SIMILAR PATTERNS OF AMINO ACIDS FOR 1YAJ_C_BEZC5013_0

List of similar pattern of amino acids derived from ASSAM search

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 link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. 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.
13pk 3-PHOSPHOGLYCERATE
KINASE

(Trypanosoma
brucei) 		PF00162
(PGK) 		5 GLY A 168
GLY A 397
GLY A 398
ALA A 400
ILE A 372
 3PG  A 423 (-4.7A)
None
ADP  A 421 ( 4.3A)
None
None
 1.07A 1yajC-13pkA:
undetectable		 1yajC-13pkA:
22.69
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.
13pk 3-PHOSPHOGLYCERATE
KINASE

(Trypanosoma
brucei) 		PF00162
(PGK) 		5 GLY A 397
GLY A 398
GLY A 399
ALA A 400
ILE A 336
 None
ADP  A 421 ( 4.3A)
None
None
None
 0.88A 1yajC-13pkA:
undetectable		 1yajC-13pkA:
22.69
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.
1ac5 KEX1(DELTA)P

(Saccharomyces
cerevisiae) 		PF00450
(Peptidase_S10) 		5 GLY A  75
GLY A  76
SER A 176
ILE A 385
HIS A 448
 None
 0.82A 1yajC-1ac5A:
10.9		 1yajC-1ac5A:
19.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1aql BILE-SALT ACTIVATED
LIPASE

(Bos taurus) 		PF00135
(COesterase) 		5 GLY A 106
GLY A 107
SER A 194
ALA A 195
HIS A 435
 None
 1.00A 1yajC-1aqlA:
47.3		 1yajC-1aqlA:
35.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1aql BILE-SALT ACTIVATED
LIPASE

(Bos taurus) 		PF00135
(COesterase) 		6 GLY A 106
GLY A 107
SER A 194
ALA A 195
LEU A 285
HIS A 435
 None
 1.26A 1yajC-1aqlA:
47.3		 1yajC-1aqlA:
35.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1b41 ACETYLCHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		6 GLY A 120
GLY A 121
GLY A 122
SER A 203
ALA A 204
HIS A 447
 None
 0.26A 1yajC-1b41A:
46.0		 1yajC-1b41A:
36.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1b41 ACETYLCHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		5 GLY A 121
GLY A 122
SER A 203
ALA A 204
HIS A 447
 None
 0.86A 1yajC-1b41A:
46.0		 1yajC-1b41A:
36.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1b41 ACETYLCHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		6 GLY A 205
GLY A 120
GLY A 121
SER A 203
ALA A 204
HIS A 447
 None
 1.20A 1yajC-1b41A:
46.0		 1yajC-1b41A:
36.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1c2o ACETYLCHOLINESTERASE

(Electrophorus
electricus) 		PF00135
(COesterase) 		6 GLY A 120
GLY A 121
GLY A 122
SER A 203
ALA A 204
HIS A 447
 None
 0.38A 1yajC-1c2oA:
45.5		 1yajC-1c2oA:
36.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1c2o ACETYLCHOLINESTERASE

(Electrophorus
electricus) 		PF00135
(COesterase) 		5 GLY A 120
GLY A 121
SER A 203
ALA A 204
HIS A 447
 None
 1.03A 1yajC-1c2oA:
45.5		 1yajC-1c2oA:
36.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1c2o ACETYLCHOLINESTERASE

(Electrophorus
electricus) 		PF00135
(COesterase) 		5 GLY A 121
GLY A 122
SER A 203
ALA A 204
HIS A 447
 None
 0.74A 1yajC-1c2oA:
45.5		 1yajC-1c2oA:
36.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1c30 CARBAMOYL PHOSPHATE
SYNTHETASE: LARGE
SUBUNIT

(Escherichia
coli) 		PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3) 		5 GLY A 281
GLY A 280
ALA A 323
LEU A 272
ILE A 229
 None
 1.05A 1yajC-1c30A:
3.2		 1yajC-1c30A:
18.91
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.
1c30 CARBAMOYL PHOSPHATE
SYNTHETASE: LARGE
SUBUNIT

(Escherichia
coli) 		PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3) 		5 GLY A1046
GLY A1047
ALA A1049
LEU A 964
HIS A1039
 None
 1.00A 1yajC-1c30A:
3.2		 1yajC-1c30A:
18.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1c7j PROTEIN
(PARA-NITROBENZYL
ESTERASE)

(Bacillus
subtilis) 		PF00135
(COesterase) 		5 GLY A 105
GLY A 106
SER A 189
ALA A 190
HIS A 399
 None
 0.22A 1yajC-1c7jA:
43.3		 1yajC-1c7jA:
36.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1c7j PROTEIN
(PARA-NITROBENZYL
ESTERASE)

(Bacillus
subtilis) 		PF00135
(COesterase) 		7 GLY A 191
GLY A 105
GLY A 106
SER A 189
ALA A 190
LEU A  67
HIS A 399
 None
 1.09A 1yajC-1c7jA:
43.3		 1yajC-1c7jA:
36.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1cle CHOLESTEROL ESTERASE

