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.
6HLP_A_GAWA1501_0
(SUBSTANCE-P
RECEPTOR,SUBSTANCE-P
RECEPTOR)		1x5n HARMONIN
(Homo
sapiens)		5 / 12ILE A  95
ILE A  65
VAL A  19
THR A  92
ILE A  93
None
1.16A12.45
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.
6HLP_A_GAWA1501_0
(SUBSTANCE-P
RECEPTOR,SUBSTANCE-P
RECEPTOR)		2ice COMPLEMENT C3 BETA
CHAIN
(Homo
sapiens)		5 / 12PRO A 270
ILE A 269
ILE A 271
THR A 232
ILE A 233
None
1.06A23.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6HLP_A_GAWA1501_0
(SUBSTANCE-P
RECEPTOR,SUBSTANCE-P
RECEPTOR)		2ksb SUBSTANCE-P RECEPTOR
(Homo
sapiens)		5 / 12ILE A 113
THR A 201
TRP A 261
HIS A 265
PRO A 271
None
1.17A62.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6HLP_A_GAWA1501_0
(SUBSTANCE-P
RECEPTOR,SUBSTANCE-P
RECEPTOR)		2ksb SUBSTANCE-P RECEPTOR
(Homo
sapiens)		5 / 12PRO A 112
ILE A 113
TRP A 261
HIS A 265
PRO A 271
None
0.92A62.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6HLP_A_GAWA1501_0
(SUBSTANCE-P
RECEPTOR,SUBSTANCE-P
RECEPTOR)		2ksb SUBSTANCE-P RECEPTOR
(Homo
sapiens)		5 / 12VAL A 200
THR A 201
ILE A 204
HIS A 265
PHE A 264
None
1.13A62.69
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.
6HLP_A_GAWA1501_0
(SUBSTANCE-P
RECEPTOR,SUBSTANCE-P
RECEPTOR)		2z80 TOLL-LIKE RECEPTOR
2, VARIABLE
LYMPHOCYTE RECEPTOR
B
(Eptatretus
burgeri;
Homo
sapiens)		5 / 12ASN A 274
ILE A 276
ILE A 251
PHE A 256
PHE A 284
None
1.19A21.37
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.
6HLP_A_GAWA1501_0
(SUBSTANCE-P
RECEPTOR,SUBSTANCE-P
RECEPTOR)		4ay2 PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX58
(Homo
sapiens)		5 / 12ILE A 262
ILE A 406
VAL A 273
ILE A 277
PHE A 295
None
1.12A19.97
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.
6HLP_A_GAWA1501_0
(SUBSTANCE-P
RECEPTOR,SUBSTANCE-P
RECEPTOR)		4nh1 CASEIN KINASE II
SUBUNIT BETA
(Homo
sapiens)		5 / 12ILE C  53
VAL C  25
TRP C   9
PHE C  13
PHE C  22
None
1.12A16.60
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.
6HLP_A_GAWA1501_0
(SUBSTANCE-P
RECEPTOR,SUBSTANCE-P
RECEPTOR)		4nh1 CASEIN KINASE II
SUBUNIT BETA
(Homo
sapiens)		5 / 12ILE C  83
VAL C  25
TRP C   9
PHE C  13
PHE C  22
None
1.11A16.60
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.
6HLP_A_GAWA1501_0
(SUBSTANCE-P
RECEPTOR,SUBSTANCE-P
RECEPTOR)		5ezv 5'-AMP-ACTIVATED
PROTEIN KINASE
SUBUNIT BETA-1
(Homo
sapiens)		5 / 12PRO B 140
ILE B 141
ILE B 152
VAL B 149
PHE B 127
None
1.12A18.18
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.
6HLP_A_GAWA1501_0
(SUBSTANCE-P
RECEPTOR,SUBSTANCE-P
RECEPTOR)		5gs0 TOLL-LIKE RECEPTOR 3
(Homo
sapiens)		5 / 12ASN A 413
ILE A 461
ILE A 458
TRP A 452
PHE A 427
NAG  A 814 (-2.6A)
None
None
None
None
1.20A22.24
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.
6HLP_A_GAWA1501_0
(SUBSTANCE-P
RECEPTOR,SUBSTANCE-P
RECEPTOR)		5j6s ENDOPLASMIC
RETICULUM
AMINOPEPTIDASE 2
(Homo
sapiens)		5 / 12ILE A 328
VAL A 196
THR A 197
ILE A 267
PRO A 201
None
None
None
None
6GA  A1015 ( 4.4A)
1.19A19.42
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.
6HLP_A_GAWA1501_0
(SUBSTANCE-P
RECEPTOR,SUBSTANCE-P
RECEPTOR)		5v54 5-HYDROXYTRYPTAMINE
RECEPTOR 1B,OB-1
FUSED 5-HT1B
RECEPTOR,5-HYDROXYTR
YPTAMINE RECEPTOR 1B
(Spodoptera
frugiperda;
Homo
sapiens)		5 / 12ILE A 130
THR A 213
TRP A 327
PHE A 330
PRO A 338
89F  A1201 (-4.3A)
89F  A1201 (-3.9A)
89F  A1201 (-3.6A)
89F  A1201 (-4.1A)
None
1.04Aundetectable
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.
6HLP_A_GAWA1501_1
(SUBSTANCE-P
RECEPTOR,SUBSTANCE-P
RECEPTOR)		2yd0 ENDOPLASMIC
RETICULUM
AMINOPEPTIDASE 1
(Homo
sapiens)		4 / 5ASN A 218
GLN A 181
TYR A 438
MET A 242
None
BES  A1950 (-4.1A)
BES  A1950 (-4.3A)
None
0.88A21.30
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.
6HLP_A_GAWA1501_1
(SUBSTANCE-P
RECEPTOR,SUBSTANCE-P
RECEPTOR)		4fys AMINOPEPTIDASE N
(Homo
sapiens)		4 / 5ASN A 248
GLN A 211
TYR A 477
MET A 275
None
0.86A20.35
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.
6HLP_A_GAWA1501_1
(SUBSTANCE-P
RECEPTOR,SUBSTANCE-P
RECEPTOR)		4pj6 LEUCYL-CYSTINYL
AMINOPEPTIDASE
(Homo
sapiens)		4 / 5ASN A 330
GLN A 293
TYR A 549
MET A 354
None
LYS  A1102 ( 4.3A)
None
None
1.06A21.28