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.
5Q1S_A_AWYA1103_0
(DNA CROSS-LINK
REPAIR 1A PROTEIN)
1gz4 NAD-DEPENDENT MALIC
ENZYME
(Homo
sapiens)
4 / 6VAL A 553
LYS A 549
ILE A 524
LYS A 529
None
1.36A20.47
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.
5Q1S_A_AWYA1103_0
(DNA CROSS-LINK
REPAIR 1A PROTEIN)
2jif SHORT/BRANCHED CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE
(Homo
sapiens)
4 / 6VAL A 400
LYS A 402
ILE A 386
LYS A 396
None
1.46A22.40
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.
5Q1S_A_AWYA1103_0
(DNA CROSS-LINK
REPAIR 1A PROTEIN)
2r8u MICROTUBULE-ASSOCIAT
ED PROTEIN RP/EB
FAMILY MEMBER 1
(Homo
sapiens)
4 / 6LYS A 100
VAL A  93
LYS A  95
ILE A  72
None
1.00A19.44
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.
5Q1S_A_AWYA1103_0
(DNA CROSS-LINK
REPAIR 1A PROTEIN)
3vvw CALCIUM-BINDING AND
COILED-COIL
DOMAIN-CONTAINING
PROTEIN 2
(Homo
sapiens)
4 / 6VAL A  75
ILE A  79
LYS A  88
TYR A  42
None
1.40A14.55
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.
5Q1S_A_AWYA1103_0
(DNA CROSS-LINK
REPAIR 1A PROTEIN)
4bxo FANCONI ANEMIA GROUP
M PROTEIN
(Homo
sapiens)
4 / 6LYS A1877
VAL A1898
ILE A1932
TYR A1918
None
1.42A22.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5Q1S_A_AWYA1103_0
(DNA CROSS-LINK
REPAIR 1A PROTEIN)
5ahr DNA CROSS-LINK
REPAIR 1A PROTEIN
(Homo
sapiens)
6 / 6LYS A 831
VAL A1004
LYS A1008
ILE A1012
LYS A1035
TYR A1040
None
0.48A99.42
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.
5Q1S_A_AWYA1103_0
(DNA CROSS-LINK
REPAIR 1A PROTEIN)
5ikr PROSTAGLANDIN G/H
SYNTHASE 2
(Homo
sapiens)
4 / 6LYS A 468
VAL A 501
ILE A 498
LYS A 166
None
1.22A21.82
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.
5Q1S_A_AWYA1103_0
(DNA CROSS-LINK
REPAIR 1A PROTEIN)
5j9s PROTEIN ENL
(Homo
sapiens)
4 / 6VAL A  87
LYS A  50
ILE A  44
LYS A  90
None
SO4  A 201 (-3.2A)
None
None
0.90A18.52
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.
5Q1S_A_AWYA1103_0
(DNA CROSS-LINK
REPAIR 1A PROTEIN)
5lt1 KINESIN-LIKE PROTEIN
(Homo
sapiens)
4 / 6LYS A 150
VAL A 155
LYS A 166
ILE A 285
None
1.24A25.35