4G1Y

Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor

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Functional Information from GO Data

ChainGOidnamespacecontents
B0005829cellular_componentcytosol
B0043005cellular_componentneuron projection
B0000790cellular_componentnuclear chromatin
B0005654cellular_componentnucleoplasm
B0005634cellular_componentnucleus
B0005886cellular_componentplasma membrane
B0032991cellular_componentprotein-containing complex
B0050681molecular_functionandrogen receptor binding
B0017162molecular_functionaryl hydrocarbon receptor binding
B0003682molecular_functionchromatin binding
B0000981molecular_functionDNA-binding transcription factor activity, RNA polymerase II-specific
B0019899molecular_functionenzyme binding
B0030331molecular_functionestrogen receptor binding
B0004402molecular_functionhistone acetyltransferase activity
B0035257molecular_functionnuclear hormone receptor binding
B0016922molecular_functionnuclear receptor binding
B0030374molecular_functionnuclear receptor transcription coactivator activity
B0033142molecular_functionprogesterone receptor binding
B0046983molecular_functionprotein dimerization activity
B0047485molecular_functionprotein N-terminus binding
B0044877molecular_functionprotein-containing complex binding
B0046965molecular_functionretinoid X receptor binding
B0001012molecular_functionRNA polymerase II regulatory region DNA binding
B0003713molecular_functiontranscription coactivator activity
B0030521biological_processandrogen receptor signaling pathway
B0015721biological_processbile acid and bile salt transport
B0032870biological_processcellular response to hormone stimulus
B1904017biological_processcellular response to Thyroglobulin triiodothyronine
B0021549biological_processcerebellum development
B0021987biological_processcerebral cortex development
B0044849biological_processestrous cycle
B0021766biological_processhippocampus development
B0043967biological_processhistone H4 acetylation
B0021854biological_processhypothalamus development
B0060713biological_processlabyrinthine layer morphogenesis
B0007595biological_processlactation
B0008584biological_processmale gonad development
B0060179biological_processmale mating behavior
B0043065biological_processpositive regulation of apoptotic process
B0045925biological_processpositive regulation of female receptivity
B0045666biological_processpositive regulation of neuron differentiation
B0045944biological_processpositive regulation of transcription by RNA polymerase II
B0000435biological_processpositive regulation of transcription from RNA polymerase II promoter by galactose
B0045893biological_processpositive regulation of transcription, DNA-templated
B2001038biological_processregulation of cellular response to drug
B0019216biological_processregulation of lipid metabolic process
B0002155biological_processregulation of thyroid hormone mediated signaling pathway
B0032355biological_processresponse to estradiol
B0032570biological_processresponse to progesterone
B0032526biological_processresponse to retinoic acid
B0006351biological_processtranscription, DNA-templated
A0005737cellular_componentcytoplasm
A0005634cellular_componentnucleus
A0090575cellular_componentRNA polymerase II transcription factor complex
A1902098molecular_functioncalcitriol binding
A0000981molecular_functionDNA-binding transcription factor activity, RNA polymerase II-specific
A1902121molecular_functionlithocholic acid binding
A0004879molecular_functionnuclear receptor activity
A0030374molecular_functionnuclear receptor transcription coactivator activity
A0000977molecular_functionRNA polymerase II regulatory region sequence-specific DNA binding
A0038023molecular_functionsignaling receptor activity
A0003707molecular_functionsteroid hormone receptor activity
A0008134molecular_functiontranscription factor binding
A0000976molecular_functiontranscription regulatory region sequence-specific DNA binding
A0005499molecular_functionvitamin D binding
A0008270molecular_functionzinc ion binding
A0055074biological_processcalcium ion homeostasis
A0030154biological_processcell differentiation
A0003146biological_processheart jogging
A0001947biological_processheart looping
A0071425biological_processhematopoietic stem cell proliferation
A0007275biological_processmulticellular organism development
A0001503biological_processossification
A0045944biological_processpositive regulation of transcription by RNA polymerase II
A0006355biological_processregulation of transcription, DNA-templated
A0006351biological_processtranscription, DNA-templated
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Functional Information from PDB Data

site_idNumber of ResiduesDetails
AC116BINDING SITE FOR RESIDUE 0VO A 501
ChainResidue
ATYR175
ATYR179
AALA259
ALEU261
AVAL262
ASER265
AILE296
AARG302
ASER303
ASER306
AVAL328
AALA331
AHIS333
ALEU341
AHIS423
ALEU430

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Functional Information from PDB atom coordinates for the "HETATM" binding sites

site_idNumber of ResiduesDetails
0VO_4g1y_A_50133(4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL binding site
ChainResidueligand
ATYR1750VO: (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL
ATYR1790VO: (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL
APHE1820VO: (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL
ALEU2550VO: (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL
ALEU258-ALA2590VO: (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL
ALEU261-VAL2620VO: (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL
ASER2650VO: (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL
AILE2960VO: (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL
AILE299-MET3000VO: (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL
AARG302-SER3060VO: (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL
ATRP3140VO: (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL
ACYS3160VO: (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL
ATYR3230VO: (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL
AVAL3280VO: (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL
AALA331-HIS3330VO: (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL
ALEU337-LEU3380VO: (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL
ALEU3410VO: (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL
AHIS4230VO: (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL
ATYR4270VO: (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL
ALEU4300VO: (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL
ALEU4400VO: (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL
AVAL4440VO: (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL
APHE4480VO: (4E,6Z)-7-(3-{[3,4-BIS(HYDROXYMETHYL)BENZYL]OXY}PHENYL)-3-ETHYLNONA-4,6-DIEN-3-OL

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Functional Information from PROSITE/UniProt

site_idNumber of ResiduesDetails
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Functional Information from SwissProt/UniProt

site_idNumber of ResiduesDetails
SWS_FT_FI13Vitamin D3.
ChainResidueDetails
ATYR22
AHIS180
AHIS270

SWS_FT_FI276Nuclear receptor.
ChainResidueDetails
ANA*

SWS_FT_FI32Breakpoint for translocation to form PAX3-NCOA1 oncogene.
ChainResidueDetails
BNA*

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Catalytic Information from CSA

site_idNumber of ResiduesDetails