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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4CI2_B_LVYB1429_1
(PROTEIN CEREBLON)		5hxb PROTEIN CEREBLON
(Homo
sapiens)		9 / 9ASN Z 351
PRO Z 352
HIS Z 353
HIS Z 378
SER Z 379
TRP Z 380
TRP Z 386
TRP Z 400
PHE Z 402
85C  Z 502 (-3.6A)
85C  Z 502 (-4.4A)
85C  Z 502 (-3.9A)
85C  Z 502 (-3.8A)
85C  Z 502 (-3.2A)
85C  Z 502 (-3.2A)
85C  Z 502 (-3.4A)
85C  Z 502 (-3.7A)
None
0.47A78.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4CI2_B_LVYB1429_1
(PROTEIN CEREBLON)		5hxb PROTEIN CEREBLON
(Homo
sapiens)		5 / 9ASN Z 351
PRO Z 352
HIS Z 378
SER Z 379
PHE Z 381
85C  Z 502 (-3.6A)
85C  Z 502 (-4.4A)
85C  Z 502 (-3.8A)
85C  Z 502 (-3.2A)
None
1.36A78.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4TZ4_C_LVYC502_1
(PROTEIN CEREBLON)		5hxb PROTEIN CEREBLON
(Homo
sapiens)		9 / 9ASN Z 351
PRO Z 352
HIS Z 353
HIS Z 378
SER Z 379
TRP Z 380
TRP Z 386
TRP Z 400
PHE Z 402
85C  Z 502 (-3.6A)
85C  Z 502 (-4.4A)
85C  Z 502 (-3.9A)
85C  Z 502 (-3.8A)
85C  Z 502 (-3.2A)
85C  Z 502 (-3.2A)
85C  Z 502 (-3.4A)
85C  Z 502 (-3.7A)
None
0.48A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4TZ4_C_LVYC502_1
(PROTEIN CEREBLON)		5hxb PROTEIN CEREBLON
(Homo
sapiens)		5 / 9ASN Z 351
PRO Z 352
HIS Z 378
SER Z 379
PHE Z 381
85C  Z 502 (-3.6A)
85C  Z 502 (-4.4A)
85C  Z 502 (-3.8A)
85C  Z 502 (-3.2A)
None
1.38A100.00
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.
4V30_A_LVYA151_1
(CEREBLON ISOFORM 4)		3lpp SUCRASE-ISOMALTASE
(Homo
sapiens)		4 / 7ASN A 319
PRO A 315
PHE A 670
TYR A 660
None
1.47A9.88
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.
4V30_A_LVYA151_1
(CEREBLON ISOFORM 4)		4h4f CHYMOTRYPSIN-C
(Homo
sapiens)		4 / 7ASN A 200
PRO A 198
TRP A  27
TRP A 207
None
1.48A20.08
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.
4V30_A_LVYA151_1
(CEREBLON ISOFORM 4)		4ot1 SM5-1 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 7ASN H  52
PRO H  53
TRP H  50
TYR H  60
None
1.24A18.60
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.
4V30_A_LVYA151_1
(CEREBLON ISOFORM 4)		5hxb PROTEIN CEREBLON
(Homo
sapiens)		5 / 7ASN Z 351
PRO Z 352
TRP Z 380
TRP Z 386
TRP Z 400
85C  Z 502 (-3.6A)
85C  Z 502 (-4.4A)
85C  Z 502 (-3.2A)
85C  Z 502 (-3.4A)
85C  Z 502 (-3.7A)
0.54A16.50
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.
4V30_B_LVYB151_1
(CEREBLON ISOFORM 4)		2d7t ANTI
POLYHYDROXYBUTYRATE
ANTIBODY FV, HEAVY
CHAIN
(Homo
sapiens)		4 / 8ASN H  52
PRO H  53
TRP H  50
TYR H  60
None
1.18A22.76
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.
4V30_B_LVYB151_1
(CEREBLON ISOFORM 4)		2nt2 PROTEIN PHOSPHATASE
SLINGSHOT HOMOLOG 2
(Homo
sapiens)		4 / 8ASN A 322
PRO A 308
PHE A 316
TYR A 354
None
1.27A21.09
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.
