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.
5MWY_A_YNUA1101_0
(MINERALOCORTICOID
RECEPTOR)
1ch4 MODULE-SUBSTITUTED
CHIMERA HEMOGLOBIN
BETA-ALPHA
(Homo
sapiens)
5 / 12LEU A  81
ALA A 135
SER A 129
LEU A 130
LEU A   3
None
1.09A19.81
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.
5MWY_A_YNUA1101_0
(MINERALOCORTICOID
RECEPTOR)
1cjy PROTEIN (CYTOSOLIC
PHOSPHOLIPASE A2)
(Homo
sapiens)
5 / 12LEU A 341
ALA A 486
SER A 398
LEU A 400
MET A 417
None
1.18A15.66
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.
5MWY_A_YNUA1101_0
(MINERALOCORTICOID
RECEPTOR)
1fns VON WILLEBRAND
FACTOR
(Homo
sapiens)
5 / 12LEU A 519
LEU A 621
ALA A 623
SER A 679
LEU A 677
None
0.98A21.54
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.
5MWY_A_YNUA1101_0
(MINERALOCORTICOID
RECEPTOR)
1lbk GLUTATHIONE
S-TRANSFERASE CLASS
PI CHIMAERA (CODA)
(Homo
sapiens)
5 / 12LEU A 158
LEU A 155
ASN A 154
ALA A 151
LEU A 132
None
1.16A18.57
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.
5MWY_A_YNUA1101_0
(MINERALOCORTICOID
RECEPTOR)
1mi1 NEUROBEACHIN
(Homo
sapiens)
5 / 12LEU A2290
LEU A2293
ASN A2294
ALA A2297
LEU A2546
None
0.53A23.35
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.
5MWY_A_YNUA1101_0
(MINERALOCORTICOID
RECEPTOR)
1pcg ESTROGEN RECEPTOR
(Homo
sapiens)
5 / 12LEU A 346
ALA A 350
TRP A 383
LEU A 391
MET A 421
EST  A   1 (-4.4A)
EST  A   1 ( 3.7A)
None
EST  A   1 ( 3.9A)
EST  A   1 ( 4.3A)
0.67A25.66
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.
5MWY_A_YNUA1101_0
(MINERALOCORTICOID
RECEPTOR)
1t77 LIPOPOLYSACCHARIDE-R
ESPONSIVE AND
BEIGE-LIKE ANCHOR
PROTEIN
(Homo
sapiens)
5 / 12LEU A2226
LEU A2229
ASN A2230
ALA A2233
LEU A2482
None
0.52A23.06
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.
5MWY_A_YNUA1101_0
(MINERALOCORTICOID
RECEPTOR)
1x9d ENDOPLASMIC
RETICULUM
MANNOSYL-OLIGOSACCHA
RIDE
1,2-ALPHA-MANNOSIDAS
E
(Homo
sapiens)
5 / 12LEU A 336
LEU A 339
ALA A 342
SER A 349
LEU A 350
None
1.11A19.55
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.
5MWY_A_YNUA1101_0
(MINERALOCORTICOID
RECEPTOR)
1xb7 STEROID HORMONE
RECEPTOR ERR1
(Homo
sapiens)
5 / 12LEU A 327
LEU A 324
ALA A 396
LEU A 401
LEU A 380
None
1.16A28.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MWY_A_YNUA1101_0
(MINERALOCORTICOID
RECEPTOR)
2ax9 ANDROGEN RECEPTOR
(Homo
sapiens)
8 / 12LEU A 701
LEU A 704
ASN A 705
TRP A 741
MET A 742
MET A 780
MET A 787
LEU A 873
None
BHM  A   1 (-4.0A)
BHM  A   1 (-3.6A)
None
BHM  A   1 ( 4.0A)
BHM  A   1 ( 4.3A)
BHM  A   1 (-3.6A)
BHM  A   1 (-4.4A)
1.23A44.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MWY_A_YNUA1101_0
(MINERALOCORTICOID
RECEPTOR)
3kba PROGESTERONE
RECEPTOR
(Homo
sapiens)
7 / 12LEU A 715
LEU A 718
ASN A 719
TRP A 755
MET A 756
LEU A 763
LEU A 887
WOW  A   1 (-3.9A)
WOW  A   1 (-4.2A)
WOW  A   1 (-3.3A)
None
WOW  A   1 ( 4.1A)
WOW  A   1 ( 4.0A)
WOW  A   1 (-4.0A)
0.94A51.84
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.
