Target Binding Site Detail

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Target General Information
Ligand General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T11211 Target Info
Target Name Androgen receptor (AR)
Synonyms Testosterone receptor; Nuclear receptor subfamily 3 group C member 4; NR3C4; Dihydrotestosterone receptor; DHTR
Target Type Successful Target
Gene Name AR
Biochemical Class Nuclear hormone receptor
UniProt ID
ANDR_HUMAN
Ligand General Information  Top
Ligand Name Dihydrotestosterone Ligand Info
Canonical SMILES CC12CCC(=O)CC1CCC3C2CCC4(C3CCC4O)C
InChI 1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1
InChIKey NVKAWKQGWWIWPM-ABEVXSGRSA-N
PubChem Compound ID 10635
Drug Binding Sites of Target  Top
PDB ID: 2AMA      Crystal structure of human androgen receptor ligand binding domain in complex with dihydrotestosterone
Method X-ray diffraction Resolution 1.90 Å Mutation No [1]
PDB Sequence
PIFLNVLEAI
680
EPGVVCAGHD
690
NNQPDSFAAL
700
LSSLNELGER
710
QLVHVVKWAK
720

ALPGFRNLHV
730
DDQMAVIQYS
740
WMGLMVFAMG
750
WRSFTNVNSR
760
MLYFAPDLVF
770

NEYRMHKSRM
780
YSQCVRMRHL
790
SQEFGWLQIT
800
PQEFLCMKAL
810
LLFSIIPVDG
820

LKNQKFFDEL
830
RMNYIKELDR
840
IIATSCSRRF
856
YQLTKLLDSV
866
QPIARELHQF
876

TFDLLIKSHM
886
VSVDFPEMMA
896
EIISVQVPKI
906
LSGKVKPIYF
916
HTQ
Residue
Distance (Å)
LEU701
3.898
LEU704
3.306
ASN705
2.721
LEU707
3.980
GLY708
4.178
GLN711
4.394
TRP741
4.119
MET742
3.783
MET745
3.771
VAL746
4.288
MET749
3.546
Residue
Distance (Å)
ARG752
2.990
PHE764
3.575
MET780
3.578
MET787
4.373
LEU873
3.995
PHE876
3.813
THR877
2.816
LEU880
4.122
PHE891
3.826
MET895
3.708
ILE899
4.956
PDB ID: 1XJ7      Complex Androgen Receptor LBD and RAC3 peptide
Method X-ray diffraction Resolution 2.70 Å Mutation No [2]
PDB Sequence
HIEGYECQPI
672
FLNVLEAIEP
682
GVVCAGHDNN
692
QPDSFAALLS
702
SLNELGERQL
712

VHVVKWAKAL
722
PGFRNLHVDD
732
QMAVIQYSWM
742
GLMVFAMGWR
752
SFTNVNSRML
762

YFAPDLVFNE
772
YRMHKSRMYS
782
QCVRMRHLSQ
792
EFGWLQITPQ
802
EFLCMKALLL
812

FSIIPVDGLK
822
NQKFFDELRM
832
NYIKELDRII
842
ACKRKNPTSC
852
SRRFYQLTKL
862

LDSVQPIARE
872
LHQFTFDLLI
882
KSHMVSVDFP
892
EMMAEIISVQ
902
VPKILSGKVK
912

PIYFHT
Residue
Distance (Å)
LEU701
4.036
LEU704
3.403
ASN705
2.886
LEU707
3.671
GLY708
4.183
GLN711
3.975
TRP741
4.180
MET742
3.853
MET745
3.842
VAL746
4.308
MET749
3.190
Residue
Distance (Å)
ARG752
2.949
PHE764
3.514
MET780
4.461
MET787
4.094
LEU873
3.975
PHE876
3.810
THR877
2.819
LEU880
3.721
PHE891
4.427
ILE899
4.993
PDB ID: 5JJM      Crystal Structure of Homodimeric Androgen Receptor Ligand-Binding Domain bound to DHT and LxxLL peptide
Method X-ray diffraction Resolution 2.15 Å Mutation No [3]
PDB Sequence
> Chain A
ECQPIFLNVL
677
EAIEPGVVCA
687
GHDNNQPDSF
697
AALLSSLNEL
707
GERQLVHVVK
717

