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.
2AOT_A_2PMA400_1
(HISTAMINE
N-METHYLTRANSFERASE)		1jqe HISTAMINE
N-METHYLTRANSFERASE
(Homo
sapiens)		8 / 10GLN A 143
TYR A 146
TYR A 147
VAL A 173
TRP A 179
TRP A 183
TYR A 198
PHE A 243
None
QUN  A 500 (-3.3A)
QUN  A 500 ( 3.6A)
None
QUN  A 500 (-3.6A)
QUN  A 500 (-4.9A)
None
QUN  A 500 (-4.1A)
0.48A99.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AOT_A_2PMA400_1
(HISTAMINE
N-METHYLTRANSFERASE)		1jqe HISTAMINE
N-METHYLTRANSFERASE
(Homo
sapiens)		5 / 10TYR A 146
TYR A 147
VAL A 173
TRP A 179
PHE A  22
QUN  A 500 (-3.3A)
QUN  A 500 ( 3.6A)
None
QUN  A 500 (-3.6A)
None
1.29A99.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AOT_B_2PMB401_1
(HISTAMINE
N-METHYLTRANSFERASE)		1jqe HISTAMINE
N-METHYLTRANSFERASE
(Homo
sapiens)		9 / 12PHE A  22
GLN A 143
TYR A 146
TYR A 147
TRP A 179
TRP A 183
CYH A 196
TYR A 198
PHE A 243
None
None
QUN  A 500 (-3.3A)
QUN  A 500 ( 3.6A)
QUN  A 500 (-3.6A)
QUN  A 500 (-4.9A)
QUN  A 500 (-3.6A)
None
QUN  A 500 (-4.1A)
0.60A99.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AOT_B_2PMB401_1
(HISTAMINE
N-METHYLTRANSFERASE)		1jqe HISTAMINE
N-METHYLTRANSFERASE
(Homo
sapiens)		8 / 12PHE A  22
TYR A 146
TYR A 147
TRP A 183
CYH A 196
TYR A 198
PHE A 243
GLU A 246
None
QUN  A 500 (-3.3A)
QUN  A 500 ( 3.6A)
QUN  A 500 (-4.9A)
QUN  A 500 (-3.6A)
None
QUN  A 500 (-4.1A)
QUN  A 500 (-3.9A)
0.84A99.66
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.
2AOT_B_2PMB401_1
(HISTAMINE
N-METHYLTRANSFERASE)		4g34 EUKARYOTIC
TRANSLATION
INITIATION FACTOR
2-ALPHA KINASE 3
(Homo
sapiens)		5 / 12PHE A1020
TYR A1018
PHE A1038
TYR A 989
GLU A1015
None
1.40A19.58