5MWY_A_YNUA1101_0
(MINERALOCORTICOID
RECEPTOR)
3rbl AROMATIC L-AMINO
ACID DECARBOXYLASE
(Homo
sapiens)
5 / 12LEU A 222
ALA A 216
SER A 250
LEU A 243
MET A 239
None
1.23A20.12
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.
5MWY_A_YNUA1101_0
(MINERALOCORTICOID
RECEPTOR)
4kng LEUCINE-RICH
REPEAT-CONTAINING
G-PROTEIN COUPLED
RECEPTOR 5
(Homo
sapiens)
5 / 12LEU A 143
LEU A 167
ALA A 190
SER A 211
LEU A 209
None
1.23A20.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MWY_A_YNUA1101_0
(MINERALOCORTICOID
RECEPTOR)
4p6w GLUCOCORTICOID
RECEPTOR
(Homo
sapiens)
6 / 12LEU A 563
ASN A 564
TRP A 600
MET A 601
LEU A 608
LEU A 732
MOF  A 801 (-3.9A)
MOF  A 801 (-3.0A)
None
MOF  A 801 (-3.7A)
MOF  A 801 ( 4.6A)
MOF  A 801 ( 4.2A)
0.53A52.35
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.
5MWY_A_YNUA1101_0
(MINERALOCORTICOID
RECEPTOR)
4qik ROQUIN-1
(Homo
sapiens)
5 / 12LEU A 183
SER A 305
SER A 304
LEU A 307
MET A 317
None
CL  A 505 (-3.7A)
None
None
None
1.11A22.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MWY_A_YNUA1101_0
(MINERALOCORTICOID
RECEPTOR)
4udb MINERALOCORTICOID
RECEPTOR
(Homo
sapiens)
7 / 12ALA A 773
TRP A 806
MET A 807
SER A 811
LEU A 814
MET A 852
LEU A 938
CV7  A1987 (-3.5A)
None
CV7  A1987 ( 3.9A)
None
CV7  A1987 ( 4.0A)
CV7  A1987 ( 3.7A)
CV7  A1987 ( 3.9A)
0.72A99.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MWY_A_YNUA1101_0
(MINERALOCORTICOID
RECEPTOR)
4udb MINERALOCORTICOID
RECEPTOR
(Homo
sapiens)
9 / 12LEU A 766
LEU A 769
ASN A 770
ALA A 773
TRP A 806
MET A 807
SER A 811
LEU A 814
LEU A 938
CV7  A1987 (-3.6A)
CV7  A1987 (-4.1A)
CV7  A1987 (-3.1A)
CV7  A1987 (-3.5A)
None
CV7  A1987 ( 3.9A)
None
CV7  A1987 ( 4.0A)
CV7  A1987 ( 3.9A)
0.33A99.63
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.
5MWY_A_YNUA1101_0
(MINERALOCORTICOID
RECEPTOR)
4yub NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE
(Homo
sapiens)
5 / 12LEU A 121
LEU A 109
SER A 493
LEU A 496
LEU A  56
None
1.13A18.57
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.
5MWY_A_YNUA1101_0
(MINERALOCORTICOID
RECEPTOR)
4zlc ROQUIN-2
(Homo
sapiens)
5 / 12LEU A 180
SER A 302
SER A 301
LEU A 304
MET A 314
None
1.12A19.93
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.
5MWY_A_YNUA1101_0
(MINERALOCORTICOID
RECEPTOR)
5bv8 VON WILLEBRAND
FACTOR
(Homo
sapiens)
5 / 12LEU A1282
LEU A1384
ALA A1386
SER A1442
LEU A1440
None
0.95A20.51
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.
