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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)
2hrb CARBONYL REDUCTASE
[NADPH] 3
(Homo
sapiens)
5 / 12LEU A 256
VAL A 252
VAL A  33
LEU A  50
LEU A  55
None
1.16A23.23
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)
3bhi CARBONYL REDUCTASE
[NADPH] 1
(Homo
sapiens)
5 / 12LEU A 255
VAL A 251
VAL A  32
LEU A  49
LEU A  54
None
1.14A20.40
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)
3cuq VACUOLAR-SORTING
PROTEIN SNF8
VACUOLAR
PROTEIN-SORTING-ASSO
CIATED PROTEIN 36
(Homo
sapiens;
Homo
sapiens)
5 / 12LEU A 154
LEU B 272
VAL B 273
ILE B 252
LEU B 294
None
1.04A23.94
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)
3cuq VACUOLAR-SORTING
PROTEIN SNF8
VACUOLAR
PROTEIN-SORTING-ASSO
CIATED PROTEIN 36
(Homo
sapiens;
Homo
sapiens)
5 / 12LEU A 154
VAL B 273
ILE B 252
LEU B 294
LEU B 301
None
0.98A23.94
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)
3szb ALDEHYDE
DEHYDROGENASE
(Homo
sapiens)
5 / 12LEU A  29
LEU A  67
VAL A  66
LEU A 136
LEU A 149
None
1.14A18.82
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)
3t04 MONOBODY 7C12
(Homo
sapiens)
5 / 12VAL D  81
ILE D  97
SER D  95
TYR D  84
VAL D  38
None
1.07A18.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)
3wgp VITAMIN D3 RECEPTOR
(Homo
sapiens)
12 / 12LEU A 227
LEU A 233
VAL A 234
ILE A 271
SER A 275
SER A 278
TRP A 286
CYH A 288
TYR A 295
VAL A 300
LEU A 309
LEU A 313
None
ED9  A 501 ( 4.3A)
None
ED9  A 501 (-4.5A)
ED9  A 501 (-3.9A)
ED9  A 501 (-2.7A)
ED9  A 501 (-3.5A)
ED9  A 501 (-3.4A)
None
ED9  A 501 (-4.5A)
ED9  A 501 (-4.9A)
None
0.16A100.00
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)
4npk EXTENDED
SYNAPTOTAGMIN-2
(Homo
sapiens)
5 / 12ILE A 418
SER A 427
TRP A 438
LEU A 491
LEU A 458
None
1.02A23.49
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)
4p42 EXTENDED
SYNAPTOTAGMIN-2
(Homo
sapiens)
5 / 12ILE A 390
SER A 399
TRP A 410
LEU A 463
LEU A 430
None
1.02A20.58
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)
4rh7 GREEN FLUORESCENT
PROTEIN/CYTOPLASMIC
DYNEIN 2 HEAVY CHAIN
1
(Homo
sapiens;
synthetic
construct)
5 / 12LEU A1904
SER A2049
TRP A2051
LEU A1939
LEU A1996
None
1.11A6.18
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)
4uuc ANKYRIN REPEAT AND
SOCS BOX PROTEIN 11
(Homo
sapiens)
5 / 12LEU A 150
VAL A 149
SER A 143
SER A 141
LEU A  78
None
1.17A23.66
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)
5hdt SISTER CHROMATID
COHESION PROTEIN
PDS5 HOMOLOG B
(Homo
sapiens)
5 / 12LEU A 355
VAL A 385
ILE A 382
TRP A 435
LEU A 412
None
1.10A12.79
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)
5i2x ADRENOCORTICAL
DYSPLASIA PROTEIN
HOMOLOG
(Homo
sapiens)
5 / 12LEU A 144
VAL A 205
TYR A 202
VAL A 153
LEU A 102
None
1.15A22.76
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)
5lb3 ATP-DEPENDENT DNA
HELICASE Q5
(Homo
sapiens)
5 / 12VAL B  76
ILE B 128
TYR B  62
LEU B 183
LEU B 151
None
1.12A19.38
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)
5mvd DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL
(Homo
sapiens)
6 / 12LEU A 182
LEU A 253
VAL A 252
ILE A 277
VAL A 213
LEU A 230
None
1.37A22.62
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.
1S19_A_MC9A500_1
(VITAMIN D3 RECEPTOR)
1zkl HIGH-AFFINITY
CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 7A
(Homo
sapiens)
4 / 5SER A 236
ARG A 350
HIS A 225
HIS A 181
None
1.32A21.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1S19_A_MC9A500_1
(VITAMIN D3 RECEPTOR)
3wgp VITAMIN D3 RECEPTOR
(Homo
sapiens)
5 / 5TYR A 143
SER A 237
ARG A 274
HIS A 305
HIS A 397
ED9  A 501 (-3.7A)
ED9  A 501 (-2.7A)
ED9  A 501 (-2.9A)
ED9  A 501 (-3.9A)
ED9  A 501 (-3.9A)
0.13A100.00
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.
1S19_A_MC9A500_1
(VITAMIN D3 RECEPTOR)
5v4r LA-RELATED PROTEIN 1
(Homo
sapiens)
4 / 5TYR A 883
SER A 843
ARG A 847
HIS A 797
MGT  A1001 (-3.9A)
None
None
None
1.39A20.62