eF-site ID 2amb-A
PDB Code 2amb
Chain A

click to enlarge
Title Crystal structure of human androgen receptor ligand binding domain in complex with tetrahydrogestrinone
Classification Hormone/Growth Factor Receptor
Compound Androgen receptor
Source Homo sapiens (Human) (ANDR_HUMAN)
Sequence A:  PIFLNVLEAIEPGVVCAGHDNNQPDSFAALLSSLNELGER
QLVHVVKWAKALPGFRNLHVDDQMAVIQYSWMGLMVFAMG
WRSFTNVNSRMLYFAPDLVFNEYRMHKSRMYSQCVRMRHL
SQEFGWLQITPQEFLCMKALLLFSIIPVDGLKNQKFFDEL
RMNYIKELDRIIACKRTSCSRRFYQLTKLLDSVQPIAREL
HQFTFDLLIKSHMVSVDFPEMMAEIISVQVPKILSGKVKP
IYFHTQ
Description (1)  Androgen receptor


Functional site

1) chain A
residue 696
type
ligand
sequence S
description BINDING SITE FOR RESIDUE SO4 A 1002
source : AC1

2) chain A
residue 697
type
ligand
sequence F
description BINDING SITE FOR RESIDUE SO4 A 1002
source : AC1

3) chain A
residue 777
type
ligand
sequence K
description BINDING SITE FOR RESIDUE SO4 A 1002
source : AC1

4) chain A
residue 779
type
ligand
sequence R
description BINDING SITE FOR RESIDUE SO4 A 1002
source : AC1

5) chain A
residue 853
type
ligand
sequence S
description BINDING SITE FOR RESIDUE SO4 A 1002
source : AC1

6) chain A
residue 704
type
ligand
sequence L
description BINDING SITE FOR RESIDUE 17H A 1001
source : AC2

7) chain A
residue 705
type
ligand
sequence N
description BINDING SITE FOR RESIDUE 17H A 1001
source : AC2

8) chain A
residue 707
type
ligand
sequence L
description BINDING SITE FOR RESIDUE 17H A 1001
source : AC2

9) chain A
residue 711
type
ligand
sequence Q
description BINDING SITE FOR RESIDUE 17H A 1001
source : AC2

10) chain A
residue 741
type
ligand
sequence W
description BINDING SITE FOR RESIDUE 17H A 1001
source : AC2

11) chain A
residue 745
type
ligand
sequence M
description BINDING SITE FOR RESIDUE 17H A 1001
source : AC2

12) chain A
residue 749
type
ligand
sequence M
description BINDING SITE FOR RESIDUE 17H A 1001
source : AC2

13) chain A
residue 752
type
ligand
sequence R
description BINDING SITE FOR RESIDUE 17H A 1001
source : AC2

14) chain A
residue 877
type
ligand
sequence T
description BINDING SITE FOR RESIDUE 17H A 1001
source : AC2

15) chain A
residue 880
type
ligand
sequence L
description BINDING SITE FOR RESIDUE 17H A 1001
source : AC2

16) chain A
residue 686
type
ligand
sequence C
description BINDING SITE FOR RESIDUE DTT A 1003
source : AC3

17) chain A
residue 766
type
ligand
sequence P
description BINDING SITE FOR RESIDUE DTT A 1003
source : AC3

18) chain A
residue 798
type
ligand
sequence Q
description BINDING SITE FOR RESIDUE DTT A 1003
source : AC3

19) chain A
residue 799
type
ligand
sequence I
description BINDING SITE FOR RESIDUE DTT A 1003
source : AC3

20) chain A
residue 800
type
ligand
sequence T
description BINDING SITE FOR RESIDUE DTT A 1003
source : AC3

21) chain A
residue 789
type
ligand
sequence H
description BINDING SITE FOR RESIDUE EPE A 1004
source : AC4

22) chain A
residue 796
type
ligand
sequence W
description BINDING SITE FOR RESIDUE EPE A 1004
source : AC4

23) chain A
residue 821
type
ligand
sequence L
description BINDING SITE FOR RESIDUE EPE A 1004
source : AC4

