eF-site ID 4g1y-AB
PDB Code 4g1y
Chain A, B

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Title Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor
Classification transcription/transcription inhibitor
Compound Vitamin D3 receptor A
Source Homo sapiens (Human) (NCOA1_HUMAN)
Sequence A:  HMLSDEQMQIINSLVEAHHKTYDDSYSDFVRFRPPVRRLS
MLPHLADLVSYSIQKVIGFAKMIPGFRDLTAEDQIALLKS
SAIEIIMLRSNQSFSLEDMSWSCGGPDFKYCINDVTKAGH
TLELLEPLVKFQVGLKKLKLHEEEHVLLMAICLLSPDRPG
VQDHVRIEALQDRLCDVLQAYIRIQHPGGRLLYAKMIQKL
ADLRSLNEEHSKQYRSLSFQPEHSMQLTPLVLEVFGSEV
B:  RHKILHRLLQ
Description (1)  Vitamin D3 receptor A, Nuclear receptor coactivator 1 (E.C.2.3.1.48)


Functional site

1) chain A
residue 175
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE 0VO A 501
source : AC1

2) chain A
residue 179
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE 0VO A 501
source : AC1

3) chain A
residue 259
type
ligand
sequence A
description BINDING SITE FOR RESIDUE 0VO A 501
source : AC1

4) chain A
residue 261
type
ligand
sequence L
description BINDING SITE FOR RESIDUE 0VO A 501
source : AC1

5) chain A
residue 262
type
ligand
sequence V
description BINDING SITE FOR RESIDUE 0VO A 501
source : AC1

6) chain A
residue 265
type
ligand
sequence S
description BINDING SITE FOR RESIDUE 0VO A 501
source : AC1

7) chain A
residue 296
type
ligand
sequence I
description BINDING SITE FOR RESIDUE 0VO A 501
source : AC1

8) chain A
residue 302
type
ligand
sequence R
description BINDING SITE FOR RESIDUE 0VO A 501
source : AC1

9) chain A
residue 303
type
ligand
sequence S
description BINDING SITE FOR RESIDUE 0VO A 501
source : AC1

10) chain A
residue 306
type
ligand
sequence S
description BINDING SITE FOR RESIDUE 0VO A 501
source : AC1

11) chain A
residue 328
type
ligand
sequence V
description BINDING SITE FOR RESIDUE 0VO A 501
source : AC1

12) chain A
residue 331
type
ligand
sequence A
description BINDING SITE FOR RESIDUE 0VO A 501
source : AC1

13) chain A
residue 333
type
ligand
sequence H
description BINDING SITE FOR RESIDUE 0VO A 501
source : AC1

14) chain A
residue 341
type
ligand
sequence L
description BINDING SITE FOR RESIDUE 0VO A 501
source : AC1

15) chain A
residue 423
type
ligand
sequence H
description BINDING SITE FOR RESIDUE 0VO A 501
source : AC1

16) chain A
residue 430
type
ligand
sequence L
description BINDING SITE FOR RESIDUE 0VO A 501
source : AC1

17) chain A
residue 180
type BINDING
ligand
sequence S
description Vitamin D3.
source Swiss-Prot : SWS_FT_FI1

18) chain A
residue 270
type BINDING
ligand
sequence I
description Vitamin D3.
source Swiss-Prot : SWS_FT_FI1

19) chain A
residue 175
type binding
ligand 0VO: (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL
sequence Y
description (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL binding site
source pdb_hetatom : 0VO_4g1y_A_501

20) chain A
residue 179
type binding
ligand 0VO: (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL
sequence Y
description (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL binding site
source pdb_hetatom : 0VO_4g1y_A_501

21) chain A
residue 182
type binding
ligand 0VO: (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL
sequence F
description (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL binding site
source pdb_hetatom : 0VO_4g1y_A_501

22) chain A
residue 255
type binding
ligand 0VO: (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL
sequence L
description (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL binding site
source pdb_hetatom : 0VO_4g1y_A_501

23) chain A
residue 258-259
type binding
ligand 0VO: (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL
sequence LA
description (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL binding site
source pdb_hetatom : 0VO_4g1y_A_501

24) chain A
residue 261-262
type binding
ligand 0VO: (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL
sequence LV
description (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL binding site
source pdb_hetatom : 0VO_4g1y_A_501

25) chain A
residue 265
type binding
ligand 0VO: (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL
sequence S
description (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL binding site
source pdb_hetatom : 0VO_4g1y_A_501

26) chain A
residue 296
type binding
ligand 0VO: (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL
sequence I
description (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL binding site
source pdb_hetatom : 0VO_4g1y_A_501

27) chain A
residue 299-300
type binding
ligand 0VO: (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL
sequence IM
description (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL binding site
source pdb_hetatom : 0VO_4g1y_A_501

28) chain A
residue 302-306
type binding
ligand 0VO: (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL
sequence RSNQS
description (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL binding site
source pdb_hetatom : 0VO_4g1y_A_501

29) chain A
residue 314
type binding
ligand 0VO: (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL
sequence W
description (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL binding site
source pdb_hetatom : 0VO_4g1y_A_501

30) chain A
residue 316
type binding
ligand 0VO: (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL
sequence C
description (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL binding site
source pdb_hetatom : 0VO_4g1y_A_501

31) chain A
residue 323
type binding
ligand 0VO: (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL
sequence Y
description (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL binding site
source pdb_hetatom : 0VO_4g1y_A_501

32) chain A
residue 328
type binding
ligand 0VO: (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL
sequence V
description (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL binding site
source pdb_hetatom : 0VO_4g1y_A_501

33) chain A
residue 331-333
type binding
ligand 0VO: (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL
sequence AGH
description (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL binding site
source pdb_hetatom : 0VO_4g1y_A_501

34) chain A
residue 337-338
type binding
ligand 0VO: (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL
sequence LL
description (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL binding site
source pdb_hetatom : 0VO_4g1y_A_501

35) chain A
residue 341
type binding
ligand 0VO: (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL
sequence L
description (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL binding site
source pdb_hetatom : 0VO_4g1y_A_501

36) chain A
residue 423
type binding
ligand 0VO: (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL
sequence H
description (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL binding site
source pdb_hetatom : 0VO_4g1y_A_501

37) chain A
residue 427
type binding
ligand 0VO: (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL
sequence Y
description (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL binding site
source pdb_hetatom : 0VO_4g1y_A_501

38) chain A
residue 430
type binding
ligand 0VO: (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL
sequence L
description (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL binding site
source pdb_hetatom : 0VO_4g1y_A_501

39) chain A
residue 440
type binding
ligand 0VO: (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL
sequence L
description (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL binding site
source pdb_hetatom : 0VO_4g1y_A_501

40) chain A
residue 444
type binding
ligand 0VO: (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL
sequence V
description (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL binding site
source pdb_hetatom : 0VO_4g1y_A_501

41) chain A
residue 448
type binding
ligand 0VO: (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL
sequence F
description (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL binding site
source pdb_hetatom : 0VO_4g1y_A_501


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