([Candida]
cylindracea) 		PF00135
(COesterase) 		6 GLY A 122
GLY A 123
GLY A 124
SER A 209
ALA A 210
HIS A 449
 CLL  A 801 (-4.3A)
CLL  A 801 (-3.3A)
CLL  A 801 (-3.3A)
CLL  A 801 ( 2.8A)
CLL  A 801 (-4.0A)
CLL  A 801 (-4.8A)
 0.39A 1yajC-1cleA:
39.2		 1yajC-1cleA:
30.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1cle CHOLESTEROL ESTERASE

([Candida]
cylindracea) 		PF00135
(COesterase) 		5 GLY A 123
GLY A 124
SER A 209
ALA A 210
HIS A 449
 CLL  A 801 (-3.3A)
CLL  A 801 (-3.3A)
CLL  A 801 ( 2.8A)
CLL  A 801 (-4.0A)
CLL  A 801 (-4.8A)
 0.75A 1yajC-1cleA:
39.2		 1yajC-1cleA:
30.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1cle CHOLESTEROL ESTERASE

([Candida]
cylindracea) 		PF00135
(COesterase) 		6 GLY A 211
GLY A 122
GLY A 123
SER A 209
ALA A 210
HIS A 449
 None
CLL  A 801 (-4.3A)
CLL  A 801 (-3.3A)
CLL  A 801 ( 2.8A)
CLL  A 801 (-4.0A)
CLL  A 801 (-4.8A)
 1.23A 1yajC-1cleA:
39.2		 1yajC-1cleA:
30.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1crl LIPASE

(Diutina rugosa) 		PF00135
(COesterase) 		6 GLY A 122
GLY A 123
GLY A 124
SER A 209
ALA A 210
HIS A 449
 None
 0.47A 1yajC-1crlA:
38.9		 1yajC-1crlA:
30.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1crl LIPASE

(Diutina rugosa) 		PF00135
(COesterase) 		5 GLY A 123
GLY A 124
SER A 209
ALA A 210
HIS A 449
 None
 0.73A 1yajC-1crlA:
38.9		 1yajC-1crlA:
30.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1crl LIPASE

(Diutina rugosa) 		PF00135
(COesterase) 		6 GLY A 211
GLY A 122
GLY A 123
SER A 209
ALA A 210
HIS A 449
 None
 1.20A 1yajC-1crlA:
38.9		 1yajC-1crlA:
30.80
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.
1dqz PROTEIN (ANTIGEN
85-C)

(Mycobacterium
tuberculosis) 		PF00756
(Esterase) 		5 GLY A 122
GLY A 127
GLY A 128
LEU A 151
ILE A 205
 None
 0.95A 1yajC-1dqzA:
6.0		 1yajC-1dqzA:
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.
1evq SERINE HYDROLASE

(Alicyclobacillus
acidocaldarius) 		PF07859
(Abhydrolase_3) 		6 GLY A  82
GLY A  83
GLY A  84
SER A 155
ALA A 156
HIS A 282
 EPE  A 455 (-3.5A)
EPE  A 455 (-3.3A)
EPE  A 455 (-3.3A)
EPE  A 455 (-1.4A)
EPE  A 455 (-3.8A)
EPE  A 455 (-4.0A)
 0.30A 1yajC-1evqA:
17.3		 1yajC-1evqA:
22.45
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.
1evq SERINE HYDROLASE

(Alicyclobacillus
acidocaldarius) 		PF07859
(Abhydrolase_3) 		5 GLY A  82
GLY A  83
SER A 155
ALA A 156
HIS A 282
 EPE  A 455 (-3.5A)
EPE  A 455 (-3.3A)
EPE  A 455 (-1.4A)
EPE  A 455 (-3.8A)
EPE  A 455 (-4.0A)
 0.96A 1yajC-1evqA:
17.3		 1yajC-1evqA:
22.45
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.
1evq SERINE HYDROLASE

(Alicyclobacillus
acidocaldarius) 		PF07859
(Abhydrolase_3) 		5 GLY A  83
GLY A  84
SER A 155
ALA A 156
HIS A 282
 EPE  A 455 (-3.3A)
EPE  A 455 (-3.3A)
EPE  A 455 (-1.4A)
EPE  A 455 (-3.8A)
EPE  A 455 (-4.0A)
 0.84A 1yajC-1evqA:
17.3		 1yajC-1evqA:
22.45
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.
1evq SERINE HYDROLASE

(Alicyclobacillus
acidocaldarius) 		PF07859
(Abhydrolase_3) 		5 GLY A 152
GLY A 153
GLY A 158
ALA A 161
ILE A 246
 None
 0.91A 1yajC-1evqA:
17.3		 1yajC-1evqA:
22.45
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.
1fy2 ASPARTYL DIPEPTIDASE

(Salmonella
enterica) 		PF03575
(Peptidase_S51) 		5 GLY A  87
GLY A  88
SER A 120
ALA A 121
HIS A 157
 None
 0.69A 1yajC-1fy2A:
undetectable		 1yajC-1fy2A:
17.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fy2 ASPARTYL DIPEPTIDASE

