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.
1TD7_A_NFLA2001_1
(PHOSPHOLIPASE A2
ISOFORM 3)		4po6 NON-RECEPTOR
TYROSINE-PROTEIN
KINASE TYK2
(Homo
sapiens)		5 / 9LEU A 419
ILE A 395
PHE A 377
GLY A 323
TYR A 423
None
1.39A12.07
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.
1TD7_A_NFLA2001_1
(PHOSPHOLIPASE A2
ISOFORM 3)		6fkq NETRIN-1
(Homo
sapiens)		5 / 9LEU A 136
ILE A 161
PHE A 220
GLY A 282
PHE A 174
None
1.37A20.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2WM3_A_NFLA1300_1
(NMRA-LIKE FAMILY
DOMAIN CONTAINING
PROTEIN 1)		3e5m NMRA-LIKE FAMILY
DOMAIN-CONTAINING
PROTEIN 1
(Homo
sapiens)		7 / 11CYH A 154
ASN A 158
HIS A 162
PHE A 163
TYR A 246
LEU A 257
TYR A 264
None
0.82A99.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2WM3_A_NFLA1300_1
(NMRA-LIKE FAMILY
DOMAIN CONTAINING
PROTEIN 1)		3e5m NMRA-LIKE FAMILY
DOMAIN-CONTAINING
PROTEIN 1
(Homo
sapiens)		7 / 11LEU A 114
CYH A 154
ASN A 158
HIS A 162
PHE A 163
LEU A 257
TYR A 264
None
0.67A99.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2WM3_A_NFLA1300_1
(NMRA-LIKE FAMILY
DOMAIN CONTAINING
PROTEIN 1)		3e5m NMRA-LIKE FAMILY
DOMAIN-CONTAINING
PROTEIN 1
(Homo
sapiens)		5 / 11LEU A 114
HIS A 129
CYH A 154
ASN A 158
HIS A 162
None
1.48A99.66
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.
2WM3_A_NFLA1301_1
(NMRA-LIKE FAMILY
DOMAIN CONTAINING
PROTEIN 1)		1dxx DYSTROPHIN
(Homo
sapiens)		4 / 6LEU A 108
THR A 107
PHE A  41
ASP A  15
None
1.11A21.45
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.
2WM3_A_NFLA1301_1
(NMRA-LIKE FAMILY
DOMAIN CONTAINING
PROTEIN 1)		2byf PHOSPHOLIPASE C,
EPSILON 1
(Homo
sapiens)		4 / 6LEU A  39
THR A  38
LEU A  59
ASP A  56
None
0.95A15.96
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.
2WM3_A_NFLA1301_1
(NMRA-LIKE FAMILY
DOMAIN CONTAINING
PROTEIN 1)		2vfk AKAP18 DELTA
(Homo
sapiens)		4 / 6LEU A 267
PHE A 208
LEU A 156
ASP A 151
None
0.99A20.93
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.
2WM3_A_NFLA1301_1
(NMRA-LIKE FAMILY
DOMAIN CONTAINING
PROTEIN 1)		2ydl SH3
DOMAIN-CONTAINING
KINASE-BINDING
PROTEIN 1
(Homo
sapiens)		4 / 6LEU A 296
THR A 295
LEU A 286
ASP A 320
None
1.10A12.12
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.
2WM3_A_NFLA1301_1
(NMRA-LIKE FAMILY
DOMAIN CONTAINING
PROTEIN 1)		3cem GLYCOGEN
PHOSPHORYLASE, LIVER
FORM
(Homo
sapiens)		4 / 6LEU A 117
PHE A  31
LEU A  55
ASP A  50
None
0.66A18.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2WM3_A_NFLA1301_1
(NMRA-LIKE FAMILY
DOMAIN CONTAINING
PROTEIN 1)		3e5m NMRA-LIKE FAMILY
DOMAIN-CONTAINING
PROTEIN 1
(Homo
sapiens)		6 / 6LEU A 120
THR A 121
ARG A 151
PHE A 263
LEU A 266
ASP A 269
None
0.83A99.66
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.
2WM3_A_NFLA1301_1
(NMRA-LIKE FAMILY
DOMAIN CONTAINING
PROTEIN 1)		3j4r A-KINASE ANCHOR
PROTEIN 18
(Homo
sapiens)		4 / 6LEU A 267
PHE A 208
LEU A 156
ASP A 151
None
1.01A24.30
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.
