THR A 432
ASP A  30
GLU A  36
 None
CA  A7001 (-3.3A)
None
 0.83A 5fa8A-2pwhA:
undetectable		 5fa8A-2pwhA:
14.57
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.
5FSA_A_X2NA590_2
(CYP51 VARIANT1)		 3lpp SUCRASE-ISOMALTASE
(Homo
sapiens) 		3 / 3 PRO A 725
ILE A 784
SER A 694
 None
PEG  A7001 (-4.5A)
None
 0.74A 5fsaA-3lppA:
undetectable		 5fsaA-3lppA:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HYR_A_ESTA601_1
(ESTROGEN RECEPTOR)		 2oo4 NEUROGENIC LOCUS
NOTCH HOMOLOG
PROTEIN 2
(Homo
sapiens) 		5 / 10 LEU A1558
ALA A1562
LEU A1566
LEU A1569
LEU A1587
 None
GOL  A7008 ( 3.8A)
GOL  A7007 (-4.7A)
None
GOL  A7001 (-4.9A)
 1.35A 5hyrA-2oo4A:
undetectable		 5hyrA-2oo4A:
23.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NOO_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 2ntt STAPHYLOCOCCAL
ENTEROTOXIN K
(Staphylococcus
aureus) 		4 / 8 TYR A 137
ILE A  99
LEU A 180
GLY A 164
 None
None
None
EDO  A7009 (-4.7A)
 0.82A 5nooD-2nttA:
undetectable		 5nooD-2nttA:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OGC_B_TA1B601_1
(TUBULIN BETA CHAIN)		 2oo4 NEUROGENIC LOCUS
NOTCH HOMOLOG
PROTEIN 2
(Homo
sapiens) 		5 / 12 GLU A1525
SER A1636
THR A1643
GLY A1570
LEU A1573
 ZN  A6001 (-2.3A)
ZN  A6001 ( 4.5A)
None
GOL  A7007 ( 3.7A)
None
 1.15A 5ogcB-2oo4A:
undetectable		 5ogcB-2oo4A:
18.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_A_C2FA3001_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 3lrk ALPHA-GALACTOSIDASE
1
(Saccharomyces
cerevisiae) 		4 / 5 ASN A  36
ASP A  35
ASN A 263
ASP A 209
 None
GOL  A7002 (-3.5A)
GOL  A7002 (-3.1A)
GOL  A7002 ( 3.9A)
 1.02A 5vooA-3lrkA:
8.5		 5vooA-3lrkA:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_B_C2FB702_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 2pwh SUCROSE ISOMERASE
([Pseudomonas]
mesoacidophila) 		5 / 12 ASN A  59
GLY A  63
GLY A  29
SER A  19
ILE A  28
 None
None
CA  A7001 ( 4.6A)
None
None
 1.16A 5vooB-2pwhA:
10.5		 5vooB-2pwhA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_C_C2FC702_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 3lrk ALPHA-GALACTOSIDASE
1
(Saccharomyces
cerevisiae) 		4 / 5 ASN A  36
ASP A  35
ASN A 263
ASP A 209
 None
GOL  A7002 (-3.5A)
GOL  A7002 (-3.1A)
GOL  A7002 ( 3.9A)
 1.03A 5vooC-3lrkA:
8.5		 5vooC-3lrkA:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_D_C2FD3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 2pwh SUCROSE ISOMERASE
([Pseudomonas]
mesoacidophila) 		5 / 12 ASN A  59
GLY A  63
GLY A  29
SER A  19
ILE A  28
 None
None
CA  A7001 ( 4.6A)
None
None
 1.12A 5vooD-2pwhA:
10.4		 5vooD-2pwhA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_E_C2FE3001_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 3lrk ALPHA-GALACTOSIDASE
1
(Saccharomyces
cerevisiae) 		4 / 5 ASN A  36
ASP A  35
ASN A 263
ASP A 209
 None
GOL  A7002 (-3.5A)
GOL  A7002 (-3.1A)
GOL  A7002 ( 3.9A)
 1.04A 5vooE-3lrkA:
8.4		 5vooE-3lrkA:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_F_C2FF3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 2pwh SUCROSE ISOMERASE
([Pseudomonas]
mesoacidophila) 		5 / 12 ASN A  59
GLY A  63
GLY A  29
SER A  19
ILE A  28
 None
None
CA  A7001 ( 4.6A)
None
None
 1.13A 5vooF-2pwhA:
9.3		 5vooF-2pwhA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X7P_A_ACRA1421_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 2him L-ASPARAGINASE 1
(Escherichia
coli) 		4 / 5 TYR A  10
TYR A  54
GLY A  12
GLY A  13
 None
None
None
ASP  A7001 ( 3.5A)
 0.91A 5x7pA-2himA:
3.1		 5x7pA-2himA:
15.35
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.
5X7P_B_ACRB1421_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 2him L-ASPARAGINASE 1
(Escherichia
coli) 		4 / 6 TYR A  10
TYR A  54
GLY A  12
GLY A  13
 None
None
None
ASP  A7001 ( 3.5A)
 0.92A 5x7pB-2himA:
2.9		 5x7pB-2himA:
15.35
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.
