5NMB

Structure-activity relationship study of vitamin D analogs with oxolane group in their side chain

External Resource: Annotation

Domain Annotation: ECOD Classification
Protein Family Annotation
Gene Ontology: Gene Product Annotation
InterPro: Protein Family Classification
Pharos: Disease Associations

Domain Annotation: ECOD Classification ECOD Database Homepage

Chains	Family Name	Domain Identifier	Architecture	Possible Homology	Homology	Topology	Family	Provenance Source (Version)
A [auth A2]	PF00104	e5nmbA21	A: alpha arrays	X: Nuclear receptor ligand-binding domain (From Topology)	H: Nuclear receptor ligand-binding domain (From Topology)	T: Nuclear receptor ligand-binding domain	F: PF00104	ECOD (1.6)

Protein Family Annotation Pfam Database Homepage

Chains	Accession	Name	Description	Comments	Source
B [auth B2]	PF08832	Steroid receptor coactivator (SRC-1)	Steroid receptor coactivator	This domain is found in steroid/nuclear receptor coactivators and contains two LXXLL motifs that are involved in receptor binding [1]. The family includes SRC-1/NcoA-1, NcoA-2/TIF2, pCIP/ACTR/GRIP-1/AIB1.	Domain

Gene Ontology: Gene Product Annotation Gene Ontology Database Homepage

Chains	Polymer	Molecular Function	Biological Process	Cellular Component
A [auth A2]	Vitamin D3 receptor A	vitamin binding binding organic cyclic compound binding vitamin D binding steroid binding lipid binding small molecule binding calcitriol binding D3 vitamins binding DNA binding sequence-specific DNA binding double-stranded DNA binding nucleic acid binding RNA polymerase II transcription regulatory region sequence-specific DNA binding vitamin binding binding organic cyclic compound binding vitamin D binding steroid binding lipid binding small molecule binding calcitriol binding D3 vitamins binding DNA binding sequence-specific DNA binding double-stranded DNA binding nucleic acid binding RNA polymerase II transcription regulatory region sequence-specific DNA binding cis-regulatory region sequence-specific DNA binding sequence-specific double-stranded DNA binding transcription cis-regulatory region binding transcription regulatory region nucleic acid binding RNA polymerase II cis-regulatory region sequence-specific DNA binding lithocholic acid binding organic acid binding bile acid binding ion binding anion binding carboxylic acid binding monocarboxylic acid binding nuclear receptor activity DNA-binding transcription factor activity, RNA polymerase II-specific molecular transducer activity transcription regulator activity ligand-activated transcription factor activity DNA-binding transcription factor activity signaling receptor activity cation binding transition metal ion binding zinc ion binding metal ion binding	developmental process stem cell proliferation cell population proliferation cellular developmental process hemopoiesis cell differentiation anatomical structure development hematopoietic stem cell proliferation cell development cellular process heart jogging multicellular organismal process heart morphogenesis pattern specification process developmental process stem cell proliferation cell population proliferation cellular developmental process hemopoiesis cell differentiation anatomical structure development hematopoietic stem cell proliferation cell development cellular process heart jogging multicellular organismal process heart morphogenesis pattern specification process embryo development embryonic heart tube development multicellular organism development tube morphogenesis embryonic heart tube morphogenesis determination of bilateral symmetry animal organ morphogenesis epithelial tube morphogenesis embryonic organ development determination of left/right symmetry system development specification of symmetry embryonic organ morphogenesis heart development epithelium development tube development animal organ development embryonic morphogenesis morphogenesis of an epithelium determination of heart left/right asymmetry tissue development regionalization circulatory system development anatomical structure morphogenesis tissue morphogenesis left/right pattern formation cellular biosynthetic process cellular metabolic process RNA metabolic process primary metabolic process nucleobase-containing compound biosynthetic process gene expression macromolecule biosynthetic process nucleic acid metabolic process RNA biosynthetic process nucleobase-containing compound metabolic process DNA-templated transcription organic cyclic compound metabolic process nucleic acid biosynthetic process organic substance metabolic process biosynthetic process organic cyclic compound biosynthetic process organic substance biosynthetic process metabolic process macromolecule metabolic process regulation of cellular process regulation of primary metabolic process regulation of RNA metabolic process regulation of nucleobase-containing compound metabolic process regulation of RNA biosynthetic process regulation of biosynthetic process regulation of biological process biological regulation regulation of cellular metabolic process regulation of macromolecule metabolic process regulation of cellular biosynthetic process regulation of gene expression regulation