4V30_B_LVYB151_1
(CEREBLON ISOFORM 4)		3som METHYLMALONIC
ACIDURIA AND
HOMOCYSTINURIA TYPE
C PROTEIN
(Homo
sapiens)		4 / 8PRO A  56
PHE A 154
TRP A 157
TYR A 205
None
1.49A19.83
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.
4V30_B_LVYB151_1
(CEREBLON ISOFORM 4)		3u9w LEUKOTRIENE A-4
HYDROLASE
(Homo
sapiens)		4 / 8ASN A1272
MET A1270
TRP A1253
TYR A1251
None
28P  A7001 (-3.5A)
None
None
1.46A12.29
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.
4V30_B_LVYB151_1
(CEREBLON ISOFORM 4)		4aqb MANNAN-BINDING
LECTIN SERINE
PROTEASE 1
(Homo
sapiens)		4 / 8PRO A 265
PHE A 259
TRP A 290
TYR A 206
None
1.44A15.57
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.
4V30_B_LVYB151_1
(CEREBLON ISOFORM 4)		4jnc BIFUNCTIONAL EPOXIDE
HYDROLASE 2
(Homo
sapiens)		4 / 8ASN A 366
PRO A 367
MET A 369
TYR A 343
None
1.48A20.89
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.
4V30_B_LVYB151_1
(CEREBLON ISOFORM 4)		4ot1 SM5-1 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8ASN H  52
PRO H  53
TRP H  50
TYR H  60
None
1.21A18.60
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.
4V30_B_LVYB151_1
(CEREBLON ISOFORM 4)		5hxb PROTEIN CEREBLON
(Homo
sapiens)		5 / 8ASN Z 351
PRO Z 352
TRP Z 380
TRP Z 386
TRP Z 400
85C  Z 502 (-3.6A)
85C  Z 502 (-4.4A)
85C  Z 502 (-3.2A)
85C  Z 502 (-3.4A)
85C  Z 502 (-3.7A)
0.48A16.50
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.
4V30_B_LVYB151_1
(CEREBLON ISOFORM 4)		5uos METHYLMALONIC
ACIDURIA AND
HOMOCYSTINURIA TYPE
C PROTEIN
(Homo
sapiens)		4 / 8PRO A  56
PHE A 154
TRP A 157
TYR A 205
None
1.50A20.33
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.
4V30_B_LVYB151_1
(CEREBLON ISOFORM 4)		6f1d COMPLEMENT C1R
SUBCOMPONENT
(Homo
sapiens)		4 / 8PRO A 256
PHE A 250
TRP A 281
TYR A 197
None
1.36A18.18
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.
4V30_C_LVYC151_1
(CEREBLON ISOFORM 4)		5hxb PROTEIN CEREBLON
(Homo
sapiens)		5 / 7ASN Z 351
PRO Z 352
TRP Z 380
TRP Z 386
TRP Z 400
85C  Z 502 (-3.6A)
85C  Z 502 (-4.4A)
85C  Z 502 (-3.2A)
85C  Z 502 (-3.4A)
85C  Z 502 (-3.7A)
0.73A16.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5FQD_B_LVYB1438_1
(PROTEIN CEREBLON
CASEIN KINASE I
ISOFORM ALPHA)		5hxb EUKARYOTIC PEPTIDE
CHAIN RELEASE FACTOR
GTP-BINDING SUBUNIT
ERF3A
PROTEIN CEREBLON
(Homo
sapiens)		9 / 11ASN Z 351
PRO Z 352
HIS Z 353
GLU Z 377
HIS Z 378
TRP Z 380
TRP Z 386
PHE Z 402
GLY X 575
85C  Z 502 (-3.6A)
85C  Z 502 (-4.4A)
85C  Z 502 (-3.9A)
85C  Z 502 (-3.2A)
85C  Z 502 (-3.8A)
85C  Z 502 (-3.2A)
85C  Z 502 (-3.4A)
None
85C  Z 502 (-3.7A)
0.58A99.26
21.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5FQD_B_LVYB1438_1
(PROTEIN CEREBLON
CASEIN KINASE I
ISOFORM ALPHA)		5hxb EUKARYOTIC PEPTIDE
CHAIN RELEASE FACTOR
GTP-BINDING SUBUNIT
ERF3A
PROTEIN CEREBLON
(Homo
sapiens)		9 / 11ASN Z 351
PRO Z 352
HIS Z 353
HIS Z 378
TRP Z 380
TRP Z 386
TRP Z 400
PHE Z 402
GLY X 575
85C  Z 502 (-3.6A)
85C  Z 502 (-4.4A)
85C  Z 502 (-3.9A)
85C  Z 502 (-3.8A)
85C  Z 502 (-3.2A)
85C  Z 502 (-3.4A)
85C  Z 502 (-3.7A)
None
85C  Z 502 (-3.7A)
0.35A99.26
21.51
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.