(Salmonella
enterica) 		PF03575
(Peptidase_S51) 		5 GLY A  87
GLY A  88
SER A 120
ALA A 121
HIS A 157
 None
 1.08A 1yajC-1fy2A:
undetectable		 1yajC-1fy2A:
17.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gqr ACETYLCHOLINESTERASE

(Tetronarce
californica) 		PF00135
(COesterase) 		6 GLY A 117
GLY A 118
GLY A 119
SER A 200
ALA A 201
HIS A 440
 SAF  A1998 (-3.1A)
SAF  A1998 ( 3.5A)
EMM  A1999 (-3.5A)
EMM  A1999 ( 1.4A)
EMM  A1999 (-3.6A)
EMM  A1999 ( 3.8A)
 0.59A 1yajC-1gqrA:
49.9		 1yajC-1gqrA:
37.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gqr ACETYLCHOLINESTERASE

(Tetronarce
californica) 		PF00135
(COesterase) 		5 GLY A 118
GLY A 119
SER A 200
ALA A 201
HIS A 440
 SAF  A1998 ( 3.5A)
EMM  A1999 (-3.5A)
EMM  A1999 ( 1.4A)
EMM  A1999 (-3.6A)
EMM  A1999 ( 3.8A)
 1.06A 1yajC-1gqrA:
49.9		 1yajC-1gqrA:
37.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gqr ACETYLCHOLINESTERASE

(Tetronarce
californica) 		PF00135
(COesterase) 		5 GLY A 202
GLY A 117
GLY A 118
SER A 200
ALA A 201
 None
SAF  A1998 (-3.1A)
SAF  A1998 ( 3.5A)
EMM  A1999 ( 1.4A)
EMM  A1999 (-3.6A)
 1.09A 1yajC-1gqrA:
49.9		 1yajC-1gqrA:
37.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gz7 LIPASE 2

(Diutina rugosa) 		PF00135
(COesterase) 		6 GLY A 122
GLY A 123
GLY A 124
SER A 209
ALA A 210
HIS A 449
 None
 0.40A 1yajC-1gz7A:
39.5		 1yajC-1gz7A:
31.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gz7 LIPASE 2

(Diutina rugosa) 		PF00135
(COesterase) 		6 GLY A 211
GLY A 122
GLY A 123
SER A 209
ALA A 210
HIS A 449
 None
 1.16A 1yajC-1gz7A:
39.5		 1yajC-1gz7A:
31.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gz7 LIPASE 2

(Diutina rugosa) 		PF00135
(COesterase) 		6 GLY A 211
GLY A 122
SER A 209
ALA A 210
LEU A 127
HIS A 449
 None
 1.30A 1yajC-1gz7A:
39.5		 1yajC-1gz7A:
31.39
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.
1hdi PHOSPHOGLYCERATE
KINASE

(Sus scrofa) 		PF00162
(PGK) 		5 GLY A 394
GLY A 395
GLY A 396
SER A 398
ALA A 397
 None
 1.08A 1yajC-1hdiA:
undetectable		 1yajC-1hdiA:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jji CARBOXYLESTERASE

(Archaeoglobus
fulgidus) 		PF07859
(Abhydrolase_3) 		6 GLY A  87
GLY A  88
GLY A  89
SER A 160
ALA A 161
HIS A 285
 EPE  A 455 ( 4.0A)
EPE  A 455 (-3.7A)
EPE  A 455 (-3.4A)
EPE  A 455 (-1.6A)
EPE  A 455 (-3.4A)
EPE  A 455 (-4.6A)
 0.46A 1yajC-1jjiA:
18.6		 1yajC-1jjiA:
21.08
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.
1jji CARBOXYLESTERASE

(Archaeoglobus
fulgidus) 		PF07859
(Abhydrolase_3) 		5 GLY A  87
GLY A  88
GLY A  89
SER A 160
ILE A 209
 EPE  A 455 ( 4.0A)
EPE  A 455 (-3.7A)
EPE  A 455 (-3.4A)
EPE  A 455 (-1.6A)
None
 1.04A 1yajC-1jjiA:
18.6		 1yajC-1jjiA:
21.08
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.
1jji CARBOXYLESTERASE

(Archaeoglobus
fulgidus) 		PF07859
(Abhydrolase_3) 		5 GLY A  88
GLY A  89
SER A 160
ALA A 161
HIS A 285
 EPE  A 455 (-3.7A)
EPE  A 455 (-3.4A)
EPE  A 455 (-1.6A)
EPE  A 455 (-3.4A)
EPE  A 455 (-4.6A)
 0.93A 1yajC-1jjiA:
18.6		 1yajC-1jjiA:
21.08
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.
1jji CARBOXYLESTERASE

(Archaeoglobus
fulgidus) 		PF07859
(Abhydrolase_3) 		5 GLY A 157
GLY A 158
GLY A 163
ALA A 166
ILE A 249
 None
 0.94A 1yajC-1jjiA:
18.6		 1yajC-1jjiA:
21.08
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.
1jji CARBOXYLESTERASE

