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.
5NZ0_A_ZLDA301_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR ETHR)
2pxj JMJC
DOMAIN-CONTAINING
HISTONE
DEMETHYLATION
PROTEIN 3A
(Homo
sapiens)
5 / 12GLY A  80
ILE A 245
THR A  83
VAL A  75
LEU A 222
None
1.38A20.86
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.
5NZ0_A_ZLDA301_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR ETHR)
4gbr BETA-2 ADRENERGIC
RECEPTOR
(Homo
sapiens)
5 / 12GLY A 252
ILE A 250
PHE A 254
ASN A 294
LEU A  75
None
1.47A21.52
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.
5NZ0_A_ZLDA301_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR ETHR)
4lxl LYSINE-SPECIFIC
DEMETHYLASE 4B
(Homo
sapiens)
5 / 12GLY A  81
ILE A 246
THR A  84
VAL A  76
LEU A 223
None
1.37A21.18
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.
5NZ0_A_ZLDA301_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR ETHR)
4xdo LYSINE-SPECIFIC
DEMETHYLASE 4C
(Homo
sapiens)
5 / 12GLY A  82
ILE A 247
THR A  85
VAL A  77
LEU A 224
None
1.32A21.45
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.
5NZ0_A_ZLDA301_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR ETHR)
4y89 CARCINOEMBRYONIC
ANTIGEN-RELATED CELL
ADHESION MOLECULE 7
(Homo
sapiens)
5 / 12GLY A  31
ILE A  93
VAL A  22
ASN A  99
LEU A  97
None
1.16A18.18
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.
5NZ0_A_ZLDA301_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR ETHR)
5a2f CD166 ANTIGEN
(Homo
sapiens)
5 / 12TYR A  29
THR A 126
VAL A  31
LEU A 115
TRP A  56
None
1.04A17.06
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.
5NZ0_A_ZLDA301_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR ETHR)
5h1c DNA REPAIR PROTEIN
RAD51 HOMOLOG 1
(Homo
sapiens)
5 / 12GLY A 335
PHE A 327
THR A 139
VAL A 174
LEU A 112
None
1.37A19.83
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.
5NZ0_A_ZLDA301_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR ETHR)
5u0u DH270.1 SINGLE-CHAIN
VARIABLE FRAGMENT
(Homo
sapiens)
5 / 12GLY G  99
ILE G  34
TRP G 117
TYR G 116
VAL G   2
None
1.31A19.93
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.
5NZ0_A_ZLDA301_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR ETHR)
5u8q INSULIN-LIKE GROWTH
FACTOR 1 RECEPTOR
FV 24-60 HEAVY CHAIN
(Homo
sapiens;
Mus
musculus)
5 / 12TRP A 244
GLY A  27
ILE A  25
TYR H  54
LEU A  19
None
1.36Aundetectable