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.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		2jjz IONIZED
CALCIUM-BINDING
ADAPTER MOLECULE 2
(Homo
sapiens)		5 / 10LEU B  72
MET B  91
VAL B  95
ILE B 103
MET B 112
None
0.53A19.75
21.28
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.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		2n6a HUMAN
CALMODULIN/CONNEXIN-
36 PEPTIDE HYBRID
(Homo
sapiens)		5 / 10ALA A 168
MET A  51
GLU A  54
VAL A  55
ILE A  63
None
0.97A18.82
83.24
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.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		2n6a HUMAN
CALMODULIN/CONNEXIN-
36 PEPTIDE HYBRID
(Homo
sapiens)		5 / 10LEU A  32
MET A  51
GLU A  54
VAL A  55
ILE A  63
None
1.12A18.82
83.24
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.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		3hhd FATTY ACID SYNTHASE
(Homo
sapiens)		5 / 10ALA A   7
LEU A 232
VAL A 231
VAL A   4
ILE A 175
None
1.13A7.45
10.43
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.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		3max HISTONE DEACETYLASE
2
(Homo
sapiens)		5 / 10ALA A 324
LEU A 325
LEU A  52
GLU A 320
ILE A 329
None
1.09A12.79
16.92
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.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		3u9w LEUKOTRIENE A-4
HYDROLASE
(Homo
sapiens)		5 / 10ALA A1038
LEU A1040
LEU A1054
VAL A1064
ILE A1088
None
0.99A9.76
13.25
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.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		3u9w LEUKOTRIENE A-4
HYDROLASE
(Homo
sapiens)		5 / 10LEU A1040
VAL A1101
LEU A1054
VAL A1064
ILE A1088
None
1.09A9.76
13.25
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.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		4bgj SORTING NEXIN-14
(Homo
sapiens)		5 / 10ALA A 627
LEU A 626
LEU A 615
VAL A 543
ILE A 514
None
1.06A20.14
16.77
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.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		4gow CALMODULIN
(Homo
sapiens)		6 / 10LEU D  32
MET D  51
GLU D  54
VAL D  55
ILE D  63
MET D  72
LEU  D  32 ( 0.6A)
MET  D  51 ( 0.0A)
GLU  D  54 ( 0.5A)
VAL  D  55 ( 0.6A)
ILE  D  63 ( 0.7A)
MET  D  72 ( 0.0A)
0.71A19.86
100.00
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.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		4pqo SORTING NEXIN-14
(Homo
sapiens)		5 / 10ALA A 680
LEU A 679
LEU A 668
VAL A 593
ILE A 567
None
1.06A19.23
16.88
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.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		4q57 CALMODULIN
(Homo
sapiens)		5 / 10LEU A  32
MET A  51
GLU A  54
VAL A  55
MET A  72
None
1.12A17.65
100.00
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.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		4uuu CYSTATHIONINE
BETA-SYNTHASE
(Homo
sapiens)		5 / 10ALA A 446
VAL A 459
LEU A 510
VAL A 449
ILE A 455
SAM  A1546 ( 3.7A)
None
None
None
None
1.11A19.50
20.96
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.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		5h64 SERINE/THREONINE-PRO
TEIN KINASE MTOR
(Homo
sapiens)		5 / 10ALA A1459
LEU A1460
VAL A1461
LEU A1487
GLU A1455
None
1.11A3.63
4.98
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.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		5ihl 3H56-5 DOMAIN
ANTIBODY (DAB)
(Homo
sapiens)		5 / 10ALA B  93
VAL B  37
LEU B  78
MET B  34
ILE B  69
ALA  B  93 ( 0.0A)
VAL  B  37 ( 0.6A)
LEU  B  78 ( 0.6A)
MET  B  34 ( 0.0A)
ILE  B  69 ( 0.7A)
1.13A15.45
20.39