2WM3_A_NFLA1301_1
(NMRA-LIKE FAMILY
DOMAIN CONTAINING
PROTEIN 1)		3jbz SERINE/THREONINE-PRO
TEIN KINASE MTOR
(Homo
sapiens)		4 / 6LEU A2208
THR A2207
LEU A1900
ASP A2412
None
1.07A14.08
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.
2WM3_A_NFLA1301_1
(NMRA-LIKE FAMILY
DOMAIN CONTAINING
PROTEIN 1)		3qyb TBC1 DOMAIN FAMILY
MEMBER 4
(Homo
sapiens)		4 / 6LEU A 956
PHE A1029
LEU A 995
ASP A1003
None
0.94A21.88
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.
2WM3_A_NFLA1301_1
(NMRA-LIKE FAMILY
DOMAIN CONTAINING
PROTEIN 1)		3t2n SERINE PROTEASE
HEPSIN
(Homo
sapiens)		4 / 6LEU A 269
THR A 270
LEU A 230
ASP A 196
None
1.04A20.42
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.
2WM3_A_NFLA1301_1
(NMRA-LIKE FAMILY
DOMAIN CONTAINING
PROTEIN 1)		4bgq CYCLIN-DEPENDENT
KINASE-LIKE 5
(Homo
sapiens)		4 / 6LEU A 287
THR A 288
LEU A 277
ASP A 284
None
1.09A23.71
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.
2WM3_A_NFLA1301_1
(NMRA-LIKE FAMILY
DOMAIN CONTAINING
PROTEIN 1)		4ddi UBIQUITIN-CONJUGATIN
G ENZYME E2 D2,
UBIQUITIN
THIOESTERASE OTUB1
(Homo
sapiens)		4 / 6LEU A1171
THR A1167
PHE A1162
LEU A1047
None
1.07A20.19
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.
2WM3_A_NFLA1301_1
(NMRA-LIKE FAMILY
DOMAIN CONTAINING
PROTEIN 1)		4jlr MOTAVIZUMAB FAB
HEAVY CHAIN
(Homo
sapiens)		4 / 6LEU H   4
THR H   3
PHE H  27
ASP H  95
None
1.11A20.33
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.
2WM3_A_NFLA1301_1
(NMRA-LIKE FAMILY
DOMAIN CONTAINING
PROTEIN 1)		4n78 CYTOPLASMIC
FMR1-INTERACTING
PROTEIN 1
WISKOTT-ALDRICH
SYNDROME PROTEIN
FAMILY MEMBER 1
(Homo
sapiens)		4 / 6LEU D 111
PHE A 699
LEU A 757
ASP A 763
None
1.14A19.54
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.
2WM3_A_NFLA1301_1
(NMRA-LIKE FAMILY
DOMAIN CONTAINING
PROTEIN 1)		4xef PROTEIN-TYROSINE
KINASE 2-BETA
(Homo
sapiens)		4 / 6LEU A 887
THR A 916
LEU A 950
ASP A 986
None
1.09A19.01
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.
2WM3_A_NFLA1301_1
(NMRA-LIKE FAMILY
DOMAIN CONTAINING
PROTEIN 1)		5ikp GLYCOGEN
PHOSPHORYLASE, BRAIN
FORM
(Homo
sapiens)		4 / 6LEU A 117
PHE A  31
LEU A  55
ASP A  50
None
0.80A17.56
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.
2WM3_A_NFLA1301_1
(NMRA-LIKE FAMILY
DOMAIN CONTAINING
PROTEIN 1)		5kkr KINASE SUPPRESSOR OF
RAS 2
(Homo
sapiens)		4 / 6LEU B 758
THR B 763
LEU B 747
ASP B 753
None
1.11A22.28
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.
2WM3_A_NFLA1301_1
(NMRA-LIKE FAMILY
DOMAIN CONTAINING
PROTEIN 1)		5t89 VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 1
(Homo
sapiens)		4 / 6THR X 643
ARG X 637
LEU X 583
ASP X 586
None
0.95A17.36
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.
2WM3_A_NFLA1301_1
(NMRA-LIKE FAMILY
DOMAIN CONTAINING
PROTEIN 1)		5u9b MUSCLEBLIND-LIKE
PROTEIN 1
(Homo
sapiens)		4 / 6LEU A  14
THR A  15
LEU A  69
ASP A  55
 C  B 101 ( 4.0A)
None
None
C  B 101 ( 3.4A)
1.09A15.72