WAKALPGFRN
727
LHVDDQMAVI
737
QYSWMGLMVF
747
AMGWRSFTNV
757
NSRMLYFAPD
767

LVFNEYRMHK
777
SRMYSQCVRM
787
RHLSQEFGWL
797
QITPQEFLCM
807
KALLLFSIIP
817

VDGLKNQKFF
827
DELRMNYIKE
837
LDRIIACKRK
847
NPTSCSRRFY
857
QLTKLLDSVQ
867

PIARELHQFT
877
FDLLIKSHMV
887
SVDFPEMMAE
897
IISVQVPKIL
907
SGKVKPIYFH
917

TQ
> Chain B
CQPIFLNVLE
678
AIEPGVVAGH
689
DNNQPDSFAA
699
LLSSLNELGE
709
RQLVHVVKWA
719

KALPGFRNLH
729
VDDQMAVIQY
739
SWMGLMVFAM
749
GWRSFTNVNS
759
RMLYFAPDLV
769

FNEYRMHKSR
779
MYSQCVRMRH
789
LSQEFGWLQI
799
TPQEFLCMKA
809
LLLFSIIPVD
819

GLKNQKFFDE
829
LRMNYIKELD
839
RIIACKRKNP
849
TSCSRRFYQL
859
TKLLDSVQPI
869

ARELHQFTFD
879
LLIKSHMVSV
889
DFPEMMAEII
899
SVQVPKILSG
909
KVKPIYFHTQ
919
Residue [Chain]
Distance (Å)
LEU701[A]
3.788
LEU704[A]
3.523
ASN705[A]
2.706
LEU707[A]
3.874
GLY708[A]
4.004
GLN711[A]
3.278
TRP741[A]
4.012
MET742[A]
3.644
MET745[A]
3.728
VAL746[A]
3.920
MET749[A]
3.616
ARG752[A]
3.019
PHE764[A]
3.742
MET780[A]
3.988
MET787[A]
4.452
LEU873[A]
4.105
PHE876[A]
4.144
THR877[A]
2.753
LEU880[A]
4.352
PHE891[A]
3.731
MET895[A]
3.923
ILE899[A]
4.920
Residue [Chain]
Distance (Å)
LEU701[B]
3.726
LEU704[B]
3.452
ASN705[B]
2.648
LEU707[B]
3.994
GLY708[B]
3.902
GLN711[B]
3.363
TRP741[B]
4.287
MET742[B]
3.638
MET745[B]
3.754
VAL746[B]
3.975
MET749[B]
3.643
ARG752[B]
3.014
PHE764[B]
3.645
MET780[B]
3.809
MET787[B]
4.471
LEU873[B]
4.279
PHE876[B]
4.066
THR877[B]
2.617
LEU880[B]
4.308
PHE891[B]
3.771
MET895[B]
4.038
ILE899[B]
4.945
PDB ID: 1T65      Crystal structure of the androgen receptor ligand binding domain with DHT and a peptide derived form its physiological coactivator GRIP1 NR box 2 bound in a non-helical conformation
Method X-ray diffraction Resolution 1.66 Å Mutation No [2]
PDB Sequence
CQPIFLNVLE
678
AIEPGVVCAG
688
HDNNQPDSFA
698
ALLSSLNELG
708
ERQLVHVVKW
718

AKALPGFRNL
728
HVDDQMAVIQ
738
YSWMGLMVFA
748
MGWRSFTNVN
758
SRMLYFAPDL
768

VFNEYRMHKS
778
RMYSQCVRMR
788
HLSQEFGWLQ
798
ITPQEFLCMK
808
ALLLFSIIPV
818

DGLKNQKFFD
828
ELRMNYIKEL
838
DRIIACKRKN
848
PTSCSRRFYQ
858
LTKLLDSVQP
868

IARELHQFTF
878
DLLIKSHMVS
888
VDFPEMMAEI
898
ISVQVPKILS
908
GKVKPIYFHT
918

Q
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DHT or .DHT2 or .DHT3 or :3DHT;style chemicals stick;color identity;select .A:701 or .A:704 or .A:705 or .A:707 or .A:708 or .A:711 or .A:741 or .A:742 or .A:745 or .A:746 or .A:749 or .A:752 or .A:764 or .A:780 or .A:787 or .A:873 or .A:876 or .A:877 or .A:880 or .A:891 or .A:895 or .A:899; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU701
3.962
LEU704
3.380
ASN705
2.792
LEU707
3.984
GLY708
4.190
GLN711
3.328
TRP741
4.198
MET742
3.759
MET745
3.807
VAL746
4.126
MET749
3.683
Residue
Distance (Å)
ARG752
3.099
PHE764
3.754
MET780
3.665
MET787
4.532
LEU873
4.174
PHE876
3.817
THR877
2.745
LEU880
4.160
PHE891
4.041
MET895
3.701
ILE899
4.889
PDB ID: 2PIT      Androgen receptor LBD with small molecule
Method X-ray diffraction Resolution 1.76 Å Mutation No [4]
PDB Sequence
CQPIFLNVLE
678
AIEPGVVCAG
688
HDNNQPDSFA
698
ALLSSLNELG
708
ERQLVHVVKW
718

AKALPGFRNL
728
HVDDQMAVIQ
738
YSWMGLMVFA
748
MGWRSFTNVN
758
SRMLYFAPDL
768

VFNEYRMHKS
778
RMYSQCVRMR
788
HLSQEFGWLQ
798
ITPQEFLCMK
808
ALLLFSIIPV
818

DGLKNQKFFD
828
ELRMNYIKEL
838
DRIIACKRKN
848
PTSCSRRFYQ
858
LTKLLDSVQP
868

IARELHQFTF
878
DLLIKSHMVS
888
VDFPEMMAEI
898
ISVQVPKILS
908
GKVKPIYFHT
918
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DHT or .DHT2 or .DHT3 or :3DHT;style chemicals stick;color identity;select .A:701 or .A:704 or .A:705 or .A:707 or .A:708 or .A:711 or .A:741 or .A:742 or .A:745 or .A:746 or .A:749 or .A:752 or .A:764 or .A:780 or .A:787 or .A:873 or .A:876 or .A:877 or .A:880 or .A:891 or .A:899; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU701
3.835
LEU704
3.315
ASN705
2.665
LEU707
3.982
GLY708
4.065
GLN711
4.304
TRP741
4.261
MET742
3.736
MET745
3.753
VAL746
4.013
MET749
3.664
Residue
Distance (Å)
ARG752
2.939
PHE764
3.646
MET780
4.147
MET787
4.214
LEU873
3.948
PHE876
3.765
THR877
2.785
LEU880
4.005
PHE891
3.952
ILE899
4.848
PDB ID: 2PIP      Androgen receptor LBD with small molecule
Method X-ray diffraction Resolution 1.80 Å Mutation No [4]
PDB Sequence
QPIFLNVLEA
679
IEPGVVCAGH
689
DNNQPDSFAA
699
LLSSLNELGE
709
RQLVHVVKWA
719

KALPGFRNLH
729
VDDQMAVIQY
739
SWMGLMVFAM
749
GWRSFTNVNS
759
RMLYFAPDLV
769

FNEYRMHKSR
779
MYSQCVRMRH
789
LSQEFGWLQI
799
TPQEFLCMKA
809
LLLFSIIPVD
819

GLKNQKFFDE
829
LRMNYIKELD
839
RIIACKRKNP
849
TSCSRRFYQL
859
TKLLDSVQPI
869

ARELHQFTFD
879
LLIKSHMVSV
889
DFPEMMAEII
899
SVQVPKILSG
909
KVKPIYFHT
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DHT or .DHT2 or .DHT3 or :3DHT;style chemicals stick;color identity;select .L:701 or .L:704 or .L:705 or .L:707 or .L:708 or .L:711 or .L:741 or .L:742 or .L:745 or .L:746 or .L:749 or .L:752 or .L:764 or .L:780 or .L:787 or .L:873 or .L:876 or .L:877 or .L:880 or .L:891; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU701
3.936
LEU704
3.235
ASN705
2.808
LEU707
3.915
GLY708
4.101
GLN711
4.350
TRP741
4.153
MET742
3.851
MET745
3.708
VAL746
4.176
Residue
Distance (Å)
MET749
3.718
ARG752
3.093
PHE764
3.641
MET780
4.319
MET787
4.304
LEU873
4.047
PHE876
3.862
THR877
3.190
LEU880
3.864
PHE891
4.140
PDB ID: 2PIV      Androgen receptor with small molecule
Method X-ray diffraction Resolution 1.95 Å Mutation No [4]
PDB Sequence
QPIFLNVLEA
679
IEPGVVCAGH
689
DNNQPDSFAA
699
LLSSLNELGE
709
RQLVHVVKWA
719