5MWY_A_YNUA1101_0
(MINERALOCORTICOID
RECEPTOR)
5kij ENDOPLASMIC
RETICULUM
MANNOSYL-OLIGOSACCHA
RIDE
1,2-ALPHA-MANNOSIDAS
E
(Homo
sapiens)
5 / 12LEU A 336
LEU A 339
ALA A 342
SER A 349
LEU A 350
None
1.18A21.21
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.
5MWY_A_YNUA1101_0
(MINERALOCORTICOID
RECEPTOR)
5mwp MINERALOCORTICOID
RECEPTOR
(Homo
sapiens)
11 / 12LEU A 766
LEU A 769
ASN A 770
ALA A 773
TRP A 806
MET A 807
SER A 810
LEU A 814
MET A 845
MET A 852
LEU A 938
ECV  A1101 ( 3.9A)
ECV  A1101 (-4.7A)
ECV  A1101 (-3.1A)
ECV  A1101 (-3.8A)
None
ECV  A1101 (-3.6A)
ECV  A1101 (-3.4A)
ECV  A1101 (-4.1A)
ECV  A1101 (-4.0A)
ECV  A1101 (-3.7A)
ECV  A1101 ( 4.3A)
0.42Aundetectable
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.
5MWY_A_YNUA1101_0
(MINERALOCORTICOID
RECEPTOR)
5mwp MINERALOCORTICOID
RECEPTOR
(Homo
sapiens)
11 / 12LEU A 766
LEU A 769
ASN A 770
ALA A 773
TRP A 806
MET A 807
SER A 811
LEU A 814
MET A 845
MET A 852
LEU A 938
ECV  A1101 ( 3.9A)
ECV  A1101 (-4.7A)
ECV  A1101 (-3.1A)
ECV  A1101 (-3.8A)
None
ECV  A1101 (-3.6A)
ECV  A1101 (-3.0A)
ECV  A1101 (-4.1A)
ECV  A1101 (-4.0A)
ECV  A1101 (-3.7A)
ECV  A1101 ( 4.3A)
0.42Aundetectable
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.
5MWY_A_YNUA1101_0
(MINERALOCORTICOID
RECEPTOR)
5toa ESTROGEN RECEPTOR
BETA
(Homo
sapiens)
5 / 12LEU A 298
ALA A 302
TRP A 335
MET A 336
LEU A 343
EST  A 601 (-4.1A)
EST  A 601 ( 3.9A)
None
EST  A 601 ( 3.7A)
EST  A 601 ( 4.4A)
0.57A26.35
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.
5MWY_A_YNUA1101_0
(MINERALOCORTICOID
RECEPTOR)
6c3p ATP-BINDING CASSETTE
SUB-FAMILY C MEMBER
8
(Homo
sapiens)
5 / 12LEU E 318
SER E 581
SER E 579
LEU E 582
LEU E 456
None
1.20Aundetectable
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.
5MWY_A_YNUA1101_1
(MINERALOCORTICOID
RECEPTOR)
1wer P120GAP
(Homo
sapiens)
4 / 6ARG A 776
CYH A1002
THR A1030
PHE A 726
None
1.42A23.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MWY_A_YNUA1101_1
(MINERALOCORTICOID
RECEPTOR)
2ax9 ANDROGEN RECEPTOR
(Homo
sapiens)
4 / 6GLN A 711
ARG A 752
PHE A 764
PHE A 891
BHM  A   1 (-2.2A)
BHM  A   1 (-3.8A)
BHM  A   1 (-4.4A)
None
0.54A44.44
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.
5MWY_A_YNUA1101_1
(MINERALOCORTICOID
RECEPTOR)
2cw6 HYDROXYMETHYLGLUTARY
L-COA LYASE,
MITOCHONDRIAL
(Homo
sapiens)
4 / 6PHE A 147
CYH A 170
THR A 205
PHE A 134
None
1.47A22.45
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.
