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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))
2b3x IRON-RESPONSIVE
ELEMENT BINDING
PROTEIN 1
(Homo
sapiens)
5 / 12VAL A 130
VAL A 498
THR A 438
THR A 440
LEU A 551
None
0.99A9.83
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))
2gk9 PHOSPHATIDYLINOSITOL
-4-PHOSPHATE
5-KINASE, TYPE II,
GAMMA
(Homo
sapiens)
5 / 12PHE A 100
LEU A  62
THR A 127
GLY A 187
LEU A  47
None
1.06A15.67
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))
2vre DELTA(3,5)-DELTA(2,4
)-DIENOYL-COA
ISOMERASE
(Homo
sapiens)
5 / 12VAL A 189
LEU A 186
VAL A 150
GLY A 215
LEU A 234
None
None
None
CL  A1290 ( 3.7A)
None
1.15A17.06
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))
3f92 UBIQUITIN-CONJUGATIN
G ENZYME E2 K
(Homo
sapiens)
5 / 12VAL A  16
LEU A 106
VAL A 109
THR A  77
VAL A  73
None
0.80A19.34
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))
3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens)
5 / 12LEU A 115
VAL A 103
VAL A  85
GLY A  56
LEU A 173
None
1.05A17.50
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))
3shu TIGHT JUNCTION
PROTEIN ZO-1
(Homo
sapiens)
5 / 12VAL A  35
LEU A  20
VAL A  18
VAL A  81
GLY A  45
None
1.03A27.01
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))
3u1k POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE 1, MITOCHONDRIAL
(Homo
sapiens)
5 / 12VAL A 472
LEU A 425
THR A 550
THR A 555
GLY A 490
None
1.05A13.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))
3wbg FATTY ACID-BINDING
PROTEIN, HEART
(Homo
sapiens)
6 / 12PHE A  16
VAL A  32
THR A  53
LEU A 115
ARG A 126
TYR A 128
2AN  A 201 ( 4.9A)
None
2AN  A 201 ( 4.0A)
None
2AN  A 201 ( 4.9A)
None
0.87A39.86
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))
4b92 DIHYDROPYRIMIDINASE-
RELATED PROTEIN 5
(Homo
sapiens)
5 / 12PHE A 373
VAL A 403
VAL A 435
THR A 273
LEU A 314
None
1.16A13.96
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))
4cak INTEGRIN ALPHA-IIB
(Homo
sapiens)
5 / 12LEU A 786
VAL A 748
THR A 793
VAL A 794
GLY A 822
None
1.17A8.86
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))
4rkk LAFORIN
(Homo
sapiens)
5 / 12VAL A 292
LEU A 296
VAL A 303
THR A 238
GLY A 279
None
1.13A16.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))
5b29 FATTY ACID-BINDING
PROTEIN, HEART
(Homo
sapiens)
5 / 12VAL A  25
THR A  53
LEU A 115
ARG A 126
TYR A 128
None
PLM  A 200 ( 4.2A)
None
PLM  A 200 (-3.7A)
PLM  A 200 (-4.8A)
0.80A40.15
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))
5dfl UBIQUITIN-CONJUGATIN
G ENZYME E2 K
(Homo
sapiens)
5 / 12VAL A  16
LEU A 106
VAL A 109
THR A  77
VAL A  73
None
None
None
None
GOL  A 301 (-4.4A)
0.77A19.81
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))
5i35 ATYPICAL KINASE
ADCK3, MITOCHONDRIAL
(Homo
sapiens)
5 / 12VAL A 300
LEU A 267
VAL A 270
GLY A 278
TYR A 408
None
1.17A15.01
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))
5nug CYTOPLASMIC DYNEIN 1
HEAVY CHAIN 1
(Homo
sapiens)
5 / 12PHE A4145
VAL A4055
THR A4039
ARG A4123
GLY A4032
None
1.07A2.43
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))
5tzy FREE FATTY ACID
RECEPTOR
1,ENDOLYSIN,FREE
FATTY ACID RECEPTOR
1
(Escherichia
virus
T4;
Homo
sapiens)
5 / 12VAL A 134
LEU A 190
GLY A  93
LEU A  59
TYR A  12
7OS  A2403 (-4.6A)
7OS  A2403 (-4.3A)
None
None
None
1.14A15.06
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))
5xau LAMININ SUBUNIT
ALPHA-5
(Homo
sapiens)
5 / 12PHE A3258
VAL A3288
LEU A3133
VAL A3265
GLY A3291
None
1.09A12.03
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))
6db7 HUMAN MONOCLONAL
ANTI-HIV-1 GP120 V3
ANTIBODY 1334 FAB
HEAVY CHAIN
(Homo
sapiens)
5 / 12VAL H  67
LEU H  82
VAL H  18
VAL H 109
LEU H   4
None
1.17A19.12