KALPGFRNLH
729
VDDQMAVIQY
739
SWMGLMVFAM
749
GWRSFTNVNS
759
RMLYFAPDLV
769

FNEYRMHKSR
779
MYSQCVRMRH
789
LSQEFGWLQI
799
TPQEFLCMKA
809
LLLFSIIPVD
819

GLKNQKFFDE
829
LRMNYIKELD
839
RIIACKRKNP
849
TSCSRRFYQL
859
TKLLDSVQPI
869

ARELHQFTFD
879
LLIKSHMVSV
889
DFPEMMAEII
899
SVQVPKILSG
909
KVKPIYFHT
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DHT or .DHT2 or .DHT3 or :3DHT;style chemicals stick;color identity;select .A:701 or .A:704 or .A:705 or .A:707 or .A:708 or .A:711 or .A:741 or .A:742 or .A:745 or .A:746 or .A:749 or .A:752 or .A:764 or .A:780 or .A:787 or .A:873 or .A:876 or .A:877 or .A:880 or .A:891 or .A:899; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU701
3.745
LEU704
3.257
ASN705
2.852
LEU707
3.986
GLY708
4.210
GLN711
4.275
TRP741
4.354
MET742
3.737
MET745
3.793
VAL746
3.964
MET749
3.556
Residue
Distance (Å)
ARG752
3.013
PHE764
3.578
MET780
4.330
MET787
4.289
LEU873
4.037
PHE876
3.775
THR877
2.909
LEU880
3.982
PHE891
4.124
ILE899
4.972
PDB ID: 2PIO      Androgen receptor LBD with small molecule
Method X-ray diffraction Resolution 2.03 Å Mutation No [4]
PDB Sequence
PIFLNVLEAI
680
EPGVVCAGHD
690
NNQPDSFAAL
700
LSSLNELGER
710
QLVHVVKWAK
720

ALPGFRNLHV
730
DDQMAVIQYS
740
WMGLMVFAMG
750
WRSFTNVNSR
760
MLYFAPDLVF
770

NEYRMHKSRM
780
YSQCVRMRHL
790
SQEFGWLQIT
800
PQEFLCMKAL
810
LLFSIIPVDG
820

LKNQKFFDEL
830
RMNYIKELDR
840
IIACKRKNPT
850
SCSRRFYQLT
860
KLLDSVQPIA
870

RELHQFTFDL
880
LIKSHMVSVD
890
FPEMMAEIIS
900
VQVPKILSGK
910
VKPIYFHT
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DHT or .DHT2 or .DHT3 or :3DHT;style chemicals stick;color identity;select .A:701 or .A:704 or .A:705 or .A:707 or .A:708 or .A:711 or .A:741 or .A:742 or .A:745 or .A:746 or .A:749 or .A:752 or .A:764 or .A:780 or .A:787 or .A:873 or .A:876 or .A:877 or .A:880 or .A:891 or .A:899; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU701
3.895
LEU704
3.303
ASN705
2.650
LEU707
4.052
GLY708
4.253
GLN711
4.234
TRP741
4.204
MET742
3.750
MET745
3.753
VAL746
4.081
MET749
3.547
Residue
Distance (Å)
ARG752
3.108
PHE764
3.664
MET780
4.315
MET787
4.229
LEU873
4.065
PHE876
3.832
THR877
2.747
LEU880
3.713
PHE891
3.674
ILE899
4.715
PDB ID: 1T63      Crystal Structure of the Androgen Receptor Ligand Binding Domain with DHT and a peptide derived from its physiological coactivator GRIP1 NR box3
Method X-ray diffraction Resolution 2.07 Å Mutation No [2]
PDB Sequence
CQPIFLNVLE
678
AIEPGVVCAG
688
HDNNQPDSFA
698
ALLSSLNELG
708
ERQLVHVVKW
718

AKALPGFRNL
728
HVDDQMAVIQ
738
YSWMGLMVFA
748
MGWRSFTNVN
758
SRMLYFAPDL
768

VFNEYRMHKS
778
RMYSQCVRMR
788
HLSQEFGWLQ
798
ITPQEFLCMK
808
ALLLFSIIPV
818

DGLKNQKFFD
828
ELRMNYIKEL
838
DRIIACKRKN
848
PTSCSRRFYQ
858
LTKLLDSVQP
868

IARELHQFTF
878
DLLIKSHMVS
888
VDFPEMMAEI
898
ISVQVPKILS
908
GKVKPIYFHT
918A
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DHT or .DHT2 or .DHT3 or :3DHT;style chemicals stick;color identity;select .A:701 or .A:704 or .A:705 or .A:707 or .A:708 or .A:711 or .A:741 or .A:742 or .A:745 or .A:746 or .A:749 or .A:752 or .A:764 or .A:780 or .A:787 or .A:873 or .A:876 or .A:877 or .A:880 or .A:891; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU701
3.924
LEU704
3.272
ASN705
2.765
LEU707
3.779
GLY708
4.242
GLN711
3.317
TRP741
4.146
MET742
3.882
MET745
3.718
VAL746
4.096
Residue
Distance (Å)
MET749
3.629
ARG752
3.000
PHE764
3.616
MET780
4.383
MET787
4.459
LEU873
4.029
PHE876
3.799
THR877
2.887
LEU880
4.318
PHE891
4.114
PDB ID: 2PIR      Androgen receptor LBD with small molecule
Method X-ray diffraction Resolution 2.10 Å Mutation No [4]
PDB Sequence
CQPIFLNVLE
678
AIEPGVVCAG
688
HDNNQPDSFA
698
ALLSSLNELG
708
ERQLVHVVKW
718