24) chain A
residue 822
type
ligand
sequence K
description BINDING SITE FOR RESIDUE EPE A 1004
source : AC4

25) chain A
residue 823
type
ligand
sequence N
description BINDING SITE FOR RESIDUE EPE A 1004
source : AC4

26) chain A
residue 824
type
ligand
sequence Q
description BINDING SITE FOR RESIDUE EPE A 1004
source : AC4

27) chain A
residue 682
type
ligand
sequence P
description BINDING SITE FOR RESIDUE GOL A 1005
source : AC5

28) chain A
residue 711
type
ligand
sequence Q
description BINDING SITE FOR RESIDUE GOL A 1005
source : AC5

29) chain A
residue 745
type
ligand
sequence M
description BINDING SITE FOR RESIDUE GOL A 1005
source : AC5

30) chain A
residue 752
type
ligand
sequence R
description BINDING SITE FOR RESIDUE GOL A 1005
source : AC5

31) chain A
residue 681-683
type binding
ligand GOL: GLYCEROL
sequence EPG
description GLYCEROL binding site
source pdb_hetatom : GOL_2amb_A_1005

32) chain A
residue 685
type binding
ligand GOL: GLYCEROL
sequence V
description GLYCEROL binding site
source pdb_hetatom : GOL_2amb_A_1005

33) chain A
residue 711
type binding
ligand GOL: GLYCEROL
sequence Q
description GLYCEROL binding site
source pdb_hetatom : GOL_2amb_A_1005

34) chain A
residue 715
type binding
ligand GOL: GLYCEROL
sequence V
description GLYCEROL binding site
source pdb_hetatom : GOL_2amb_A_1005

35) chain A
residue 744-745
type binding
ligand GOL: GLYCEROL
sequence LM
description GLYCEROL binding site
source pdb_hetatom : GOL_2amb_A_1005

36) chain A
residue 748
type binding
ligand GOL: GLYCEROL
sequence A
description GLYCEROL binding site
source pdb_hetatom : GOL_2amb_A_1005

37) chain A
residue 752
type binding
ligand GOL: GLYCEROL
sequence R
description GLYCEROL binding site
source pdb_hetatom : GOL_2amb_A_1005

38) chain A
residue 808
type binding
ligand GOL: GLYCEROL
sequence K
description GLYCEROL binding site
source pdb_hetatom : GOL_2amb_A_1005

39) chain A
residue 684-687
type binding
ligand DTT: 2,3-DIHYDROXY-1,4-DITHIOBUTANE
sequence VVCA
description 2,3-DIHYDROXY-1,4-DITHIOBUTANE binding site
source pdb_hetatom : DTT_2amb_A_1003

40) chain A
residue 766-767
type binding
ligand DTT: 2,3-DIHYDROXY-1,4-DITHIOBUTANE
sequence PD
description 2,3-DIHYDROXY-1,4-DITHIOBUTANE binding site
source pdb_hetatom : DTT_2amb_A_1003

41) chain A
residue 701
type binding
ligand 17H: 17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-PREGNA-4,9,11-TRIEN-3-ONE
sequence L
description 17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-PREGNA-4,9,11-TRIEN-3-ONE binding site
source pdb_hetatom : 17H_2amb_A_1001

42) chain A
residue 704-705
type binding
ligand 17H: 17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-PREGNA-4,9,11-TRIEN-3-ONE
sequence LN
description 17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-PREGNA-4,9,11-TRIEN-3-ONE binding site
source pdb_hetatom : 17H_2amb_A_1001

43) chain A
residue 707-708
type binding
ligand 17H: 17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-PREGNA-4,9,11-TRIEN-3-ONE
sequence LG
description 17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-PREGNA-4,9,11-TRIEN-3-ONE binding site
source pdb_hetatom : 17H_2amb_A_1001

44) chain A
residue 711
type binding
ligand 17H: 17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-PREGNA-4,9,11-TRIEN-3-ONE
sequence Q
description 17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-PREGNA-4,9,11-TRIEN-3-ONE binding site
source pdb_hetatom : 17H_2amb_A_1001