(Archaeoglobus
fulgidus) 		PF07859
(Abhydrolase_3) 		6 GLY A 162
GLY A  87
GLY A  88
SER A 160
ALA A 161
HIS A 285
 None
EPE  A 455 ( 4.0A)
EPE  A 455 (-3.7A)
EPE  A 455 (-1.6A)
EPE  A 455 (-3.4A)
EPE  A 455 (-4.6A)
 1.24A 1yajC-1jjiA:
18.6		 1yajC-1jjiA:
21.08
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.
1jkm BREFELDIN A ESTERASE

(Bacillus
subtilis) 		PF07859
(Abhydrolase_3) 		6 GLY A 126
GLY A 127
GLY A 128
SER A 202
ILE A 260
HIS A 338
 None
 0.53A 1yajC-1jkmA:
18.4		 1yajC-1jkmA:
22.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jkm BREFELDIN A ESTERASE

(Bacillus
subtilis) 		PF07859
(Abhydrolase_3) 		5 GLY A 126
GLY A 127
LEU A 268
ILE A 260
HIS A 338
 None
 1.07A 1yajC-1jkmA:
18.4		 1yajC-1jkmA:
22.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jkm BREFELDIN A ESTERASE

(Bacillus
subtilis) 		PF07859
(Abhydrolase_3) 		5 GLY A 128
GLY A 203
GLY A 204
ILE A 231
HIS A 338
 None
 0.99A 1yajC-1jkmA:
18.4		 1yajC-1jkmA:
22.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jmy BILE-SALT-ACTIVATED
LIPASE

(Homo sapiens) 		PF00135
(COesterase) 		5 GLY A 106
GLY A 107
SER A 194
ALA A 195
HIS A 435
 None
 0.29A 1yajC-1jmyA:
47.2		 1yajC-1jmyA:
35.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jmy BILE-SALT-ACTIVATED
LIPASE

(Homo sapiens) 		PF00135
(COesterase) 		5 GLY A 196
GLY A 106
GLY A 107
ALA A 195
HIS A 435
 None
 1.07A 1yajC-1jmyA:
47.2		 1yajC-1jmyA:
35.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jr1 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2

(Cricetulus
griseus) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 GLY A  86
GLY A  87
SER A 237
ALA A  83
ILE A  59
 None
 0.97A 1yajC-1jr1A:
undetectable		 1yajC-1jr1A:
22.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jsw L-ASPARTATE
AMMONIA-LYASE

(Escherichia
coli) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		5 GLY A 103
GLY A 101
GLY A 100
SER A 105
HIS A  26
 None
 0.92A 1yajC-1jswA:
undetectable		 1yajC-1jswA:
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.
1k32 TRICORN PROTEASE

(Thermoplasma
acidophilum) 		PF03572
(Peptidase_S41)
PF07676
(PD40)
PF14684
(Tricorn_C1)
PF14685
(Tricorn_PDZ) 		5 GLY A 917
GLY A 918
SER A 965
ILE A 994
HIS A 746
 None
 0.95A 1yajC-1k32A:
undetectable		 1yajC-1k32A:
21.29
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.
1k32 TRICORN PROTEASE

(Thermoplasma
acidophilum) 		PF03572
(Peptidase_S41)
PF07676
(PD40)
PF14684
(Tricorn_C1)
PF14685
(Tricorn_PDZ) 		5 GLY A 917
GLY A 918
SER A 965
ILE A 994
HIS A 746
 None
 1.03A 1yajC-1k32A:
undetectable		 1yajC-1k32A:
21.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1k4y LIVER
CARBOXYLESTERASE

(Oryctolagus
cuniculus) 		PF00135
(COesterase) 		6 GLY A 141
GLY A 142
GLY A 143
SER A 221
ALA A 222
HIS A 467
 None
 0.73A 1yajC-1k4yA:
62.8		 1yajC-1k4yA:
82.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1k4y LIVER
CARBOXYLESTERASE

(Oryctolagus
cuniculus) 		PF00135
(COesterase) 		6 GLY A 223
GLY A 141
GLY A 142
SER A 221
ALA A 222
HIS A 467
 None
 1.27A 1yajC-1k4yA:
62.8		 1yajC-1k4yA:
82.49
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.
1lqt FPRA

(Mycobacterium
tuberculosis) 		PF07992
(Pyr_redox_2) 		5 GLY A  12
GLY A  10
SER A  14
ALA A  15
ILE A 360
 FAD  A2457 (-3.6A)
FAD  A2457 (-3.2A)
FAD  A2457 (-2.7A)
None
None
 0.93A 1yajC-1lqtA:
undetectable		 1yajC-1lqtA:
23.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lzk HEROIN ESTERASE