AKALPGFRNL
728
HVDDQMAVIQ
738
YSWMGLMVFA
748
MGWRSFTNVN
758
SRMLYFAPDL
768

VFNEYRMHKS
778
RMYSQCVRMR
788
HLSQEFGWLQ
798
ITPQEFLCMK
808
ALLLFSIIPV
818

DGLKNQKFFD
828
ELRMNYIKEL
838
DRIIACKRKN
848
PTSCSRRFYQ
858
LTKLLDSVQP
868

IARELHQFTF
878
DLLIKSHMVS
888
VDFPEMMAEI
898
ISVQVPKILS
908
GKVKPIYFHT
918
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DHT or .DHT2 or .DHT3 or :3DHT;style chemicals stick;color identity;select .A:701 or .A:704 or .A:705 or .A:707 or .A:708 or .A:711 or .A:741 or .A:742 or .A:745 or .A:746 or .A:749 or .A:752 or .A:764 or .A:780 or .A:787 or .A:873 or .A:876 or .A:877 or .A:880 or .A:891; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU701
3.785
LEU704
3.353
ASN705
3.014
LEU707
3.934
GLY708
4.226
GLN711
3.949
TRP741
4.223
MET742
4.038
MET745
3.694
VAL746
4.063
Residue
Distance (Å)
MET749
3.784
ARG752
3.157
PHE764
3.807
MET780
3.711
MET787
4.468
LEU873
4.319
PHE876
3.776
THR877
3.233
LEU880
4.017
PHE891
4.284
PDB ID: 2PIU      Androgen receptor LBD with small molecule
Method X-ray diffraction Resolution 2.12 Å Mutation No [4]
PDB Sequence
PIFLNVLEAI
680
EPGVVCAGHD
690
NNQPDSFAAL
700
LSSLNELGER
710
QLVHVVKWAK
720

ALPGFRNLHV
730
DDQMAVIQYS
740
WMGLMVFAMG
750
WRSFTNVNSR
760
MLYFAPDLVF
770

NEYRMHKSRM
780
YSQCVRMRHL
790
SQEFGWLQIT
800
PQEFLCMKAL
810
LLFSIIPVDG
820

LKNQKFFDEL
830
RMNYIKELDR
840
IIACKRKNPT
850
SCSRRFYQLT
860
KLLDSVQPIA
870

RELHQFTFDL
880
LIKSHMVSVD
890
FPEMMAEIIS
900
VQVPKILSGK
910
VKPIYFHT
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DHT or .DHT2 or .DHT3 or :3DHT;style chemicals stick;color identity;select .A:701 or .A:704 or .A:705 or .A:707 or .A:708 or .A:711 or .A:741 or .A:742 or .A:745 or .A:746 or .A:749 or .A:752 or .A:764 or .A:780 or .A:787 or .A:873 or .A:876 or .A:877 or .A:880 or .A:891; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU701
3.813
LEU704
3.257
ASN705
2.808
LEU707
3.946
GLY708
4.195
GLN711
3.195
TRP741
4.361
MET742
3.723
MET745
3.815
VAL746
4.159
Residue
Distance (Å)
MET749
3.693
ARG752
2.935
PHE764
3.612
MET780
4.197
MET787
4.308
LEU873
4.117
PHE876
3.851
THR877
2.846
LEU880
4.071
PHE891
4.084
PDB ID: 1T5Z      Crystal Structure of the Androgen Receptor Ligand Binding Domain (LBD) with DHT and a peptide derived from its physiological coactivator ARA70
Method X-ray diffraction Resolution 2.30 Å Mutation No [2]
PDB Sequence
CQPIFLNVLE
678
AIEPGVVCAG
688
HDNNQPDSFA
698
ALLSSLNELG
708
ERQLVHVVKW
718

AKALPGFRNL
728
HVDDQMAVIQ
738
YSWMGLMVFA
748
MGWRSFTNVN
758
SRMLYFAPDL
768

VFNEYRMHKS
778
RMYSQCVRMR
788
HLSQEFGWLQ
798
ITPQEFLCMK
808
ALLLFSIIPV
818

DGLKNQKFFD
828
ELRMNYIKEL
838
DRIIACKRKN
848
PTSCSRRFYQ
858
LTKLLDSVQP
868

IARELHQFTF
878
DLLIKSHMVS
888
VDFPEMMAEI
898
ISVQVPKILS
908
GKVKPIYFHT
918
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DHT or .DHT2 or .DHT3 or :3DHT;style chemicals stick;color identity;select .A:701 or .A:704 or .A:705 or .A:707 or .A:708 or .A:711 or .A:741 or .A:742 or .A:745 or .A:746 or .A:749 or .A:752 or .A:764 or .A:780 or .A:787 or .A:873 or .A:876 or .A:877 or .A:880 or .A:891 or .A:899; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU701
3.843
LEU704
3.215
ASN705
2.791
LEU707
3.859
GLY708
4.080
GLN711
3.806
TRP741
4.334
MET742
3.822
MET745
3.674
VAL746
3.850
MET749
3.405
Residue
Distance (Å)
ARG752
3.060
PHE764
3.722
MET780
4.163
MET787
4.711
LEU873
4.011
PHE876
3.895
THR877
3.089
LEU880
3.847
PHE891
3.852
ILE899
4.892
PDB ID: 2PIQ      androgen receptor LBD with small molecule
Method X-ray diffraction Resolution 2.40 Å Mutation No [4]
PDB Sequence
QPIFLNVLEA
679
IEPGVVCAGH
689
DNNQPDSFAA
699
LLSSLNELGE
709
RQLVHVVKWA
719

KALPGFRNLH
729
VDDQMAVIQY
739
SWMGLMVFAM
749
GWRSFTNVNS
759
RMLYFAPDLV
769

FNEYRMHKSR
779
MYSQCVRMRH
789
LSQEFGWLQI
799
TPQEFLCMKA
809
LLLFSIIPVD
819

GLKNQKFFDE
829
LRMNYIKELD
839
RIIACKRKNP
849
TSCSRRFYQL
859
TKLLDSVQPI
869

ARELHQFTFD
879
LLIKSHMVSV
889
DFPEMMAEII
899
SVQVPKILSG
909
KVKPIYFHT
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DHT or .DHT2 or .DHT3 or :3DHT;style chemicals stick;color identity;select .A:701 or .A:704 or .A:705 or .A:707 or .A:708 or .A:711 or .A:741 or .A:742 or .A:745 or .A:746 or .A:749 or .A:752 or .A:764 or .A:780 or .A:787 or .A:873 or .A:876 or .A:877 or .A:880 or .A:891 or .A:899; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU701
4.004
LEU704
3.460
ASN705
2.812
LEU707
3.985
GLY708
4.163
GLN711
4.055
TRP741
4.168
MET742
3.590
MET745
3.735
VAL746
4.046
MET749
3.677
Residue
Distance (Å)
ARG752
2.810
PHE764
3.675
MET780
4.466
MET787
4.394
LEU873
4.025
PHE876
3.896
THR877
2.870
LEU880
4.138
PHE891
3.946
ILE899
4.904
PDB ID: 2PIX      AR LBD with small molecule
Method X-ray diffraction Resolution 2.40 Å Mutation No [4]
PDB Sequence
PIFLNVLEAI
680
EPGVVCAGHD
690
NNQPDSFAAL
700
LSSLNELGER
710
QLVHVVKWAK
720

