SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2j6l'

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.
1C4D_C_DVAC6_0
(GRAMICIDIN A)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		3 / 3 ALA A 181
VAL A 187
TRP A  72
 None
 0.84A 1c4dC-2j6lA:
undetectable
1c4dD-2j6lA:
undetectable		 1c4dC-2j6lA:
3.50
1c4dD-2j6lA:
3.50
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.
1C4D_D_DVAD6_0
(GRAMICIDIN A)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		3 / 3 TRP A  72
ALA A 181
VAL A 187
 None
 0.90A 1c4dC-2j6lA:
undetectable
1c4dD-2j6lA:
undetectable		 1c4dC-2j6lA:
3.50
1c4dD-2j6lA:
3.50
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.
1GMK_D_DVAD8_0
(GRAMICIDIN A)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		3 / 3 TRP A  75
VAL A 161
TRP A  72
 None
 1.49A 1gmkC-2j6lA:
undetectable
1gmkD-2j6lA:
undetectable		 1gmkC-2j6lA:
3.50
1gmkD-2j6lA:
3.50
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.
1K6C_B_MK1B902_2
(POL POLYPROTEIN)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		5 / 12 GLY A 231
VAL A 259
GLY A 162
ILE A 163
VAL A 255
 NAI  A1501 (-3.4A)
None
None
None
None
 0.89A 1k6cB-2j6lA:
undetectable		 1k6cB-2j6lA:
11.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LH6_A_NIOA155_1
(LEGHEMOGLOBIN A
(NICOTINATE MET))		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		4 / 7 PHE A 310
PHE A 409
HIS A 392
VAL A 424
 None
 1.02A 1lh6A-2j6lA:
undetectable		 1lh6A-2j6lA:
15.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MRG_A_ADNA300_1
(ALPHA-MOMORCHARIN)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		5 / 9 TYR A 129
ILE A 126
GLY A 482
ILE A 180
ALA A 179
 None
 1.27A 1mrgA-2j6lA:
undetectable		 1mrgA-2j6lA:
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.
1TV8_A_SAMA1501_0
(MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		4 / 7 TYR A 489
THR A 165
VAL A 161
MET A 182
 None
 1.13A 1tv8A-2j6lA:
undetectable		 1tv8A-2j6lA:
19.80
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.
1VE3_A_SAMA302_0
(HYPOTHETICAL PROTEIN
PH0226)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		5 / 12 ALA A 394
ALA A 397
ARG A 308
HIS A 392
PHE A 409
 None
 1.07A 1ve3A-2j6lA:
4.4		 1ve3A-2j6lA:
19.00
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.
1VE3_B_SAMB301_0
(HYPOTHETICAL PROTEIN
PH0226)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		5 / 12 ALA A 394
ALA A 397
ARG A 308
HIS A 392
PHE A 409
 None
 1.07A 1ve3B-2j6lA:
4.5		 1ve3B-2j6lA:
19.00
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.
1XOZ_A_CIAA501_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		5 / 12 ALA A 130
ILE A 126
ILE A 183
LEU A 267
ILE A 163
 None
 1.08A 1xozA-2j6lA:
undetectable		 1xozA-2j6lA:
20.50
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.
2FB2_A_SAMA501_0
(MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		4 / 8 TYR A 489
THR A 165
VAL A 161
MET A 182
 None
 1.13A 2fb2A-2j6lA:
undetectable		 2fb2A-2j6lA:
19.80
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.
2FB2_B_SAMB501_0
(MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		4 / 7 TYR A 489
THR A 165
VAL A 161
MET A 182
 None
 1.13A 2fb2B-2j6lA:
undetectable		 2fb2B-2j6lA:
19.80
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.
2NMY_A_ROCA401_2
(PROTEASE)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		5 / 12 LEU A 309
ALA A 294
ILE A 458
ALA A 278
ILE A 276
 None
 0.90A 2nmyB-2j6lA:
undetectable		 2nmyB-2j6lA:
11.02
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.
2NNP_A_ROCA401_2
(PROTEASE)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		5 / 11 LEU A 242
ILE A 220
ILE A 183
PRO A 157
VAL A 158
 None
 1.05A 2nnpB-2j6lA:
undetectable		 2nnpB-2j6lA:
11.40
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.
