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.
1GS4_A_ZK5A1918_1
(ANDROGEN RECEPTOR)		1xb7 STEROID HORMONE
RECEPTOR ERR1
(Homo
sapiens)		5 / 12LEU A 324
LEU A 327
TRP A 361
MET A 362
VAL A 366
None
0.67A25.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1GS4_A_ZK5A1918_1
(ANDROGEN RECEPTOR)		2ax9 ANDROGEN RECEPTOR
(Homo
sapiens)		10 / 12LEU A 704
ASN A 705
LEU A 707
GLY A 708
GLN A 711
MET A 742
VAL A 746
MET A 780
LEU A 880
PHE A 891
BHM  A   1 (-4.0A)
BHM  A   1 (-3.6A)
BHM  A   1 ( 4.2A)
BHM  A   1 ( 3.8A)
BHM  A   1 (-2.2A)
BHM  A   1 ( 4.0A)
BHM  A   1 (-3.6A)
BHM  A   1 ( 4.3A)
None
None
0.58A99.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1GS4_A_ZK5A1918_1
(ANDROGEN RECEPTOR)		2ax9 ANDROGEN RECEPTOR
(Homo
sapiens)		8 / 12LEU A 704
ASN A 705
TRP A 741
MET A 742
VAL A 746
MET A 780
LEU A 880
PHE A 891
BHM  A   1 (-4.0A)
BHM  A   1 (-3.6A)
None
BHM  A   1 ( 4.0A)
BHM  A   1 (-3.6A)
BHM  A   1 ( 4.3A)
None
None
1.03A99.19
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.
1GS4_A_ZK5A1918_1
(ANDROGEN RECEPTOR)		2e5j METHENYLTETRAHYDROFO
LATE SYNTHETASE
DOMAIN CONTAINING
(Homo
sapiens)		5 / 12LEU A 362
LEU A 365
GLY A 364
ALA A 375
LEU A 376
None
1.17A15.25
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.
1GS4_A_ZK5A1918_1
(ANDROGEN RECEPTOR)		2jis CYSTEINE SULFINIC
ACID DECARBOXYLASE
(Homo
sapiens)		5 / 12LEU A 316
GLY A 152
VAL A 272
LEU A 132
PHE A 148
None
PLP  A1494 (-3.5A)
None
None
None
1.17A18.07
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.
1GS4_A_ZK5A1918_1
(ANDROGEN RECEPTOR)		2mgs C-X-C MOTIF
CHEMOKINE 5
(Homo
sapiens)		5 / 12LEU A  63
GLY A  21
GLN A  20
ALA A  46
LEU A  30
None
1.03A18.37
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.
1GS4_A_ZK5A1918_1
(ANDROGEN RECEPTOR)		2p0k POLYCOMB PROTEIN
SCMH1
(Homo
sapiens)		5 / 12LEU A  88
LEU A  83
GLY A  82
ALA A  78
PHE A 101
None
1.19A20.77
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.
1GS4_A_ZK5A1918_1
(ANDROGEN RECEPTOR)		2z65 TOLL-LIKE RECEPTOR
4, VARIABLE
LYMPHOCYTE RECEPTOR
B
(Eptatretus
burgeri;
Homo
sapiens)		5 / 12LEU A 180
LEU A 208
MET A 201
VAL A 197
LEU A 152
None
1.16A21.21
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.
1GS4_A_ZK5A1918_1
(ANDROGEN RECEPTOR)		3e73 LANC-LIKE PROTEIN 1
(Homo
sapiens)		5 / 12LEU A  71
LEU A 372
GLY A  67
ALA A  88
LEU A  87
None
1.16A20.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1GS4_A_ZK5A1918_1
(ANDROGEN RECEPTOR)		3kba PROGESTERONE
RECEPTOR
(Homo
sapiens)		5 / 12ASN A 719
TRP A 755
MET A 756
VAL A 760
PHE A 905
WOW  A   1 (-3.3A)
None
WOW  A   1 ( 4.1A)
WOW  A   1 (-4.1A)
WOW  A   1 (-4.6A)
0.88A55.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1GS4_A_ZK5A1918_1
(ANDROGEN RECEPTOR)		3kba PROGESTERONE
RECEPTOR
(Homo
sapiens)		8 / 12LEU A 718
ASN A 719
LEU A 721
GLY A 722
GLN A 725
MET A 756
VAL A 760
PHE A 905
WOW  A   1 (-4.2A)
WOW  A   1 (-3.3A)
WOW  A   1 ( 4.3A)
WOW  A   1 ( 4.3A)
WOW  A   1 ( 4.1A)
WOW  A   1 ( 4.1A)
WOW  A   1 (-4.1A)
WOW  A   1 (-4.6A)
0.54A55.20
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.
1GS4_A_ZK5A1918_1
(ANDROGEN RECEPTOR)		3t2n SERINE PROTEASE
HEPSIN
(Homo
sapiens)		5 / 12LEU A  96
LEU A 278
GLY A  94
ALA A  98
LEU A  99
None
0.95A19.20
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.