ALPGFRNLHV
730
DDQMAVIQYS
740
WMGLMVFAMG
750
WRSFTNVNSR
760
MLYFAPDLVF
770

NEYRMHKSRM
780
YSQCVRMRHL
790
SQEFGWLQIT
800
PQEFLCMKAL
810
LLFSIIPVDG
820

LKNQKFFDEL
830
RMNYIKELDR
840
IIACKRKNPT
850
SCSRRFYQLT
860
KLLDSVQPIA
870

RELHQFTFDL
880
LIKSHMVSVD
890
FPEMMAEIIS
900
VQVPKILSGK
910
VKPIYFHT
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DHT or .DHT2 or .DHT3 or :3DHT;style chemicals stick;color identity;select .A:701 or .A:704 or .A:705 or .A:707 or .A:708 or .A:711 or .A:741 or .A:742 or .A:745 or .A:746 or .A:749 or .A:752 or .A:764 or .A:780 or .A:787 or .A:873 or .A:876 or .A:877 or .A:880 or .A:891 or .A:899; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU701
3.635
LEU704
3.178
ASN705
2.684
LEU707
4.016
GLY708
4.266
GLN711
3.633
TRP741
4.425
MET742
4.058
MET745
3.845
VAL746
4.212
MET749
3.534
Residue
Distance (Å)
ARG752
3.197
PHE764
3.745
MET780
4.450
MET787
4.416
LEU873
4.139
PHE876
3.672
THR877
3.124
LEU880
3.811
PHE891
3.896
ILE899
4.977
PDB ID: 2PKL      Androgen receptor LBD with small molecule
Method X-ray diffraction Resolution 2.49 Å Mutation No [4]
PDB Sequence
QPIFLNVLEA
679
IEPGVVCAGH
689
DNNQPDSFAA
699
LLSSLNELGE
709
RQLVHVVKWA
719

KALPGFRNLH
729
VDDQMAVIQY
739
SWMGLMVFAM
749
GWRSFTNVNS
759
RMLYFAPDLV
769

FNEYRMHKSR
779
MYSQCVRMRH
789
LSQEFGWLQI
799
TPQEFLCMKA
809
LLLFSIIPVD
819

GLKNQKFFDE
829
LRMNYIKELD
839
RIIACKRKNP
849
TSCSRRFYQL
859
TKLLDSVQPI
869

ARELHQFTFD
879
LLIKSHMVSV
889
DFPEMMAEII
899
SVQVPKILSG
909
KVKPIYFHT
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DHT or .DHT2 or .DHT3 or :3DHT;style chemicals stick;color identity;select .A:701 or .A:704 or .A:705 or .A:707 or .A:708 or .A:711 or .A:741 or .A:742 or .A:745 or .A:746 or .A:749 or .A:752 or .A:764 or .A:780 or .A:787 or .A:873 or .A:876 or .A:877 or .A:880 or .A:891 or .A:899; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU701
3.879
LEU704
3.254
ASN705
2.865
LEU707
3.779
GLY708
4.088
GLN711
3.457
TRP741
4.324
MET742
3.661
MET745
3.892
VAL746
3.888
MET749
3.509
Residue
Distance (Å)
ARG752
2.896
PHE764
3.532
MET780
4.470
MET787
4.463
LEU873
4.042
PHE876
3.763
THR877
2.684
LEU880
3.860
PHE891
3.973
ILE899
4.667
PDB ID: 2PIW      Androgen receptor with small molecule
Method X-ray diffraction Resolution 2.58 Å Mutation No [4]
PDB Sequence
PIFLNVLEAI
680
EPGVVCAGHD
690
NNQPDSFAAL
700
LSSLNELGER
710
QLVHVVKWAK
720

ALPGFRNLHV
730
DDQMAVIQYS
740
WMGLMVFAMG
750
WRSFTNVNSR
760
MLYFAPDLVF
770

NEYRMHKSRM
780
YSQCVRMRHL
790
SQEFGWLQIT
800
PQEFLCMKAL
810
LLFSIIPVDG
820

LKNQKFFDEL
830
RMNYIKELDR
840
IIACKRKNPT
850
SCSRRFYQLT
860
KLLDSVQPIA
870

RELHQFTFDL
880
LIKSHMVSVD
890
FPEMMAEIIS
900
VQVPKILSGK
910
VKPIYFHT
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DHT or .DHT2 or .DHT3 or :3DHT;style chemicals stick;color identity;select .A:701 or .A:704 or .A:705 or .A:707 or .A:708 or .A:711 or .A:741 or .A:742 or .A:745 or .A:746 or .A:749 or .A:752 or .A:764 or .A:780 or .A:787 or .A:873 or .A:876 or .A:877 or .A:880 or .A:891 or .A:899; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU701
3.971
LEU704
3.365
ASN705
2.860
LEU707
4.004
GLY708
3.956
GLN711
3.739
TRP741
4.299
MET742
3.679
MET745
3.868
VAL746
4.176
MET749
3.817
Residue
Distance (Å)
ARG752
2.943
PHE764
3.684
MET780
4.426
MET787
4.280
LEU873
3.772
PHE876
3.753
THR877
2.930
LEU880
3.731
PHE891
3.913
ILE899
4.991
PDB ID: 3L3X      Crystal structure of DHT-bound androgen receptor in complex with the first motif of steroid receptor coactivator 3
Method X-ray diffraction Resolution 1.55 Å Mutation No [5]
PDB Sequence
SQPIFLNVLE
678
AIEPGVVCAG
688
HDNNQPDSFA
698
ALLSSLNELG
708
ERQLVHVVKW
718