2R5Q_B_1UNB900_1
(PROTEASE)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		5 / 9 LEU A 242
ILE A 220
ILE A 183
PRO A 157
VAL A 158
 None
 1.14A 2r5qA-2j6lA:
undetectable		 2r5qA-2j6lA:
12.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2R5Q_D_1UND900_1
(PROTEASE)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		5 / 9 LEU A 242
ILE A 220
ILE A 183
PRO A 157
VAL A 158
 None
 1.14A 2r5qC-2j6lA:
undetectable		 2r5qC-2j6lA:
12.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_A_ACRA5044_2
(GLUCOSYLTRANSFERASE-
SI)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		3 / 3 LEU A 133
TRP A 176
TYR A 489
 None
 0.98A 3aicA-2j6lA:
undetectable		 3aicA-2j6lA:
20.17
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.
3AIC_F_ACRF5044_2
(GLUCOSYLTRANSFERASE-
SI)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		3 / 3 LEU A 133
TRP A 176
TYR A 489
 None
 1.00A 3aicF-2j6lA:
undetectable		 3aicF-2j6lA:
20.17
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.
3AIC_G_ACRG5044_2
(GLUCOSYLTRANSFERASE-
SI)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		3 / 3 LEU A 133
TRP A 176
TYR A 489
 None
 0.93A 3aicG-2j6lA:
undetectable		 3aicG-2j6lA:
20.17
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.
3ARU_A_PNXA607_1
(CHITINASE A)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		4 / 8 VAL A 369
GLY A 389
THR A 388
GLY A 365
 None
 0.67A 3aruA-2j6lA:
undetectable		 3aruA-2j6lA:
21.57
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.
3EL5_B_1UNB201_2
(PROTEASE)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		5 / 12 GLY A 231
VAL A 259
GLY A 162
ILE A 163
VAL A 255
 NAI  A1501 (-3.4A)
None
None
None
None
 0.77A 3el5B-2j6lA:
undetectable		 3el5B-2j6lA:
11.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GAL_B_1GNB999_1
(GALECTIN-7)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		4 / 6 ASN A  24
ARG A  21
TRP A  32
GLU A  25
 None
 1.45A 3galB-2j6lA:
undetectable		 3galB-2j6lA:
16.33
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.
3GGU_B_017B201_1
(PROTEASE)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		5 / 12 GLY A 231
VAL A 259
GLY A 162
ILE A 163
VAL A 255
 NAI  A1501 (-3.4A)
None
None
None
None
 0.92A 3gguA-2j6lA:
undetectable		 3gguA-2j6lA:
11.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HCR_A_CHDA4_0
(FERROCHELATASE,
MITOCHONDRIAL)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		3 / 3 LEU A 216
PRO A 217
LEU A 211
 None
 0.47A 3hcrA-2j6lA:
undetectable		 3hcrA-2j6lA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MWS_B_017B201_2
(HIV-1 PROTEASE)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		5 / 12 LEU A 242
ILE A 220
ILE A 183
PRO A 157
VAL A 158
 None
 1.15A 3mwsB-2j6lA:
undetectable		 3mwsB-2j6lA:
12.63
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.
3NU9_A_478A401_2
(PROTEASE)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		5 / 10 GLY A 231
VAL A 259
GLY A 162
ILE A 163
VAL A 255
 NAI  A1501 (-3.4A)
None
None
None
None
 0.78A 3nu9B-2j6lA:
undetectable		 3nu9B-2j6lA:
11.40
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.
3NVK_I_SAMI228_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		5 / 12 ALA A 208
THR A 204
ILE A 220
ALA A  71
GLU A  25
 None
 1.06A 3nvkI-2j6lA:
3.8		 3nvkI-2j6lA:
19.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UQ6_B_ADNB401_1
(ADENOSINE KINASE,
PUTATIVE)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		5 / 12 ASN A  24
LEU A 104
GLY A  26
LEU A  20
GLY A 226
 None
 1.13A 3uq6B-2j6lA:
3.2		 3uq6B-2j6lA:
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.
4A99_D_MIYD393_1
(TETX2 PROTEIN)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		4 / 5 ILE A  90
ILE A 126
TYR A 123
GLU A 122
 None
 1.21A 4a99D-2j6lA:
1.6		 4a99D-2j6lA:
20.95
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.