(Rhodococcus sp.) 		PF07859
(Abhydrolase_3) 		5 GLY A  87
GLY A  88
GLY A  89
ALA A 161
HIS A 290
 CAC  A 500 ( 3.8A)
CAC  A 500 (-3.5A)
CAC  A 500 (-3.5A)
CAC  A 500 (-3.2A)
CAC  A 500 (-4.1A)
 0.35A 1yajC-1lzkA:
18.6		 1yajC-1lzkA:
22.37
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.
1mjf SPERMIDINE SYNTHASE

(Pyrococcus
furiosus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A  83
GLY A  84
LEU A 124
ILE A 119
HIS A  61
 None
 1.00A 1yajC-1mjfA:
undetectable		 1yajC-1mjfA:
19.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n31 L-CYSTEINE/CYSTINE
LYASE C-DES

(Synechocystis
sp. PCC 6714) 		PF00266
(Aminotran_5) 		5 GLY A  26
ALA A 223
LEU A 334
ILE A 305
HIS A 373
 CYS  A2002 (-4.8A)
None
None
None
None
 1.06A 1yajC-1n31A:
undetectable		 1yajC-1n31A:
21.09
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.
1n31 L-CYSTEINE/CYSTINE
LYASE C-DES

(Synechocystis
sp. PCC 6714) 		PF00266
(Aminotran_5) 		5 GLY A  29
GLY A  26
ALA A 223
ILE A 305
HIS A 373
 None
CYS  A2002 (-4.8A)
None
None
None
 1.09A 1yajC-1n31A:
undetectable		 1yajC-1n31A:
21.09
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.
1oht CG14704 PROTEIN

(Drosophila
melanogaster) 		PF01510
(Amidase_2) 		5 GLY A  77
GLY A  98
ALA A  99
ILE A  40
HIS A  42
 None
None
EDO  A1186 (-4.0A)
None
ZN  A1185 (-3.2A)
 0.93A 1yajC-1ohtA:
undetectable		 1yajC-1ohtA:
17.04
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.
1oj4 4-DIPHOSPHOCYTIDYL-2
-C-METHYL-D-ERYTHRIT
OL KINASE

(Escherichia
coli) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 GLY A 101
GLY A 102
GLY A 103
LEU A 237
ILE A 184
 ANP  A1285 (-2.9A)
ANP  A1285 (-4.0A)
ANP  A1285 (-3.0A)
None
None
 1.02A 1yajC-1oj4A:
undetectable		 1yajC-1oj4A:
20.37
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.
1q7r PREDICTED
AMIDOTRANSFERASE

(Geobacillus
stearothermophilus) 		PF01174
(SNO) 		5 GLY A  80
GLY A  45
GLY A  46
ALA A  79
HIS A 169
 None
 0.95A 1yajC-1q7rA:
undetectable		 1yajC-1q7rA:
18.05
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.
1qon ACETYLCHOLINESTERASE

(Drosophila
melanogaster) 		PF00135
(COesterase) 		6 GLY A 149
GLY A 150
GLY A 151
SER A 238
ALA A 239
HIS A 480
 SO4  A 593 ( 4.2A)
I40  A 997 (-3.9A)
SO4  A 593 (-3.4A)
SO4  A 593 (-1.9A)
SO4  A 593 (-3.2A)
SO4  A 593 (-4.1A)
 0.37A 1yajC-1qonA:
47.0		 1yajC-1qonA:
29.18
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.
1qon ACETYLCHOLINESTERASE

(Drosophila
melanogaster) 		PF00135
(COesterase) 		5 GLY A 150
GLY A 151
SER A 238
ALA A 239
HIS A 480
 I40  A 997 (-3.9A)
SO4  A 593 (-3.4A)
SO4  A 593 (-1.9A)
SO4  A 593 (-3.2A)
SO4  A 593 (-4.1A)
 0.95A 1yajC-1qonA:
47.0		 1yajC-1qonA:
29.18
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.
1qon ACETYLCHOLINESTERASE

(Drosophila
melanogaster) 		PF00135
(COesterase) 		6 GLY A 240
GLY A 149
GLY A 150
SER A 238
ALA A 239
HIS A 480
 None
SO4  A 593 ( 4.2A)
I40  A 997 (-3.9A)
SO4  A 593 (-1.9A)
SO4  A 593 (-3.2A)
SO4  A 593 (-4.1A)
 1.18A 1yajC-1qonA:
47.0		 1yajC-1qonA:
29.18
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.
1rwr FILAMENTOUS
HEMAGGLUTININ

(Bordetella
pertussis) 		PF05860
(Haemagg_act) 		5 GLY A 171
GLY A 223
ALA A 172
LEU A 247
ILE A 184
 None
 1.05A 1yajC-1rwrA:
undetectable		 1yajC-1rwrA:
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.
1tdf THIOREDOXIN
REDUCTASE

(Escherichia
coli) 		PF07992
(Pyr_redox_2) 		5 GLY A 152
GLY A 153
GLY A 154
ALA A 157
ILE A 187
 NAP  A 481 ( 3.9A)
NAP  A 481 (-4.4A)
NAP  A 481 ( 3.9A)
None
None
 1.02A 1yajC-1tdfA:
undetectable		 1yajC-1tdfA:
21.72
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.
1ukc ESTA