AKALPGFRNL
728
HVDDQMAVIQ
738
YSWMGLMVFA
748
MGWRSFTNVN
758
SRMLYFAPDL
768

VFNEYRMHKS
778
RMYSQCVRMR
788
HLSQEFGWLQ
798
ITPQEFLCMK
808
ALLLFSIIPV
818

DGLKNQKFFD
828
ELRMNYIKEL
838
DRIIACKRKN
848
PTSCSRRFYQ
858
LTKLLDSVQP
868

IARELHQFTF
878
DLLIKSHMVS
888
VDFPEMMAEI
898
ISVQVPKILS
908
GKVKPIYFHT
918
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DHT or .DHT2 or .DHT3 or :3DHT;style chemicals stick;color identity;select .A:701 or .A:704 or .A:705 or .A:707 or .A:708 or .A:711 or .A:741 or .A:742 or .A:745 or .A:746 or .A:749 or .A:752 or .A:764 or .A:780 or .A:787 or .A:873 or .A:876 or .A:877 or .A:880 or .A:891 or .A:895; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU701
3.806
LEU704
3.373
ASN705
2.688
LEU707
3.922
GLY708
4.063
GLN711
3.282
TRP741
4.184
MET742
3.775
MET745
3.675
VAL746
3.960
MET749
3.610
Residue
Distance (Å)
ARG752
3.043
PHE764
3.721
MET780
3.914
MET787
4.353
LEU873
4.188
PHE876
3.770
THR877
2.632
LEU880
4.045
PHE891
3.977
MET895
3.703
PDB ID: 4OEZ      Crystal structure of AR-LBD bound with co-regulator peptide
Method X-ray diffraction Resolution 1.80 Å Mutation Yes [6]
PDB Sequence
QPIFLNVLEA
679
IEPGVVCAGH
689
DNNQPDSFAA
699
LLSSLNELGE
709
RQLVHVVKWA
719

KALPGFRNLH
729
VDDQMAVIQY
739
SWMGLMVFAM
749
GWRSFTNVNS
759
AMLYFAPDLV
769

FNEYRMHKSR
779
MYSQCVRMRH
789
LSQEFGWLQI
799
TPQEFLCMKA
809
LLLFSIIPVD
819

GLKNQKFFDE
829
LRMNYIKELD
839
RIIASCSRRF
856
YQLTKLLDSV
866
QPIARELHQF
876

TFDLLIKSHM
886
VSVDFPEMMA
896
EIISVQVPKI
906
LSGKVKPIYF
916
HT
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DHT or .DHT2 or .DHT3 or :3DHT;style chemicals stick;color identity;select .A:701 or .A:704 or .A:705 or .A:707 or .A:708 or .A:711 or .A:741 or .A:742 or .A:745 or .A:746 or .A:749 or .A:752 or .A:764 or .A:780 or .A:787 or .A:873 or .A:876 or .A:877 or .A:880 or .A:891 or .A:895 or .A:899; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU701
3.712
LEU704
3.256
ASN705
2.723
LEU707
3.968
GLY708
3.974
GLN711
3.217
TRP741
4.106
MET742
3.766
MET745
3.583
VAL746
4.059
MET749
3.582
Residue
Distance (Å)
ARG752
2.910
PHE764
3.689
MET780
3.786
MET787
4.412
LEU873
3.918
PHE876
3.976
THR877
2.768
LEU880
4.074
PHE891
4.062
MET895
4.859
ILE899
4.864
PDB ID: 4OEY      Crystal structure of AR-LBD bound with co-regulator peptide
Method X-ray diffraction Resolution 1.83 Å Mutation Yes [6]
PDB Sequence
PIFLNVLEAI
680
EPGVVCAGHD
690
NNQPDSFAAL
700
LSSLNELGER
710
QLVHVVKWAK
720

ALPGFRNLHV
730
DDQMAVIQYS
740
WMGLMVFAMG
750
WRSFTNVNSA
760
MLYFAPDLVF
770

NEYRMHKSRM
780
YSQCVRMRHL
790
SQEFGWLQIT
800
PQEFLCMKAL
810
LLFSIIPVDG
820

LKNQKFFDEL
830
RMNYIKELDR
840
IIASCSRRFY
857
QLTKLLDSVQ
867
PIARELHQFT
877

FDLLIKSHMV
887
SVDFPEMMAE
897
IISVQVPKIL
907
SGKVKPIYFH
917
T
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DHT or .DHT2 or .DHT3 or :3DHT;style chemicals stick;color identity;select .A:701 or .A:704 or .A:705 or .A:707 or .A:708 or .A:711 or .A:741 or .A:742 or .A:745 or .A:746 or .A:749 or .A:752 or .A:764 or .A:780 or .A:787 or .A:873 or .A:876 or .A:877 or .A:880 or .A:891 or .A:895; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU701
3.735
LEU704
3.368
ASN705
2.536
LEU707
3.892
GLY708
4.023
GLN711
3.204
TRP741
4.184
MET742
3.716
MET745
3.584
VAL746
4.153
MET749
3.637
Residue
Distance (Å)
ARG752
2.915
PHE764
3.694
MET780
3.828
MET787
4.463
LEU873
4.166
PHE876
3.875
THR877
2.790
LEU880
4.151
PHE891
3.973
MET895
3.952
PDB ID: 3L3Z      Crystal structure of DHT-bound androgen receptor in complex with the third motif of steroid receptor coactivator 3
Method X-ray diffraction Resolution 2.00 Å Mutation No [5]
PDB Sequence
SQPIFLNVLE
678
AIEPGVVCAG
688
HDNNQPDSFA
698
ALLSSLNELG
708
ERQLVHVVKW
718

AKALPGFRNL
728
HVDDQMAVIQ
738
YSWMGLMVFA
748
MGWRSFTNVN
758
SRMLYFAPDL
768

VFNEYRMHKS
778
RMYSQCVRMR
788
HLSQEFGWLQ
798
ITPQEFLCMK
808
ALLLFSIIPV
818

DGLKNQKFFD
828
ELRMNYIKEL
838
DRIIACKKNP
849
TSCSRRFYQL
859
TKLLDSVQPI
869

ARELHQFTFD
879
LLIKSHMVSV
889
DFPEMMAEII
899
SVQVPKILSG
909
KVKPIYFHT
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DHT or .DHT2 or .DHT3 or :3DHT;style chemicals stick;color identity;select .A:701 or .A:704 or .A:705 or .A:707 or .A:708 or .A:711 or .A:741 or .A:742 or .A:745 or .A:746 or .A:749 or .A:752 or .A:764 or .A:780 or .A:787 or .A:873 or .A:876 or .A:877 or .A:880 or .A:891 or .A:895; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU701
3.871
LEU704
3.404
ASN705
2.807
LEU707
3.776
GLY708
4.088
GLN711
3.325
TRP741
4.132
MET742
3.718
MET745
3.748
VAL746
4.146
MET749
3.528
Residue
Distance (Å)
ARG752
3.028
PHE764
3.701
MET780
3.911
MET787
4.272
LEU873
4.130
PHE876
3.886
THR877
2.873
LEU880
4.021
PHE891
4.069
MET895
3.792
PDB ID: 4OEA      Crystal structure of AR-LBD
Method X-ray diffraction Resolution 2.12 Å Mutation Yes [6]
PDB Sequence
QPIFLNVLEA
679
IEPGVVCAGH
689
DNNQPDSFAA
699
LLSSLNELGE
709
RQLVHVVKWA
719

