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.
5KMF_A_6U9A1301_1
(ION TRANSPORT
PROTEIN)		1jxk ALPHA-AMYLASE,
SALIVARY
(Homo
sapiens)		4 / 6GLY A 420
PHE A 421
TYR A 444
ILE A 462
None
0.95A18.18
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.
5KMF_A_6U9A1301_1
(ION TRANSPORT
PROTEIN)		2o8e DNA MISMATCH REPAIR
PROTEIN MSH6
(Homo
sapiens)		4 / 6THR B 407
GLY B 409
TYR B 436
ILE B 425
None
0.89A14.69
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.
5KMF_A_6U9A1301_1
(ION TRANSPORT
PROTEIN)		3oag RENIN
(Homo
sapiens)		4 / 6THR A  32
GLY A  25
GLU A  23
ILE A 102
None
0.86A21.68
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.
5KMF_A_6U9A1301_1
(ION TRANSPORT
PROTEIN)		4owr MRNA EXPORT FACTOR
(Homo
sapiens)		4 / 6THR A 229
GLY A 230
PHE A 231
ILE A 279
None
0.80A21.65
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.
5KMF_A_6U9A1301_1
(ION TRANSPORT
PROTEIN)		5efx RHO GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 2
(Homo
sapiens)		4 / 6GLY A 464
GLU A 467
TYR A 446
ILE A 445
None
0.95A17.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KMF_A_6U9A1301_1
(ION TRANSPORT
PROTEIN)		5ek0 CHIMERA OF BACTERIAL
ION TRANSPORT
PROTEIN AND HUMAN
SODIUM CHANNEL
PROTEIN TYPE 9
SUBUNIT ALPHA
(Arcobacter
butzleri;
Homo
sapiens)		4 / 6THR A1665
GLY A1667
GLU A1668
PHE A1670
PX4  A1802 (-4.2A)
PX4  A1802 (-3.3A)
PX4  A1802 (-3.5A)
PX4  A1802 (-4.4A)
0.87A81.40