5FQD_E_LVYE1438_1
(PROTEIN CEREBLON
CASEIN KINASE I
ISOFORM ALPHA)		2a3k PROTEIN TYROSINE
PHOSPHATASE,
NON-RECEPTOR TYPE 7,
ISOFORM 1
(Homo
sapiens)		5 / 12PRO A 171
HIS A 290
SER A 177
TRP A 180
PHE A 218
None
1.40A21.99
20.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5FQD_E_LVYE1438_1
(PROTEIN CEREBLON
CASEIN KINASE I
ISOFORM ALPHA)		5hxb EUKARYOTIC PEPTIDE
CHAIN RELEASE FACTOR
GTP-BINDING SUBUNIT
ERF3A
PROTEIN CEREBLON
(Homo
sapiens)		10 / 12ASN Z 351
PRO Z 352
HIS Z 353
GLU Z 377
HIS Z 378
SER Z 379
TRP Z 380
TRP Z 386
PHE Z 402
GLY X 575
85C  Z 502 (-3.6A)
85C  Z 502 (-4.4A)
85C  Z 502 (-3.9A)
85C  Z 502 (-3.2A)
85C  Z 502 (-3.8A)
85C  Z 502 (-3.2A)
85C  Z 502 (-3.2A)
85C  Z 502 (-3.4A)
None
85C  Z 502 (-3.7A)
0.59A99.26
21.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5FQD_E_LVYE1438_1
(PROTEIN CEREBLON
CASEIN KINASE I
ISOFORM ALPHA)		5hxb EUKARYOTIC PEPTIDE
CHAIN RELEASE FACTOR
GTP-BINDING SUBUNIT
ERF3A
PROTEIN CEREBLON
(Homo
sapiens)		10 / 12ASN Z 351
PRO Z 352
HIS Z 353
HIS Z 378
SER Z 379
TRP Z 380
TRP Z 386
TRP Z 400
PHE Z 402
GLY X 575
85C  Z 502 (-3.6A)
85C  Z 502 (-4.4A)
85C  Z 502 (-3.9A)
85C  Z 502 (-3.8A)
85C  Z 502 (-3.2A)
85C  Z 502 (-3.2A)
85C  Z 502 (-3.4A)
85C  Z 502 (-3.7A)
None
85C  Z 502 (-3.7A)
0.39A99.26
21.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5FQD_E_LVYE1438_1
(PROTEIN CEREBLON
CASEIN KINASE I
ISOFORM ALPHA)		5hxb PROTEIN CEREBLON
(Homo
sapiens)		5 / 12ASN Z 351
PRO Z 352
HIS Z 378
SER Z 379
PHE Z 381
85C  Z 502 (-3.6A)
85C  Z 502 (-4.4A)
85C  Z 502 (-3.8A)
85C  Z 502 (-3.2A)
None
1.25A99.26
21.51
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.
5FQD_E_LVYE1438_1
(PROTEIN CEREBLON
CASEIN KINASE I
ISOFORM ALPHA)		5kca CEREBELLIN-1,CEREBEL
LIN-1,CEREBELLIN-1,G
LUTAMATE RECEPTOR
IONOTROPIC, DELTA-2
(Homo
sapiens)		5 / 12ASN A 115
HIS A 117
SER A 183
PHE A  86
ILE A 139
None
1.43A18.16
16.40