5MWY_A_YNUA1101_1
(MINERALOCORTICOID
RECEPTOR)
3ibj CGMP-DEPENDENT
3',5'-CYCLIC
PHOSPHODIESTERASE
(Homo
sapiens)
4 / 6GLN A 463
PHE A 433
THR A 499
PHE A 487
None
1.22A19.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MWY_A_YNUA1101_1
(MINERALOCORTICOID
RECEPTOR)
3kba PROGESTERONE
RECEPTOR
(Homo
sapiens)
6 / 6GLN A 725
ARG A 766
PHE A 778
CYH A 891
THR A 894
PHE A 905
WOW  A   1 ( 4.1A)
WOW  A   1 (-3.8A)
None
WOW  A   1 (-3.5A)
WOW  A   1 (-3.9A)
WOW  A   1 (-4.6A)
0.74A51.84
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.
5MWY_A_YNUA1101_1
(MINERALOCORTICOID
RECEPTOR)
4hwt THREONINE--TRNA
LIGASE, CYTOPLASMIC
(Homo
sapiens)
4 / 6GLN A 599
PHE A 572
CYH A 450
PHE A 499
None
1.43A21.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MWY_A_YNUA1101_1
(MINERALOCORTICOID
RECEPTOR)
4p6w GLUCOCORTICOID
RECEPTOR
(Homo
sapiens)
6 / 6GLN A 570
ARG A 611
PHE A 623
CYH A 736
THR A 739
PHE A 749
MOF  A 801 (-2.9A)
MOF  A 801 (-4.2A)
MOF  A 801 (-4.7A)
MOF  A 801 (-3.7A)
MOF  A 801 (-3.9A)
MOF  A 801 (-4.4A)
0.36A52.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MWY_A_YNUA1101_1
(MINERALOCORTICOID
RECEPTOR)
4udb MINERALOCORTICOID
RECEPTOR
(Homo
sapiens)
6 / 6GLN A 776
ARG A 817
PHE A 829
CYH A 942
THR A 945
PHE A 956
CV7  A1987 (-3.0A)
CV7  A1987 (-3.7A)
CV7  A1987 (-4.9A)
CV7  A1987 (-4.0A)
CV7  A1987 (-3.1A)
CV7  A1987 ( 4.7A)
0.26A99.63
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.
5MWY_A_YNUA1101_1
(MINERALOCORTICOID
RECEPTOR)
5j97 CAPRIN-2
(Homo
sapiens)
4 / 6PHE A 314
CYH A 262
THR A 261
PHE A 282
None
1.43A23.75
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.
5MWY_A_YNUA1101_1
(MINERALOCORTICOID
RECEPTOR)
5mwp MINERALOCORTICOID
RECEPTOR
(Homo
sapiens)
6 / 6GLN A 776
ARG A 817
PHE A 829
CYH A 942
THR A 945
PHE A 956
ECV  A1101 (-2.9A)
ECV  A1101 (-4.0A)
ECV  A1101 ( 4.9A)
ECV  A1101 (-4.0A)
ECV  A1101 (-3.2A)
ECV  A1101 ( 4.7A)
0.27Aundetectable
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.
5MWY_A_YNUA1101_1
(MINERALOCORTICOID
RECEPTOR)
5mwp MINERALOCORTICOID
RECEPTOR
(Homo
sapiens)
4 / 6PHE A 835
CYH A 942
THR A 945
PHE A 956
None
ECV  A1101 (-4.0A)
ECV  A1101 (-3.2A)
ECV  A1101 ( 4.7A)
1.14Aundetectable
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.
5MWY_A_YNUA1101_1
(MINERALOCORTICOID
RECEPTOR)
6bhc PSEUDOPODIUM-ENRICHE
D ATYPICAL KINASE 1
(Homo
sapiens)
4 / 6GLN A1664
PHE A1730
CYH A1305
PHE A1706
None
1.38Aundetectable
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.
5MWY_A_YNUA1101_1
(MINERALOCORTICOID
RECEPTOR)
6c0t CGMP-DEPENDENT
PROTEIN KINASE 1
(Homo
sapiens)
4 / 6ARG A 453
PHE A 456
CYH A 467
PHE A 622
None
1.48Aundetectable
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.
5MWY_A_YNUA1101_1
(MINERALOCORTICOID
RECEPTOR)
6f0x MAD2L1-BINDING
PROTEIN
(Homo
sapiens)
4 / 6GLN P 179
PHE P  60
CYH P  74
PHE P 142
None
1.08Aundetectable