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.
1TH6_A_OINA401_1
(PHOSPHOLIPASE A2)		2ask ARTEMIN
(Homo
sapiens)		4 / 7GLY A 113
HIS A  54
ASP A  55
PRO A  75
None
1.14A16.53
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.
1TH6_A_OINA401_1
(PHOSPHOLIPASE A2)		2c0y PROCATHEPSIN S
(Homo
sapiens)		4 / 7GLY A  61
HIS A  47
ASP A  59
TYR A  58
None
1.16A17.70
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.
1TH6_A_OINA401_1
(PHOSPHOLIPASE A2)		3d8d AMYLOID BETA A4
PRECURSOR
PROTEIN-BINDING
FAMILY B MEMBER 1
(Homo
sapiens)		4 / 7GLY A 414
TRP A 416
HIS A 409
ASP A 410
None
1.14A22.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TH6_A_OINA401_1
(PHOSPHOLIPASE A2)		5wzm GROUP IIE SECRETORY
PHOSPHOLIPASE A2
(Homo
sapiens)		6 / 7GLY A  28
HIS A  46
ASP A  47
TYR A  50
PRO A  60
LYS A  61
 CA  A 210 (-4.3A)
None
CA  A 210 (-2.2A)
None
CL  A 201 (-3.7A)
CL  A 201 (-4.0A)
1.05A34.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TH6_A_OINA401_1
(PHOSPHOLIPASE A2)		5wzm GROUP IIE SECRETORY
PHOSPHOLIPASE A2
(Homo
sapiens)		5 / 7GLY A  30
HIS A  46
TYR A  50
PRO A  60
LYS A  61
 CA  A 210 (-4.2A)
None
None
CL  A 201 (-3.7A)
CL  A 201 (-4.0A)
1.27A34.96
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.
2ARM_A_OINA401_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		1fl5 ANTIBODY GERMLINE
PRECURSOR TO
ANTIBODY 28B4
(Homo
sapiens)		4 / 7GLY H  49
TRP H  36
ASP H  95
TYR H  33
None
None
None
SO4  H 301 (-4.3A)
1.20A16.89
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.
2ARM_A_OINA401_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		2ask ARTEMIN
(Homo
sapiens)		4 / 7GLY A 113
HIS A  54
ASP A  55
PRO A  75
None
1.17A16.53
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.
2ARM_A_OINA401_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		2c0y PROCATHEPSIN S
(Homo
sapiens)		4 / 7GLY A  61
HIS A  47
ASP A  59
TYR A  58
None
1.16A17.70
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.
2ARM_A_OINA401_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		3d8d AMYLOID BETA A4
PRECURSOR
PROTEIN-BINDING
FAMILY B MEMBER 1
(Homo
sapiens)		4 / 7GLY A 414
TRP A 416
HIS A 409
ASP A 410
None
1.13A22.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ARM_A_OINA401_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		5wzm GROUP IIE SECRETORY
PHOSPHOLIPASE A2
(Homo
sapiens)		6 / 7GLY A  28
HIS A  46
ASP A  47
TYR A  50
PRO A  60
LYS A  61
 CA  A 210 (-4.3A)
None
CA  A 210 (-2.2A)
None
CL  A 201 (-3.7A)
CL  A 201 (-4.0A)
1.05A34.96
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.
2X8O_A_OINA1314_1
(CHOLINE-BINDING
PROTEIN F)		3gef LAMIN-A/C
(Homo
sapiens)		4 / 5LYS A 490
ASP A 461
ARG A 439
GLU A 460
None
1.14A17.74
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.
2X8O_A_OINA1314_1
(CHOLINE-BINDING
PROTEIN F)		3ol2 PLEXIN-B1
(Homo
sapiens)		4 / 5ASP B 359
ARG B 210
TYR B 214
GLU B 213
None
1.09A17.19
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.
2X8O_A_OINA1314_1
(CHOLINE-BINDING
PROTEIN F)		5okl AFAMIN
(Homo
sapiens)		4 / 5LYS A  53
ASP A  54
ARG A  55
GLU A  51
None
1.35A15.14
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.
2X8O_A_OINA1314_1
(CHOLINE-BINDING
PROTEIN F)		5vxc CITRATE LYASE
SUBUNIT BETA-LIKE
PROTEIN,
MITOCHONDRIAL
(Homo
sapiens)		4 / 5LYS A  58
ASP A  55
ARG A  89
GLU A  56
COA  A 401 (-4.3A)
None
None
None
1.44A21.67
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.
3OSH_A_OINA5811_1
(PHOSPHOLIPASE A2
ISOFORM 3)		1xtj PROBABLE
ATP-DEPENDENT RNA
HELICASE P47
(Homo
sapiens)		5 / 9LEU A 104
PHE A 136
ILE A  60
PHE A  47
TYR A 133
None
None
None
ADP  A 550 (-4.9A)
None
1.45A14.75
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.
3OSH_A_OINA5811_1
(PHOSPHOLIPASE A2
ISOFORM 3)		4y85 MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 8
(Homo
sapiens)		5 / 9PHE A 271
ILE A 181
GLY A 240
LYS A 239
HIS A 251
None
1.45A15.66