5X80_D_SALD201_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)		 1yq2 BETA-GALACTOSIDASE
(Arthrobacter
sp.
C2-2) 		4 / 5 PRO A 599
GLY A 600
TYR A 602
VAL A 591
 None
MG  A7001 ( 4.8A)
None
None
 1.39A 5x80C-1yq2A:
undetectable
5x80D-1yq2A:
undetectable		 5x80C-1yq2A:
10.78
5x80D-1yq2A:
10.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6AGG_Z_AG2Z503_0
(TRNA(ILE2)
2-AGMATINYLCYTIDINE
SYNTHETASE TIAS)		 3au7 PUTATIVE
UNCHARACTERIZED
PROTEIN
(Archaeoglobus
fulgidus) 		5 / 5 GLU A 159
ASN A 194
VAL A 203
CYH A 204
ARG A 217
 AG2  A7011 ( 4.1A)
AG2  A7011 (-4.5A)
AG2  A7011 (-4.5A)
None
AG2  A7011 (-3.5A)
 0.34A 6aggZ-3au7A:
51.9		 6aggZ-3au7A:
80.00
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.
6EKU_A_ZMRA901_2
(SIALIDASE)		 2ntt STAPHYLOCOCCAL
ENTEROTOXIN K
(Staphylococcus
aureus) 		4 / 6 GLN A 134
ASN A 143
SER A 159
PHE A 181
 None
EDO  A7010 (-4.2A)
None
None
 1.25A 6ekuA-2nttA:
undetectable		 6ekuA-2nttA:
15.47
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.
6FBP_B_ADNB404_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 1zap SECRETED ASPARTIC
PROTEINASE
(Candida
albicans) 		5 / 12 ASP A  32
ILE A  30
ASP A 120
ILE A 119
SER A  88
 A70  A 500 ( 2.7A)
A70  A 500 (-4.3A)
None
A70  A 500 (-3.9A)
A70  A 500 ( 4.2A)
 1.21A 6fbpA-1zapA:
undetectable
6fbpB-1zapA:
undetectable		 6fbpA-1zapA:
13.21
6fbpB-1zapA:
13.21
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.
6HIS_A_TKTA508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		 3lrk ALPHA-GALACTOSIDASE
1
(Saccharomyces
cerevisiae) 		4 / 8 ASP A 260
ILE A 291
ASN A  36
TYR A 113
 None
None
None
GOL  A7001 ( 4.9A)
 1.09A 6hisA-3lrkA:
undetectable
6hisB-3lrkA:
undetectable		 6hisA-3lrkA:
12.44
6hisB-3lrkA:
12.44
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.
6HIS_B_TKTB508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		 3lrk ALPHA-GALACTOSIDASE
1
(Saccharomyces
cerevisiae) 		4 / 8 ASP A 260
ILE A 291
ASN A  36
TYR A 113
 None
None
None
GOL  A7001 ( 4.9A)
 1.10A 6hisB-3lrkA:
undetectable
6hisC-3lrkA:
undetectable		 6hisB-3lrkA:
12.44
6hisC-3lrkA:
12.44
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.
6HIS_C_TKTC508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		 3lrk ALPHA-GALACTOSIDASE
1
(Saccharomyces
cerevisiae) 		4 / 8 ASP A 260
ILE A 291
ASN A  36
TYR A 113
 None
None
None
GOL  A7001 ( 4.9A)
 1.09A 6hisC-3lrkA:
undetectable
6hisD-3lrkA:
undetectable		 6hisC-3lrkA:
12.44
6hisD-3lrkA:
12.44
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.
6HIS_D_TKTD501_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		 3lrk ALPHA-GALACTOSIDASE
1
(Saccharomyces
cerevisiae) 		4 / 8 ASP A 260
ILE A 291
ASN A  36
TYR A 113
 None
None
None
GOL  A7001 ( 4.9A)
 1.09A 6hisD-3lrkA:
undetectable
6hisE-3lrkA:
undetectable		 6hisD-3lrkA:
12.44
6hisE-3lrkA:
12.44
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.
6HIS_E_TKTE501_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		 3lrk ALPHA-GALACTOSIDASE
1
(Saccharomyces
cerevisiae) 		4 / 8 ASN A  36
TYR A 113
ASP A 260
ILE A 291
 None
GOL  A7001 ( 4.9A)
None
None
 1.09A 6hisA-3lrkA:
undetectable
6hisE-3lrkA:
undetectable		 6hisA-3lrkA:
12.44
6hisE-3lrkA:
12.44
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.
6N7F_A_RBFA502_0
(PUTATIVE GLUTATHIONE
REDUCTASE (GR))		 2pwh SUCROSE ISOMERASE
([Pseudomonas]
mesoacidophila) 		4 / 7 GLY A  29
HIS A 326
ASN A  52
GLY A  63
 CA  A7001 ( 4.6A)
None
None
None
 0.94A 6n7fA-2pwhA:
undetectable		 6n7fA-2pwhA:
8.63