KALPGFRNLH
729
VDDQMAVIQY
739
SWMGLMVFAM
749
GWRSFTNVNS
759
AMLYFAPDLV
769

FNEYRMHKSR
779
MYSQCVRMRH
789
LSQEFGWLQI
799
TPQEFLCMKA
809
LLLFSIIPVD
819

GLKNQKFFDE
829
LRMNYIKELD
839
RIIASCSRRF
856
YQLTKLLDSV
866
QPIARELHQF
876

TFDLLIKSHM
886
VSVDFPEMMA
896
EIISVQVPKI
906
LSGKVKPIYF
916
HT
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DHT or .DHT2 or .DHT3 or :3DHT;style chemicals stick;color identity;select .A:701 or .A:704 or .A:705 or .A:707 or .A:708 or .A:711 or .A:741 or .A:742 or .A:745 or .A:746 or .A:749 or .A:752 or .A:764 or .A:780 or .A:787 or .A:873 or .A:876 or .A:877 or .A:880 or .A:891 or .A:895 or .A:899; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU701
3.808
LEU704
3.439
ASN705
2.658
LEU707
4.018
GLY708
4.164
GLN711
3.379
TRP741
4.235
MET742
3.858
MET745
3.681
VAL746
4.123
MET749
3.577
Residue
Distance (Å)
ARG752
2.996
PHE764
3.594
MET780
3.885
MET787
4.397
LEU873
4.054
PHE876
3.780
THR877
2.687
LEU880
4.200
PHE891
3.927
MET895
3.800
ILE899
4.943
PDB ID: 4OFU      Crystal structure of AR-LBD bound with co-regulator peptide
Method X-ray diffraction Resolution 2.12 Å Mutation Yes [6]
PDB Sequence
PIFLNVLEAI
680
EPGVVCAGHD
690
NNQPDSFAAL
700
LSSLNELGER
710
QLVHVVKWAK
720

ALPGFRNLHV
730
DDQMAVIQYS
740
WMGLMVFAMG
750
WRSFTNVNSA
760
MLYFAPDLVF
770

NEYRMHKSRM
780
YSQCVRMRHL
790
SQEFGWLQIT
800
PQEFLCMKAL
810
LLFSIIPVDG
820

LKNQKFFDEL
830
RMNYIKELDR
840
IIASCSRRFY
857
QLTKLLDSVQ
867
PIARELHQFT
877

FDLLIKSHMV
887
SVDFPEMMAE
897
IISVQVPKIL
907
SGKVKPIYFH
917
T
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DHT or .DHT2 or .DHT3 or :3DHT;style chemicals stick;color identity;select .A:701 or .A:704 or .A:705 or .A:707 or .A:708 or .A:711 or .A:741 or .A:742 or .A:745 or .A:746 or .A:749 or .A:752 or .A:764 or .A:780 or .A:787 or .A:873 or .A:876 or .A:877 or .A:880 or .A:891 or .A:895 or .A:899; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU701
3.839
LEU704
3.335
ASN705
2.695
LEU707
4.079
GLY708
4.296
GLN711
3.422
TRP741
4.231
MET742
3.850
MET745
3.846
VAL746
3.971
MET749
3.629
Residue
Distance (Å)
ARG752
2.881
PHE764
3.640
MET780
4.038
MET787
4.296
LEU873
3.859
PHE876
3.901
THR877
2.635
LEU880
4.267
PHE891
3.781
MET895
3.866
ILE899
4.889
PDB ID: 4OFR      Crystal structure of AR-LBD bound with co-regulator peptide
Method X-ray diffraction Resolution 2.26 Å Mutation Yes [6]
PDB Sequence
PIFLNVLEAI
680
EPGVVCAGHD
690
NNQPDSFAAL
700
LSSLNELGER
710
QLVHVVKWAK
720

ALPGFRNLHV
730
DDQMAVIQYS
740
WMGLMVFAMG
750
WRSFTNVNSA
760
MLYFAPDLVF
770

NEYRMHKSRM
780
YSQCVRMRHL
790
SQEFGWLQIT
800
PQEFLCMKAL
810
LLFSIIPVDG
820

LKNQKFFDEL
830
RMNYIKELDR
840
IIAPTSCSRR
855
FYQLTKLLDS
865
VQPIARELHQ
875

FTFDLLIKSH
885
MVSVDFPEMM
895
AEIISVQVPK
905
ILSGKVKPIY
915
FHT
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DHT or .DHT2 or .DHT3 or :3DHT;style chemicals stick;color identity;select .A:701 or .A:704 or .A:705 or .A:707 or .A:708 or .A:711 or .A:741 or .A:742 or .A:745 or .A:746 or .A:749 or .A:752 or .A:764 or .A:780 or .A:787 or .A:873 or .A:876 or .A:877 or .A:880 or .A:891 or .A:895; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU701
3.775
LEU704
3.404
ASN705
2.756
LEU707
3.896
GLY708
3.888
GLN711
3.087
TRP741
4.246
MET742
3.799
MET745
3.753
VAL746
3.992
MET749
3.701
Residue
Distance (Å)
ARG752
3.072
PHE764
3.671
MET780
3.978
MET787
4.554
LEU873
3.731
PHE876
3.855
THR877
2.663
LEU880
4.130
PHE891
3.992
MET895
4.262
PDB ID: 4OED      Crystal structure of AR-LBD bound with co-regulator peptide
Method X-ray diffraction Resolution 2.79 Å Mutation Yes [6]
PDB Sequence
QPIFLNVLEA
679
IEPGVVCAGH
689
DNNQPDSFAA
699
LLSSLNELGE
709
RQLVHVVKWA
719