(Aspergillus
niger) 		PF00135
(COesterase) 		6 GLY A 126
GLY A 127
GLY A 128
SER A 210
ALA A 211
HIS A 440
 EDO  A1902 ( 4.3A)
EDO  A1902 (-3.6A)
EDO  A1902 (-3.4A)
EDO  A1902 (-2.4A)
EDO  A1902 (-4.0A)
EDO  A1902 ( 4.9A)
 0.34A 1yajC-1ukcA:
37.4		 1yajC-1ukcA:
29.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ukc ESTA

(Aspergillus
niger) 		PF00135
(COesterase) 		6 GLY A 212
GLY A 126
GLY A 127
SER A 210
ALA A 211
HIS A 440
 None
EDO  A1902 ( 4.3A)
EDO  A1902 (-3.6A)
EDO  A1902 (-2.4A)
EDO  A1902 (-4.0A)
EDO  A1902 ( 4.9A)
 1.25A 1yajC-1ukcA:
37.4		 1yajC-1ukcA:
29.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vpe PHOSPHOGLYCERATE
KINASE

(Thermotoga
maritima) 		PF00162
(PGK) 		5 GLY A 354
GLY A 353
GLY A 352
SER A 356
LEU A 380
 ANP  A 400 (-3.6A)
ANP  A 400 (-3.0A)
None
ANP  A 400 (-2.4A)
None
 1.01A 1yajC-1vpeA:
undetectable		 1yajC-1vpeA:
21.64
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.
1vpe PHOSPHOGLYCERATE
KINASE

(Thermotoga
maritima) 		PF00162
(PGK) 		5 GLY A 375
GLY A 376
GLY A 377
SER A 379
ALA A 378
 None
ANP  A 400 (-3.5A)
ANP  A 400 ( 4.5A)
None
None
 1.06A 1yajC-1vpeA:
undetectable		 1yajC-1vpeA:
21.64
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.
1zl6 BOTULINUM NEUROTOXIN
TYPE E

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		5 GLY A 178
GLY A 222
GLY A 176
LEU A 274
ILE A 326
 None
 1.08A 1yajC-1zl6A:
undetectable		 1yajC-1zl6A:
23.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zmb ACETYLXYLAN ESTERASE
RELATED ENZYME

(Clostridium
acetobutylicum) 		PF03629
(SASA) 		5 GLY A  81
GLY A  82
SER A  11
ILE A 206
HIS A 207
 None
 0.97A 1yajC-1zmbA:
3.4		 1yajC-1zmbA:
21.02
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.
2c7b CARBOXYLESTERASE

(uncultured
archaeon) 		PF07859
(Abhydrolase_3) 		6 GLY A  81
GLY A  82
GLY A  83
SER A 154
ALA A 155
HIS A 281
 None
 0.35A 1yajC-2c7bA:
18.9		 1yajC-2c7bA:
24.34
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.
2c7b CARBOXYLESTERASE

(uncultured
archaeon) 		PF07859
(Abhydrolase_3) 		6 GLY A  81
GLY A  82
GLY A  83
SER A 154
ALA A 155
LEU A 210
 None
 0.96A 1yajC-2c7bA:
18.9		 1yajC-2c7bA:
24.34
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.
2c7b CARBOXYLESTERASE

(uncultured
archaeon) 		PF07859
(Abhydrolase_3) 		5 GLY A  82
GLY A  83
SER A 154
ALA A 155
HIS A 281
 None
 0.81A 1yajC-2c7bA:
18.9		 1yajC-2c7bA:
24.34
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.
2c7b CARBOXYLESTERASE

(uncultured
archaeon) 		PF07859
(Abhydrolase_3) 		6 GLY A 156
GLY A  81
GLY A  82
SER A 154
ALA A 155
HIS A 281
 None
 1.22A 1yajC-2c7bA:
18.9		 1yajC-2c7bA:
24.34
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.
2f2b AQUAPORIN AQPM

(Methanothermobacter
marburgensis) 		PF00230
(MIP) 		5 GLY A 133
GLY A 131
GLY A 130
ALA A  27
ILE A  44
 None
 1.05A 1yajC-2f2bA:
undetectable		 1yajC-2f2bA:
17.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca sexta) 		PF00135
(COesterase) 		5 GLY A 145
GLY A 146
GLY A 147
ALA A 227
LEU A 313
 TFC  A 600 (-3.5A)
TFC  A 600 (-3.4A)
TFC  A 600 (-3.6A)
TFC  A 600 (-3.5A)
TFC  A 600 (-4.2A)
 0.77A 1yajC-2fj0A:
45.6		 1yajC-2fj0A:
30.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca sexta) 		PF00135
(COesterase) 		6 GLY A 145
GLY A 146
GLY A 147
SER A 226
ALA A 227
HIS A 471
 TFC  A 600 (-3.5A)
TFC  A 600 (-3.4A)
TFC  A 600 (-3.6A)
TFC  A 600 (-1.4A)
TFC  A 600 (-3.5A)
TFC  A 600 (-4.2A)
 0.56A 1yajC-2fj0A:
45.6		 1yajC-2fj0A:
30.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca sexta) 		PF00135
(COesterase) 		6 GLY A 228
GLY A 145
GLY A 146
SER A 226
ALA A 227
HIS A 471
 None
TFC  A 600 (-3.5A)
TFC  A 600 (-3.4A)
TFC  A 600 (-1.4A)
TFC  A 600 (-3.5A)
TFC  A 600 (-4.2A)
 1.15A 1yajC-2fj0A:
45.6		 1yajC-2fj0A:
30.76
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.
2g1k SHIKIMATE KINASE