45) chain A
residue 741-742
type binding
ligand 17H: 17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-PREGNA-4,9,11-TRIEN-3-ONE
sequence WM
description 17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-PREGNA-4,9,11-TRIEN-3-ONE binding site
source pdb_hetatom : 17H_2amb_A_1001

46) chain A
residue 745-746
type binding
ligand 17H: 17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-PREGNA-4,9,11-TRIEN-3-ONE
sequence MV
description 17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-PREGNA-4,9,11-TRIEN-3-ONE binding site
source pdb_hetatom : 17H_2amb_A_1001

47) chain A
residue 749
type binding
ligand 17H: 17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-PREGNA-4,9,11-TRIEN-3-ONE
sequence M
description 17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-PREGNA-4,9,11-TRIEN-3-ONE binding site
source pdb_hetatom : 17H_2amb_A_1001

48) chain A
residue 752
type binding
ligand 17H: 17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-PREGNA-4,9,11-TRIEN-3-ONE
sequence R
description 17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-PREGNA-4,9,11-TRIEN-3-ONE binding site
source pdb_hetatom : 17H_2amb_A_1001

49) chain A
residue 764
type binding
ligand 17H: 17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-PREGNA-4,9,11-TRIEN-3-ONE
sequence F
description 17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-PREGNA-4,9,11-TRIEN-3-ONE binding site
source pdb_hetatom : 17H_2amb_A_1001

50) chain A
residue 780
type binding
ligand 17H: 17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-PREGNA-4,9,11-TRIEN-3-ONE
sequence M
description 17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-PREGNA-4,9,11-TRIEN-3-ONE binding site
source pdb_hetatom : 17H_2amb_A_1001

51) chain A
residue 787
type binding
ligand 17H: 17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-PREGNA-4,9,11-TRIEN-3-ONE
sequence M
description 17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-PREGNA-4,9,11-TRIEN-3-ONE binding site
source pdb_hetatom : 17H_2amb_A_1001

52) chain A
residue 873
type binding
ligand 17H: 17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-PREGNA-4,9,11-TRIEN-3-ONE
sequence L
description 17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-PREGNA-4,9,11-TRIEN-3-ONE binding site
source pdb_hetatom : 17H_2amb_A_1001

53) chain A
residue 876-877
type binding
ligand 17H: 17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-PREGNA-4,9,11-TRIEN-3-ONE
sequence FT
description 17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-PREGNA-4,9,11-TRIEN-3-ONE binding site
source pdb_hetatom : 17H_2amb_A_1001

54) chain A
residue 880
type binding
ligand 17H: 17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-PREGNA-4,9,11-TRIEN-3-ONE
sequence L
description 17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-PREGNA-4,9,11-TRIEN-3-ONE binding site
source pdb_hetatom : 17H_2amb_A_1001

55) chain A
residue 891
type binding
ligand 17H: 17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-PREGNA-4,9,11-TRIEN-3-ONE
sequence F
description 17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-PREGNA-4,9,11-TRIEN-3-ONE binding site
source pdb_hetatom : 17H_2amb_A_1001

56) chain A
residue 895
type binding
ligand 17H: 17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-PREGNA-4,9,11-TRIEN-3-ONE
sequence M
description 17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-PREGNA-4,9,11-TRIEN-3-ONE binding site
source pdb_hetatom : 17H_2amb_A_1001

57) chain A
residue 899
type binding
ligand 17H: 17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-PREGNA-4,9,11-TRIEN-3-ONE
sequence I
description 17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-PREGNA-4,9,11-TRIEN-3-ONE binding site
source pdb_hetatom : 17H_2amb_A_1001

58) chain A
residue 789
type binding
ligand EPE: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID
sequence H
description 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID binding site
source pdb_hetatom : EPE_2amb_A_1004

59) chain A
residue 793
type binding
ligand EPE: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID
sequence E
description 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID binding site
source pdb_hetatom : EPE_2amb_A_1004

60) chain A
residue 796
type binding
ligand EPE: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID
sequence W
description 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID binding site
source pdb_hetatom : EPE_2amb_A_1004


Display surface

Download
Links