of macromolecule biosynthetic process regulation of DNA-templated transcription regulation of metabolic process inorganic ion homeostasis chemical homeostasis homeostatic process monoatomic ion homeostasis calcium ion homeostasis monoatomic cation homeostasis ossification negative regulation of biological process negative regulation of cellular metabolic process negative regulation of RNA biosynthetic process transcription by RNA polymerase II negative regulation of nucleobase-containing compound metabolic process regulation of transcription by RNA polymerase II negative regulation of DNA-templated transcription negative regulation of transcription by RNA polymerase II negative regulation of metabolic process negative regulation of cellular biosynthetic process negative regulation of macromolecule biosynthetic process negative regulation of RNA metabolic process negative regulation of cellular process negative regulation of macromolecule metabolic process negative regulation of biosynthetic process positive regulation of macromolecule biosynthetic process positive regulation of metabolic process positive regulation of macromolecule metabolic process positive regulation of nucleobase-containing compound metabolic process positive regulation of transcription by RNA polymerase II positive regulation of RNA metabolic process positive regulation of DNA-templated transcription positive regulation of biological process positive regulation of cellular metabolic process positive regulation of biosynthetic process positive regulation of cellular process positive regulation of RNA biosynthetic process positive regulation of cellular biosynthetic process heart looping	intracellular anatomical structure cytoplasm cellular anatomical entity membrane-bounded organelle intracellular organelle organelle nucleus intracellular membrane-bounded organelle
B [auth B2]	Nuclear receptor coactivator 1	transcription coactivator activity transcription regulator activity transcription coregulator activity nuclear receptor coactivator activity protein-macromolecule adaptor activity molecular adaptor activity protein binding binding protein dimerization activity catalytic activity, acting on a protein N-acetyltransferase activity acyltransferase activity transferase activity peptide N-acetyltransferase activity transcription coactivator activity transcription regulator activity transcription coregulator activity nuclear receptor coactivator activity protein-macromolecule adaptor activity molecular adaptor activity protein binding binding protein dimerization activity catalytic activity, acting on a protein N-acetyltransferase activity acyltransferase activity transferase activity peptide N-acetyltransferase activity histone acetyltransferase activity acetyltransferase activity peptide-lysine-N-acetyltransferase activity histone modifying activity acyltransferase activity, transferring groups other than amino-acyl groups catalytic activity N-acyltransferase activity protein-containing complex binding chromatin binding DNA binding sequence-specific DNA binding sequence-specific double-stranded DNA binding transcription cis-regulatory region binding double-stranded DNA binding organic cyclic compound binding nucleic acid binding RNA polymerase II transcription regulatory region sequence-specific DNA binding transcription regulatory region nucleic acid binding transcription factor binding nuclear retinoic acid receptor binding RNA polymerase II-specific DNA-binding transcription factor binding nuclear receptor binding nuclear retinoid X receptor binding DNA-binding transcription factor binding nuclear estrogen receptor binding	developmental process multicellular organismal process gonad development reproductive system development reproductive process sex differentiation animal organ development developmental process involved in reproduction male gonad development male sex differentiation multicellular organism development development of primary male sexual characteristics development of primary sexual characteristics anatomical structure development reproductive structure development developmental process multicellular organismal process gonad development reproductive system development reproductive process sex differentiation animal organ development developmental process involved in reproduction male gonad development male sex differentiation multicellular organism development development of primary male sexual characteristics development of primary sexual characteristics anatomical structure development reproductive structure development system development placenta development chordate embryonic development embryonic morphogenesis labyrinthine layer development embryo development in utero embryonic development embryonic placenta morphogenesis labyrinthine layer morphogenesis anatomical structure morphogenesis embryonic placenta development embryo development ending in birth or egg hatching embryonic organ development ovulation cycle rhythmic process estrous cycle multicellular organismal reproductive process response to organic substance response to ketone response to lipid response to stimulus response to endogenous stimulus