(Mycobacterium
tuberculosis) 		PF01202
(SKI) 		5 GLY A  81
GLY A  80
GLY A  79
ALA A  82
ILE A  45
 SKM  A 401 (-3.3A)
SKM  A 401 (-4.1A)
SKM  A 401 (-3.5A)
None
SKM  A 401 ( 4.6A)
 0.98A 1yajC-2g1kA:
undetectable		 1yajC-2g1kA:
16.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hhg HYPOTHETICAL PROTEIN
RPA3614

(Rhodopseudomonas
palustris) 		PF00581
(Rhodanese) 		5 GLY A 118
GLY A 119
GLY A 121
ALA A 122
ILE A  56
 None
 1.04A 1yajC-2hhgA:
undetectable		 1yajC-2hhgA:
14.10
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.
2hiv THERMOSTABLE DNA
LIGASE

(Sulfolobus
solfataricus) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		5 GLY A 190
GLY A 189
GLY A 188
SER A 192
ALA A 193
 None
 1.01A 1yajC-2hivA:
2.3		 1yajC-2hivA:
22.29
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.
2hk0 D-PSICOSE
3-EPIMERASE

(Agrobacterium
tumefaciens) 		PF01261
(AP_endonuc_2) 		5 GLY A 106
GLY A 105
GLY A  65
ILE A 242
HIS A 209
 GLY  A 106 ( 0.0A)
GLY  A 105 ( 0.0A)
GLY  A  65 ( 0.0A)
ILE  A 242 ( 0.7A)
HIS  A 209 ( 1.0A)
 1.01A 1yajC-2hk0A:
undetectable		 1yajC-2hk0A:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hru PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE II

(Thermotoga
maritima) 		PF00586
(AIRS)
PF02769
(AIRS_C)
PF16904
(PurL_C) 		5 GLY A  55
SER A 476
ALA A 475
LEU A 402
ILE A  69
 None
 0.93A 1yajC-2hruA:
undetectable		 1yajC-2hruA:
21.88
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.
2ie8 PHOSPHOGLYCERATE
KINASE

(Thermus
caldophilus) 		PF00162
(PGK) 		5 GLY A 348
GLY A 347
GLY A 346
SER A 350
LEU A 374
 None
 1.02A 1yajC-2ie8A:
undetectable		 1yajC-2ie8A:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2kh2 SCFV

(Mus musculus) 		PF07686
(V-set) 		5 GLY B 183
GLY B 184
GLY B 185
SER B 181
ILE B 199
 None
 0.84A 1yajC-2kh2B:
undetectable		 1yajC-2kh2B:
17.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nyg YOKD PROTEIN

(Bacillus
subtilis) 		PF02522
(Antibiotic_NAT) 		5 GLY A 243
SER A 244
ALA A 245
LEU A  39
ILE A   5
 None
None
None
COA  A 301 (-4.3A)
COA  A 301 (-4.3A)
 1.03A 1yajC-2nygA:
undetectable		 1yajC-2nygA:
20.08
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.
2o7r CXE CARBOXYLESTERASE

(Actinidia
eriantha) 		PF07859
(Abhydrolase_3) 		7 GLY A  91
GLY A  92
GLY A  93
SER A 169
ALA A 170
LEU A  22
HIS A 306
 4PA  A 369 ( 3.8A)
4PA  A 369 (-3.5A)
4PA  A 369 (-3.6A)
4PA  A 369 (-1.8A)
4PA  A 369 (-3.2A)
None
4PA  A 369 (-4.8A)
 0.72A 1yajC-2o7rA:
5.7		 1yajC-2o7rA:
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.
2o7r CXE CARBOXYLESTERASE

(Actinidia
eriantha) 		PF07859
(Abhydrolase_3) 		5 GLY A  91
GLY A  92
SER A 169
ALA A 170
HIS A 306
 4PA  A 369 ( 3.8A)
4PA  A 369 (-3.5A)
4PA  A 369 (-1.8A)
4PA  A 369 (-3.2A)
4PA  A 369 (-4.8A)
 0.93A 1yajC-2o7rA:
5.7		 1yajC-2o7rA:
24.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ogs THERMOSTABLE
CARBOXYLESTERASE
EST50

