POTENTIAL TARGETS FROM HUMAN (RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES)
1) User may click on the DrReposER ID (the second column) to get information on the binding sites and drug molecule.
2) Click View (the second last column) to view matched residues and superposition in the NGL viewer (upper right part).
3) User may also click on the Dock (the last column) to get script for molecular docking in UCSF Chimera through AutoDock Vina.

DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Seq.
Identity (%)		 View Dock
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		2iwz 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE
(Homo
sapiens)		10 / 12GLY A 153
ALA A 208
CYH A 209
PHE A 248
HIS A 348
THR A 350
HIS A 385
LEU A 387
GLY A 446
PHE A 447
6NA  A1460 (-3.5A)
6NA  A1460 (-3.4A)
6NA  A1460 (-1.7A)
6NA  A1460 (-4.9A)
None
None
None
6NA  A1460 ( 4.1A)
6NA  A1460 (-3.3A)
6NA  A1460 (-3.7A)
0.30A49.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		2iwz 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE
(Homo
sapiens)		7 / 12GLY A 153
ALA A 208
SER A 244
PHE A 248
THR A 350
LEU A 387
PHE A 447
6NA  A1460 (-3.5A)
6NA  A1460 (-3.4A)
None
6NA  A1460 (-4.9A)
None
6NA  A1460 ( 4.1A)
6NA  A1460 (-3.7A)
0.63A49.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		2iwz 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE
(Homo
sapiens)		7 / 12GLY A 388
ALA A 208
CYH A 209
PHE A 248
LEU A 387
GLY A 446
PHE A 447
None
6NA  A1460 (-3.4A)
6NA  A1460 (-1.7A)
6NA  A1460 (-4.9A)
6NA  A1460 ( 4.1A)
6NA  A1460 (-3.3A)
6NA  A1460 (-3.7A)
1.42A49.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		3hhd FATTY ACID SYNTHASE
(Homo
sapiens)		7 / 12ALA A 160
CYH A 161
PHE A 200
HIS A 293
THR A 295
HIS A 331
GLY A 394
None
0.57A18.79
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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		3hhd FATTY ACID SYNTHASE
(Homo
sapiens)		6 / 12CYH A 161
PHE A 200
HIS A 293
HIS A 331
GLY A 394
PHE A 395
None
1.08A18.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		2iwz 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE
(Homo
sapiens)		9 / 12ALA A 208
CYH A 209
PHE A 248
HIS A 348
THR A 350
HIS A 385
LEU A 387
GLY A 446
PHE A 447
6NA  A1460 (-3.4A)
6NA  A1460 (-1.7A)
6NA  A1460 (-4.9A)
None
None
None
6NA  A1460 ( 4.1A)
6NA  A1460 (-3.3A)
6NA  A1460 (-3.7A)
0.34A49.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		2iwz 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE
(Homo
sapiens)		7 / 12ALA A 208
SER A 244
PHE A 248
THR A 350
HIS A 385
LEU A 387
PHE A 447
6NA  A1460 (-3.4A)
None
6NA  A1460 (-4.9A)
None
None
6NA  A1460 ( 4.1A)
6NA  A1460 (-3.7A)
0.63A49.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		3hhd FATTY ACID SYNTHASE
(Homo
sapiens)		7 / 12ALA A 160
CYH A 161
PHE A 200
HIS A 293
THR A 295
HIS A 331
GLY A 394
None
0.56A18.79
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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		3hhd FATTY ACID SYNTHASE
(Homo
sapiens)		6 / 12CYH A 161
PHE A 200
HIS A 293
HIS A 331
GLY A 394
PHE A 395
None
1.09A18.79
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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		6fm9 UDP-N-ACETYLGLUCOSAM
INE--DOLICHYL-PHOSPH
ATE
N-ACETYLGLUCOSAMINEP
HOSPHOTRANSFERASE
(Homo
sapiens)		5 / 12SER A 202
PHE A 231
THR A  25
GLY A  59
PHE A 257
None
0.94Aundetectable