4E7C_D_ACTD504_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		3 / 3 GLY A 102
SER A 103
TRP A  14
 None
 0.99A 4e7cD-2j6lA:
0.7		 4e7cD-2j6lA:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HB6_A_DXCA75_0
(PPCA)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		4 / 8 ILE A 386
ILE A 311
PHE A 409
GLY A 391
 None
 0.79A 4hb6A-2j6lA:
undetectable		 4hb6A-2j6lA:
9.79
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.
4HDL_A_DXCA75_0
(PPCA)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		4 / 8 ILE A 386
ILE A 311
PHE A 409
GLY A 391
 None
 0.73A 4hdlA-2j6lA:
undetectable		 4hdlA-2j6lA:
10.02
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.
4HLW_A_TESA1001_1
(ANDROGEN RECEPTOR)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		5 / 12 ASN A 177
GLY A 162
MET A 234
ARG A 262
THR A 165
 None
 1.41A 4hlwA-2j6lA:
undetectable		 4hlwA-2j6lA:
19.02
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.
4KLR_A_CHDA505_0
(FERROCHELATASE,
MITOCHONDRIAL)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		4 / 5 LEU A 216
PRO A 217
LEU A 211
ILE A  86
 None
 0.91A 4klrA-2j6lA:
2.0		 4klrA-2j6lA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OLT_B_GCSB301_1
(CHITOSANASE)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		3 / 3 GLY A 343
PRO A 344
GLN A 301
 None
 0.46A 4oltB-2j6lA:
undetectable		 4oltB-2j6lA:
19.69
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.
4QWP_B_GCSB305_1
(CHITOSANASE)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		3 / 3 GLY A 343
PRO A 344
GLN A 301
 None
 0.34A 4qwpB-2j6lA:
undetectable		 4qwpB-2j6lA:
18.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BTA_G_MFXG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		4 / 7 SER A 431
GLY A 471
THR A 246
GLU A 269
 None
None
NAI  A1501 (-4.2A)
NAI  A1501 (-4.0A)
 0.98A 5btaA-2j6lA:
undetectable
5btaC-2j6lA:
undetectable
5btaD-2j6lA:
2.1		 5btaA-2j6lA:
22.97
5btaC-2j6lA:
22.97
5btaD-2j6lA:
19.76
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.
5BTA_H_MFXH101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		4 / 6 SER A 431
GLY A 471
THR A 246
GLU A 269
 None
None
NAI  A1501 (-4.2A)
NAI  A1501 (-4.0A)
 0.99A 5btaA-2j6lA:
undetectable
5btaB-2j6lA:
undetectable
5btaC-2j6lA:
undetectable		 5btaA-2j6lA:
22.97
5btaB-2j6lA:
19.76
5btaC-2j6lA:
22.97
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.
5BTC_G_CPFG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		4 / 6 SER A 431
GLY A 471
THR A 246
GLU A 269
 None
None
NAI  A1501 (-4.2A)
NAI  A1501 (-4.0A)
 0.94A 5btcA-2j6lA:
undetectable
5btcC-2j6lA:
undetectable
5btcD-2j6lA:
2.1		 5btcA-2j6lA:
22.97
5btcC-2j6lA:
22.97
5btcD-2j6lA:
19.76
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.
5BTC_G_CPFG102_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		4 / 6 SER A 431
GLY A 471
THR A 246
GLU A 269
 None
None
NAI  A1501 (-4.2A)
NAI  A1501 (-4.0A)
 0.95A 5btcA-2j6lA:
undetectable
5btcB-2j6lA:
1.6
5btcC-2j6lA:
undetectable		 5btcA-2j6lA:
22.97
5btcB-2j6lA:
19.76
5btcC-2j6lA:
22.97
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.
5BTF_F_GFNF101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		4 / 7 SER A 431
GLY A 471
THR A 246
GLU A 269
 None
None
NAI  A1501 (-4.2A)
NAI  A1501 (-4.0A)
 0.95A 5btfA-2j6lA:
undetectable
5btfB-2j6lA:
undetectable
5btfC-2j6lA:
undetectable		 5btfA-2j6lA:
22.97
5btfB-2j6lA:
19.76
5btfC-2j6lA:
22.97
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.