(Geobacillus
stearothermophilus) 		PF00135
(COesterase) 		5 GLY A 196
GLY A 107
GLY A 108
SER A 194
ALA A 195
 GLY  A 196 ( 0.0A)
GLY  A 107 ( 0.0A)
GLY  A 108 ( 0.0A)
SER  A 194 ( 0.0A)
ALA  A 195 ( 0.0A)
 1.03A 1yajC-2ogsA:
47.9		 1yajC-2ogsA:
35.74
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.
2p88 MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Bacillus cereus) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A  48
GLY A  46
ALA A 102
LEU A 349
ILE A 274
 None
 1.09A 1yajC-2p88A:
undetectable		 1yajC-2p88A:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pbl PUTATIVE
ESTERASE/LIPASE/THIO
ESTERASE

(Ruegeria sp.
TM1040) 		PF07859
(Abhydrolase_3) 		5 GLY A  70
GLY A  71
SER A 136
ALA A 137
HIS A 241
 UNL  A 263 ( 4.2A)
UNL  A 263 (-4.1A)
UNL  A 263 (-3.7A)
None
UNL  A 263 (-4.3A)
 0.35A 1yajC-2pblA:
16.7		 1yajC-2pblA:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pbl PUTATIVE
ESTERASE/LIPASE/THIO
ESTERASE

(Ruegeria sp.
TM1040) 		PF07859
(Abhydrolase_3) 		6 GLY A 138
GLY A  70
GLY A  71
SER A 136
ALA A 137
HIS A 241
 None
UNL  A 263 ( 4.2A)
UNL  A 263 (-4.1A)
UNL  A 263 (-3.7A)
None
UNL  A 263 (-4.3A)
 1.21A 1yajC-2pblA:
16.7		 1yajC-2pblA:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pth PEPTIDYL-TRNA
HYDROLASE

(Escherichia
coli) 		PF01195
(Pept_tRNA_hydro) 		5 GLY A  23
GLY A   7
ALA A  91
LEU A  61
ILE A 119
 None
 0.99A 1yajC-2pthA:
undetectable		 1yajC-2pthA:
16.35
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.
2qru UNCHARACTERIZED
PROTEIN

(Enterococcus
faecalis) 		PF07859
(Abhydrolase_3) 		6 GLY A  33
GLY A  34
GLY A  35
SER A 102
ALA A 103
HIS A 247
 PO4  A 273 ( 3.7A)
PO4  A 273 (-3.3A)
PO4  A 273 (-3.5A)
PO4  A 273 (-2.3A)
PO4  A 273 (-3.5A)
PO4  A 273 (-4.0A)
 0.45A 1yajC-2qruA:
14.7		 1yajC-2qruA:
19.09
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.
2qru UNCHARACTERIZED
PROTEIN

(Enterococcus
faecalis) 		PF07859
(Abhydrolase_3) 		5 GLY A  33
GLY A  34
SER A 102
ALA A 103
HIS A 247
 PO4  A 273 ( 3.7A)
PO4  A 273 (-3.3A)
PO4  A 273 (-2.3A)
PO4  A 273 (-3.5A)
PO4  A 273 (-4.0A)
 1.00A 1yajC-2qruA:
14.7		 1yajC-2qruA:
19.09
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.
2qru UNCHARACTERIZED
PROTEIN

(Enterococcus
faecalis) 		PF07859
(Abhydrolase_3) 		5 GLY A  34
GLY A  35
ALA A 103
LEU A 183
HIS A 247
 PO4  A 273 (-3.3A)
PO4  A 273 (-3.5A)
PO4  A 273 (-3.5A)
None
PO4  A 273 (-4.0A)
 1.02A 1yajC-2qruA:
14.7		 1yajC-2qruA:
19.09
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.
2qru UNCHARACTERIZED
PROTEIN

(Enterococcus
faecalis) 		PF07859
(Abhydrolase_3) 		5 GLY A  35
SER A 102
ALA A 103
LEU A 183
HIS A 247
 PO4  A 273 (-3.5A)
PO4  A 273 (-2.3A)
PO4  A 273 (-3.5A)
None
PO4  A 273 (-4.0A)
 0.86A 1yajC-2qruA:
14.7		 1yajC-2qruA:
19.09
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.
2qw8 EUGENOL SYNTHASE 1

(Ocimum
basilicum) 		PF05368
(NmrA) 		5 GLY A  14
GLY A  15
GLY A  20
ALA A  82
ILE A  10
 NAP  A 401 ( 3.7A)
None
None
NAP  A 401 (-4.8A)
None
 0.93A 1yajC-2qw8A:
undetectable		 1yajC-2qw8A:
20.18
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.
2rkb SERINE
DEHYDRATASE-LIKE

(Homo sapiens) 		PF00291
(PALP) 		5 GLY A 185
GLY A 181
ALA A 184
LEU A 178
ILE A 196
 None
None
None
PLP  A 400 (-4.7A)
None
 0.99A 1yajC-2rkbA:
undetectable		 1yajC-2rkbA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w8q SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00171
(Aldedh) 		5 GLY A 252
GLY A  66
ALA A 104
LEU A  70
ILE A 257
 None
 1.08A 1yajC-2w8qA:
undetectable		 1yajC-2w8qA:
22.51