KALPGFRNLH
729
VDDQMAVIQY
739
SWMGLMVFAM
749
GWRSFTNVNS
759
AMLYFAPDLV
769

FNEYRMHKSR
779
MYSQCVRMRH
789
LSQEFGWLQI
799
TPQEFLCMKA
809
LLLFSIIPVD
819

GLKNQKFFDE
829
LRMNYIKELD
839
RIIASCSRRF
856
YQLTKLLDSV
866
QPIARELHQF
876

TFDLLIKSHM
886
VSVDFPEMMA
896
EIISVQVPKI
906
LSGKVKPIYF
916
HT
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DHT or .DHT2 or .DHT3 or :3DHT;style chemicals stick;color identity;select .A:701 or .A:704 or .A:705 or .A:707 or .A:708 or .A:711 or .A:741 or .A:742 or .A:745 or .A:746 or .A:749 or .A:752 or .A:764 or .A:780 or .A:787 or .A:873 or .A:876 or .A:877 or .A:880 or .A:891 or .A:899; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU701
3.850
LEU704
3.130
ASN705
2.558
LEU707
3.777
GLY708
3.787
GLN711
3.186
TRP741
3.982
MET742
3.875
MET745
3.716
VAL746
4.227
MET749
3.519
Residue
Distance (Å)
ARG752
3.123
PHE764
3.484
MET780
3.997
MET787
4.367
LEU873
3.669
PHE876
3.971
THR877
2.715
LEU880
3.804
PHE891
3.775
ILE899
4.874
PDB ID: 4K7A      Crystal structure of the androgen receptor ligand binding domain in complex with minoxidil
Method X-ray diffraction Resolution 2.44 Å Mutation No [7]
PDB Sequence
QPIFLNVLEA
679
IEPGVVCAGH
689
DNNQPDSFAA
699
LLSSLNELGE
709
RQLVHVVKWA
719

KALPGFRNLH
729
VDDQMAVIQY
739
SWMGLMVFAM
749
GWRSFTNVNS
759
AMLYFAPDLV
769

FNEYRMHKSR
779
MYSQCVRMRH
789
LSQEFGWLQI
799
TPQEFLCMKA
809
LLLFSIIPVD
819

GLKNQKFFDE
829
LRMNYIKELD
839
RIIASCSRRF
856
YQLTKLLDSV
866
QPIARELHQF
876

TFDLLIKSHM
886
VSVDFPEMMA
896
EIISVQVPKI
906
LSGKVKPIYF
916
HT
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DHT or .DHT2 or .DHT3 or :3DHT;style chemicals stick;color identity;select .A:701 or .A:704 or .A:705 or .A:707 or .A:708 or .A:711 or .A:741 or .A:742 or .A:745 or .A:746 or .A:749 or .A:752 or .A:764 or .A:780 or .A:787 or .A:873 or .A:876 or .A:877 or .A:880 or .A:891 or .A:895 or .A:899; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU701
3.838
LEU704
3.395
ASN705
2.618
LEU707
3.703
GLY708
3.990
GLN711
3.442
TRP741
4.100
MET742
3.864
MET745
3.769
VAL746
4.262
MET749
3.735
Residue
Distance (Å)
ARG752
2.877
PHE764
3.795
MET780
3.874
MET787
4.433
LEU873
3.901
PHE876
3.993
THR877
2.887
LEU880
4.112
PHE891
4.197
MET895
3.928
ILE899
4.847
PDB ID: 2Z4J      Crystal structure of AR LBD with SHP peptide NR Box 2
Method X-ray diffraction Resolution 2.60 Å Mutation No [8]
PDB Sequence
PIFLNVLEAI
680
EPGVVCAGHD
690
NNQPDSFAAL
700
LSSLNELGER
710
QLVHVVKWAK
720

ALPGFRNLHV
730
DDQMAVIQYS
740
WMGLMVFAMG
750
WRSFTNVNSR
760
MLYFAPDLVF
770

NEYRMHKSRM
780
YSQCVRMRHL
790
SQEFGWLQIT
800
PQEFLCMKAL
810
LLFSIIPVDG
820

LKNQKFFDEL
830
RMNYIKELDR
840
IIACKRKNPT
850
SCSRRFYQLT
860
KLLDSVQPIA
870

RELHQFTFDL
880
LIKSHMVSVD
890
FPEMMAEIIS
900
VQVPKILSGK
910
VKPIYFHT
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DHT or .DHT2 or .DHT3 or :3DHT;style chemicals stick;color identity;select .A:701 or .A:704 or .A:705 or .A:707 or .A:708 or .A:711 or .A:741 or .A:742 or .A:745 or .A:746 or .A:749 or .A:752 or .A:764 or .A:780 or .A:787 or .A:873 or .A:876 or .A:877 or .A:880 or .A:891 or .A:899; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU701
3.859
LEU704
3.473
ASN705
2.790
LEU707
4.056
GLY708
4.025
GLN711
3.455
TRP741
4.400
MET742
3.696
MET745
3.864
VAL746
3.927
MET749
3.349
Residue
Distance (Å)
ARG752
2.976
PHE764
3.570
MET780
4.290
MET787
4.352
LEU873
3.941
PHE876
3.780
THR877
2.649
LEU880
3.544
PHE891
4.195
ILE899
4.879
References  Top
REF 1 Comparison of crystal structures of human androgen receptor ligand-binding domain complexed with various agonists reveals molecular determinants responsible for binding affinity. Protein Sci. 2006 May;15(5):987-99.
REF 2 The molecular mechanisms of coactivator utilization in ligand-dependent transactivation by the androgen receptor. J Biol Chem. 2005 Mar 4;280(9):8060-8.
REF 3 Structure of the homodimeric androgen receptor ligand-binding domain. Nat Commun. 2017 Feb 6;8:14388.
REF 4 A surface on the androgen receptor that allosterically regulates coactivator binding. Proc Natl Acad Sci U S A. 2007 Oct 9;104(41):16074-9.
REF 5 Identification of SRC3/AIB1 as a preferred coactivator for hormone-activated androgen receptor. J Biol Chem. 2010 Mar 19;285(12):9161-71.
REF 6 Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis. Mol Oncol. 2014 Dec;8(8):1575-87.
REF 7 Crystal structure of the androgen receptor ligand binding domain in complex with minoxidil
REF 8 Interaction between the androgen receptor and a segment of its corepressor SHP. Acta Crystallogr D Biol Crystallogr. 2007 Nov;63(Pt 11):1198-200.

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