5BTF_G_GFNG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		4 / 7 SER A 431
GLY A 471
THR A 246
GLU A 269
 None
None
NAI  A1501 (-4.2A)
NAI  A1501 (-4.0A)
 0.94A 5btfA-2j6lA:
undetectable
5btfC-2j6lA:
undetectable
5btfD-2j6lA:
undetectable		 5btfA-2j6lA:
22.97
5btfC-2j6lA:
22.97
5btfD-2j6lA:
19.76
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.
5BTI_E_LFXE101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		4 / 5 SER A 431
GLY A 471
THR A 246
GLU A 269
 None
None
NAI  A1501 (-4.2A)
NAI  A1501 (-4.0A)
 0.99A 5btiA-2j6lA:
undetectable
5btiB-2j6lA:
undetectable		 5btiA-2j6lA:
22.97
5btiB-2j6lA:
19.76
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.
5BTI_F_LFXF101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		4 / 5 SER A 431
GLY A 471
THR A 246
GLU A 269
 None
None
NAI  A1501 (-4.2A)
NAI  A1501 (-4.0A)
 0.98A 5btiC-2j6lA:
undetectable
5btiD-2j6lA:
2.5		 5btiC-2j6lA:
22.97
5btiD-2j6lA:
19.76
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.
5DPD_B_SAMB601_0
(PROTEIN LYSINE
METHYLTRANSFERASE 1)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		5 / 12 TYR A  61
GLY A 162
LEU A 267
SER A 266
VAL A 173
 None
 1.12A 5dpdB-2j6lA:
3.5		 5dpdB-2j6lA:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5G5G_C_ACTC1740_0
(PUTATIVE XANTHINE
DEHYDROGENASE YAGS
FAD-BINDING SUBUNIT)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		4 / 4 VAL A 120
GLU A 119
GLY A 102
LEU A 101
 None
 0.86A 5g5gC-2j6lA:
undetectable		 5g5gC-2j6lA:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I75_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		5 / 12 ILE A 164
GLY A 162
LEU A 189
GLY A 252
VAL A 255
 NAI  A1501 (-4.4A)
None
None
None
None
 1.22A 5i75A-2j6lA:
undetectable		 5i75A-2j6lA:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JLC_A_1YNA602_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		4 / 5 GLY A 231
THR A 232
GLY A 482
LEU A 242
 NAI  A1501 (-3.4A)
NAI  A1501 (-4.3A)
None
None
 0.85A 5jlcA-2j6lA:
undetectable		 5jlcA-2j6lA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LSU_B_SAMB1304_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
NSD2)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		3 / 3 ASN A 177
TYR A 489
CYH A 188
 None
 0.93A 5lsuB-2j6lA:
undetectable		 5lsuB-2j6lA:
19.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VCE_A_RITA602_1
(CYTOCHROME P450 3A4)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		5 / 12 PHE A 402
ALA A 193
THR A 196
ILE A 199
GLU A 122
 NAI  A1501 (-3.9A)
NAI  A1501 (-4.3A)
None
None
None
 1.12A 5vceA-2j6lA:
undetectable		 5vceA-2j6lA:
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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		3 / 3 ALA A  93
VAL A 171
TYR A 123
 None
 0.67A 5zmqH-2j6lA:
undetectable		 5zmqH-2j6lA:
16.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BKL_G_EU7G101_0
(MATRIX PROTEIN 2)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		5 / 9 ALA A 233
GLY A 231
ALA A  56
GLY A 226
SER A  57
 None
NAI  A1501 (-3.4A)
None
None
None
 1.19A 6bklE-2j6lA:
undetectable
6bklF-2j6lA:
undetectable
6bklG-2j6lA:
undetectable
6bklH-2j6lA:
undetectable		 6bklE-2j6lA:
6.17
6bklF-2j6lA:
6.17
6bklG-2j6lA:
6.17
6bklH-2j6lA:
6.17
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.
6DH0_A_017A101_0
(PROTEASE)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		5 / 12 GLY A 231
VAL A 259
GLY A 162
ILE A 163
VAL A 255
 NAI  A1501 (-3.4A)
None
None
None
None
 0.94A 6dh0A-2j6lA:
undetectable		 6dh0A-2j6lA:
11.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DH0_A_017A101_1
(PROTEASE)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		5 / 12 GLY A 231
VAL A 259
GLY A 162
ILE A 163
VAL A 255
 NAI  A1501 (-3.4A)
None
None
None
None
 0.91A 6dh0B-2j6lA:
undetectable		 6dh0B-2j6lA:
11.43