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
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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		1kfu M-CALPAIN LARGE
SUBUNIT
(Homo
sapiens)		4 / 8SER L 236
ARG L 500
PHE L 502
GLU L 339
None
0.98A21.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE
(Homo
sapiens)		5 / 8SER A 102
VAL A 104
ARG A 365
ALA A 446
TRP A 447
None
MPD  A 605 (-4.7A)
MPD  A 605 ( 4.7A)
MPD  A 605 (-3.5A)
MPD  A 605 ( 4.0A)
0.35A95.17
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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		2d9j REGULATOR OF
G-PROTEIN SIGNALLING
7
(Homo
sapiens)		5 / 8VAL A  27
ALA A  22
TRP A  15
PHE A 123
GLU A  30
None
1.38A17.60
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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		2hpa PROTEIN (ACID
PHOSPHATASE)
(Homo
sapiens)		4 / 8SER A1193
ALA A1195
TRP A1194
PHE A1021
None
1.09A20.88
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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		2wim NEURAL CELL ADHESION
MOLECULE 2
(Homo
sapiens)		4 / 8VAL A 205
ARG A 162
ALA A 132
GLU A 181
None
1.02A20.13
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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		2yd7 PTPRD PROTEIN
(Homo
sapiens)		4 / 8VAL A 115
ARG A  68
ALA A  41
GLU A  93
None
None
None
PO4  A1221 (-4.2A)
1.08A18.88
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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		3fku NEUTRALIZING
ANTIBODY F10
(Homo
sapiens)		4 / 8VAL X 248
ARG X 201
ALA X 157
GLU X 223
None
0.99A20.00
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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		3go1 FAB 268-D, LIGHT
CHAIN
(Homo
sapiens)		4 / 8VAL L 106
ARG L  61
ALA L  19
GLU L  83
None
SO4  L 210 (-4.0A)
None
None
0.92A18.59
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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		3mlu HUMAN MONOCLONAL
ANTI-HIV-1 GP120 V3
ANTIBODY 2557 FAB
LIGHT CHAIN
(Homo
sapiens)		4 / 8VAL L 109
ARG L  61
ALA L  19
GLU L  83
None
0.93A20.00
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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		4h5s CELL ADHESION
MOLECULE 1
(Homo
sapiens)		4 / 8VAL B  96
ARG B  52
ALA B  16
GLU B  75
None
1.04A13.98
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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		4hk0 UCA LIGHT CHAIN
(Homo
sapiens)		4 / 8VAL B 107
ARG B  60
ALA B  18
GLU B  82
None
0.94A20.41
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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		4iml CROSSED LIGHT CHAIN
(VL-CH1)
(Homo
sapiens)		4 / 8VAL L 107
ARG L  60
ALA L  18
GLU L  82
None
0.88A17.00
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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		4jy4 PGT121 LIGHT CHAIN
(Homo
sapiens)		4 / 8VAL A 106
ARG A  61
ALA A  19
GLU A  83
None
None
None
GOL  A 301 (-3.9A)
0.91A20.18
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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		4z0x ANTIBODY HC26AM
LIGHT CHAIN VARIABLE
DOMAIN
(Homo
sapiens)		4 / 8VAL A 105
ARG A  60
ALA A  18
GLU A  82
None
1.11A15.09
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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		5feb SODIUM CHANNEL
SUBUNIT BETA-2
(Homo
sapiens)		4 / 8VAL A 146
ARG A  98
ALA A  46
GLU A 122
None
1.07A13.53
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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		5j13 ANTI-TSLP
FAB-FRAGMENT, LIGHT
CHAIN
(Homo
sapiens)		4 / 8VAL B 110
ARG B  63
ALA B  21
GLU B  85
None
None
None
SO4  B 301 (-3.2A)
0.99A19.27
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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		5m8t 5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE
(Homo
sapiens)		4 / 8ARG A 225
TRP A 414
PHE A 411
GLU A 413
None
1.09A21.55
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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		5uv6 OPIOID-BINDING
PROTEIN/CELL
ADHESION MOLECULE
(Homo
sapiens)		4 / 8VAL A 132
ARG A  87
ALA A  53
GLU A 110
None
NAG  A1001 ( 4.1A)
None
None
1.05A10.73
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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		5vxc CITRATE LYASE
SUBUNIT BETA-LIKE
PROTEIN,
MITOCHONDRIAL
(Homo
sapiens)		4 / 8SER A 140
VAL A 138
ALA A 181
GLU A 143
None
0.97A20.17
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.
1DMI_B_BHSB2610_1
(NITRIC OXIDE
SYNTHASE)		2d9j REGULATOR OF
G-PROTEIN SIGNALLING
7
(Homo
sapiens)		4 / 6PHE A 123
GLU A  30
VAL A  27
TRP A  15
None
1.42A17.60
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.
1DMI_B_BHSB2610_1
(NITRIC OXIDE
SYNTHASE)		4o6x ANKYRIN-3
(Homo
sapiens)		4 / 6PHE A  28
GLU A  25
VAL A  71
ARG A  58
None
1.18A13.51
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.
1DMI_B_BHSB2610_1
(NITRIC OXIDE
SYNTHASE)		5lsk CENTROMERE PROTEIN C
KINETOCHORE-ASSOCIAT
ED PROTEIN NSL1
HOMOLOG
(Homo
sapiens)		4 / 6PHE N 115
GLU N 117
VAL N 120
ARG P  16
None
1.09A19.05
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.
1DMI_B_BHSB2610_1
(NITRIC OXIDE
SYNTHASE)		5m8t 5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE
(Homo
sapiens)		4 / 6TRP A 414
PHE A 411
GLU A 413
ARG A 225
None
1.02A21.55