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.
6MVX_A_K4DA1304_0
(ION TRANSPORT
PROTEIN)
2iwz 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE
(Homo
sapiens)
4 / 6THR A 399
LEU A 400
THR A 442
LEU A 407
None
None
NH4  A1461 (-4.0A)
None
1.18A20.42
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.
6MVX_A_K4DA1304_0
(ION TRANSPORT
PROTEIN)
3avs LYSINE-SPECIFIC
DEMETHYLASE 6A
(Homo
sapiens)
4 / 6THR A1245
LEU A1244
MET A1291
LEU A1119
None
None
EDO  A1512 ( 3.2A)
None
0.86A20.63
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.
6MVX_A_K4DA1304_0
(ION TRANSPORT
PROTEIN)
3c6g CYTOCHROME P450 2R1
(Homo
sapiens)
4 / 6MET A 487
THR A 488
LEU A 489
LEU A 369
VD3  A 701 ( 4.5A)
VD3  A 701 ( 4.6A)
None
None
1.17A21.14
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.
6MVX_A_K4DA1304_0
(ION TRANSPORT
PROTEIN)
3hd6 AMMONIUM TRANSPORTER
RH TYPE C
(Homo
sapiens)
4 / 6THR A 263
LEU A 262
THR A 318
LEU A 257
None
1.11A20.49
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.
6MVX_A_K4DA1304_0
(ION TRANSPORT
PROTEIN)
3naf CALCIUM-ACTIVATED
POTASSIUM CHANNEL
SUBUNIT
ALPHA-1,CALCIUM-ACTI
VATED POTASSIUM
CHANNEL SUBUNIT
ALPHA-1,CALCIUM-ACTI
VATED POTASSIUM
CHANNEL SUBUNIT
ALPHA-1
(Homo
sapiens)
4 / 6THR A 935
LEU A 936
THR A 946
LEU A 580
None
1.13A16.20
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.
6MVX_A_K4DA1304_0
(ION TRANSPORT
PROTEIN)
3p8c NCK-ASSOCIATED
PROTEIN 1
(Homo
sapiens)
4 / 6THR B 783
LEU B 787
THR B 717
LEU B 842
None
1.23A13.66
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.
6MVX_A_K4DA1304_0
(ION TRANSPORT
PROTEIN)
4doh INTERLEUKIN-20
(Homo
sapiens)
4 / 6THR A 118
LEU A 117
THR A  37
LEU A 112
None
1.20A20.49
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.
6MVX_A_K4DA1304_0
(ION TRANSPORT
PROTEIN)
4e74 PLEXIN-A4
(Homo
sapiens)
4 / 6LEU A1584
MET A1563
THR A1571
LEU A1581
None
None
UNX  A1704 ( 4.4A)
None
1.06A14.54
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.
6MVX_A_K4DA1304_0
(ION TRANSPORT
PROTEIN)
4qds NEUROPILIN-2
(Homo
sapiens)
4 / 6THR A 337
LEU A 336
MET A 440
THR A 340
None
1.04A19.40
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.
6MVX_A_K4DA1304_0
(ION TRANSPORT
PROTEIN)
4zg7 ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2
(Homo
sapiens)
4 / 6THR A 851
LEU A 852
THR A 527
LEU A 856
None
1.21A16.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6MVX_A_K4DA1304_0
(ION TRANSPORT
PROTEIN)
5ek0 CHIMERA OF BACTERIAL
ION TRANSPORT
PROTEIN AND HUMAN
SODIUM CHANNEL
PROTEIN TYPE 9
SUBUNIT ALPHA
(Homo
sapiens;
Arcobacter
butzleri)
4 / 6MET A1677
THR A1678
LEU A1679
MET A1712
PX4  A1806 ( 4.3A)
PX4  A1806 ( 4.8A)
None
PX4  A1806 ( 4.6A)
0.66A82.39
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.
6MVX_A_K4DA1304_0
(ION TRANSPORT
PROTEIN)
5fxv HISTONE DEMETHYLASE
UTY
(Homo
sapiens)
4 / 6THR A1192
LEU A1191
MET A1238
LEU A1066
None
1.10A21.46
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.
6MVX_A_K4DA1304_0
(ION TRANSPORT
PROTEIN)
5nug CYTOPLASMIC DYNEIN 1
HEAVY CHAIN 1
(Homo
sapiens)
4 / 6THR A2326
LEU A2324
THR A2281
LEU A2319
None
1.18A4.89
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.
6MVX_A_K4DA1304_0
(ION TRANSPORT
PROTEIN)
6f9n CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
SUBUNIT 1
(Homo
sapiens)
4 / 6THR A 304
LEU A 303
THR A 314
LEU A 322
None
0.98Aundetectable