1GS4_A_ZK5A1918_1
(ANDROGEN RECEPTOR)		4acq ALPHA-2-MACROGLOBULI
N
(Homo
sapiens)		5 / 12LEU A 828
GLN A 843
VAL A 839
ALA A 812
LEU A 796
None
1.18A10.06
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.
1GS4_A_ZK5A1918_1
(ANDROGEN RECEPTOR)		4cns DIHYDROPYRIMIDINASE-
LIKE 3
(Homo
sapiens)		5 / 12LEU A 188
LEU A 191
GLY A 192
VAL A 161
LEU A 250
None
1.12A19.33
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.
1GS4_A_ZK5A1918_1
(ANDROGEN RECEPTOR)		4cnt DIHYDROPYRIMIDINASE-
LIKE 3
(Homo
sapiens)		5 / 12LEU A 188
LEU A 191
GLY A 192
VAL A 161
LEU A 250
None
1.10A17.96
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.
1GS4_A_ZK5A1918_1
(ANDROGEN RECEPTOR)		4din CAMP-DEPENDENT
PROTEIN KINASE TYPE
I-BETA REGULATORY
SUBUNIT
(Homo
sapiens)		5 / 12GLY B 166
GLN B 164
VAL B 162
ALA B 202
LEU B 201
None
1.15A18.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1GS4_A_ZK5A1918_1
(ANDROGEN RECEPTOR)		4p6w GLUCOCORTICOID
RECEPTOR
(Homo
sapiens)		6 / 12ASN A 564
GLY A 568
GLN A 570
TRP A 600
MET A 601
PHE A 749
MOF  A 801 (-3.0A)
None
MOF  A 801 (-2.9A)
None
MOF  A 801 (-3.7A)
MOF  A 801 (-4.4A)
1.30A51.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1GS4_A_ZK5A1918_1
(ANDROGEN RECEPTOR)		4p6w GLUCOCORTICOID
RECEPTOR
(Homo
sapiens)		8 / 12LEU A 563
ASN A 564
LEU A 566
GLY A 567
GLN A 570
TRP A 600
MET A 601
PHE A 749
MOF  A 801 (-3.9A)
MOF  A 801 (-3.0A)
MOF  A 801 ( 4.6A)
MOF  A 801 (-3.4A)
MOF  A 801 (-2.9A)
None
MOF  A 801 (-3.7A)
MOF  A 801 (-4.4A)
0.74A51.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1GS4_A_ZK5A1918_1
(ANDROGEN RECEPTOR)		4udb MINERALOCORTICOID
RECEPTOR
(Homo
sapiens)		7 / 12LEU A 769
ASN A 770
LEU A 772
GLN A 776
TRP A 806
MET A 807
PHE A 956
CV7  A1987 (-4.1A)
CV7  A1987 (-3.1A)
CV7  A1987 ( 4.5A)
CV7  A1987 (-3.0A)
None
CV7  A1987 ( 3.9A)
CV7  A1987 ( 4.7A)
0.77A52.59
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.
1GS4_A_ZK5A1918_1
(ANDROGEN RECEPTOR)		5mju EXCITATORY AMINO
ACID TRANSPORTER
1,NEUTRAL AMINO ACID
TRANSPORTER
B(0),EXCITATORY
AMINO ACID
TRANSPORTER 1
(Homo
sapiens)		5 / 12ASN A 463
LEU A 465
GLY A 466
VAL A 312
ALA A 383
7O9  A 602 (-3.8A)
None
None
None
None
0.72A19.35
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.
1GS4_A_ZK5A1918_1
(ANDROGEN RECEPTOR)		5mwp MINERALOCORTICOID
RECEPTOR
(Homo
sapiens)		8 / 12LEU A 769
ASN A 770
LEU A 772
GLN A 776
TRP A 806
MET A 807
MET A 845
PHE A 956
ECV  A1101 (-4.7A)
ECV  A1101 (-3.1A)
ECV  A1101 ( 3.9A)
ECV  A1101 (-2.9A)
None
ECV  A1101 (-3.6A)
ECV  A1101 (-4.0A)
ECV  A1101 ( 4.7A)
0.75A20.51
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.
1GS4_A_ZK5A1918_1
(ANDROGEN RECEPTOR)		6cz4 PROTEIN-TYROSINE
KINASE 6
(Homo
sapiens)		5 / 12LEU A 419
GLY A 374
ALA A 293
LEU A 290
PHE A 381
None
1.16A17.14
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.
1GS4_A_ZK5A1918_1
(ANDROGEN RECEPTOR)		6fuz KINESIN LIGHT CHAIN
1,KINESIN LIGHT
CHAIN
1,C-JUN-AMINO-TERMIN
AL
KINASE-INTERACTING
PROTEIN 1
(Homo
sapiens;
Mus
musculus)		5 / 12LEU A 470
ASN A 469
LEU A 467
ALA A 388
LEU A 392
None
1.18A17.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1GS4_A_ZK5A1918_2
(ANDROGEN RECEPTOR)		2ax9 ANDROGEN RECEPTOR
(Homo
sapiens)		4 / 5MET A 745
MET A 749
ARG A 752
VAL A 889
BHM  A   1 (-3.9A)
BHM  A   1 (-4.3A)
BHM  A   1 (-3.8A)
None
0.45A99.19