response to progesterone response to oxygen-containing compound response to hormone response to steroid hormone response to chemical response to organic cyclic compound regulation of biological process positive regulation of programmed cell death regulation of cellular process regulation of apoptotic process biological regulation positive regulation of biological process regulation of programmed cell death cell death positive regulation of apoptotic process cellular process apoptotic process programmed cell death positive regulation of cellular process head development brain development nervous system development cerebellum development central nervous system development metencephalon development hindbrain development behavior male mating behavior reproductive behavior mating behavior forebrain development pallium development cerebral cortex development telencephalon development cellular response to stimulus intracellular receptor signaling pathway signaling cell communication peroxisome proliferator activated receptor signaling pathway signal transduction mRNA transcription by RNA polymerase II cellular biosynthetic process RNA metabolic process mRNA transcription nucleobase-containing compound metabolic process RNA biosynthetic process DNA-templated transcription nucleic acid biosynthetic process organic substance metabolic process transcription by RNA polymerase II organic substance biosynthetic process cellular metabolic process primary metabolic process nucleobase-containing compound biosynthetic process gene expression mRNA metabolic process macromolecule biosynthetic process nucleic acid metabolic process organic cyclic compound metabolic process biosynthetic process organic cyclic compound biosynthetic process metabolic process macromolecule metabolic process regulation of body fluid levels secretion transport mammary gland development gland development establishment of localization body fluid secretion localization lactation regulation of biological quality cellular response to chemical stimulus response to Thyroglobulin triiodothyronine cellular response to Thyroglobulin triiodothyronine cellular response to nitrogen compound response to peptide hormone regulation of cellular response to insulin stimulus cellular response to endogenous stimulus cellular response to organic substance cellular response to hormone stimulus response to organonitrogen compound cellular response to peptide hormone stimulus response to nitrogen compound cellular response to oxygen-containing compound cellular response to organonitrogen compound regulation of response to stimulus response to insulin cellular response to insulin stimulus positive regulation of macromolecule biosynthetic process regulation of primary metabolic process positive regulation of metabolic process regulation of RNA metabolic process positive regulation of macromolecule metabolic process regulation of nucleobase-containing compound metabolic process regulation of transcription by RNA polymerase II positive regulation of nucleobase-containing compound metabolic process regulation of cellular metabolic process positive regulation of transcription by RNA polymerase II positive regulation of RNA metabolic process regulation of gene expression regulation of macromolecule biosynthetic process regulation of DNA-templated transcription regulation of metabolic process positive regulation of DNA-templated transcription positive regulation of cellular metabolic process positive regulation of biosynthetic process regulation of RNA biosynthetic process regulation of biosynthetic process regulation of macromolecule metabolic process regulation of cellular biosynthetic process positive regulation of RNA biosynthetic process positive regulation of cellular biosynthetic process hippocampus development limbic system development regulation of transcription from RNA polymerase II promoter by galactose carbon catabolite regulation of transcription positive regulation of transcription by galactose cellular response to nutrient levels carbon catabolite regulation of transcription from RNA polymerase II promoter carbon catabolite activation of transcription from RNA polymerase II promoter carbon catabolite activation of transcription response to nutrient levels regulation of transcription by galactose response to nutrient positive regulation of transcription from RNA polymerase II promoter by galactose cellular response to nutrient regulation of developmental process connective tissue development adipose tissue development positive regulation of adipose tissue development tissue development positive regulation of developmental process regulation of adipose tissue development positive regulation of multicellular organismal process regulation of multicellular organismal process hypothalamus development diencephalon development response to retinoic acid cellular developmental process regulation of cell differentiation positive regulation of neuron differentiation neurogenesis neuron differentiation positive regulation of cell differentiation cell differentiation generation of neurons regulation of neuron differentiation thyroid hormone mediated signaling pathway regulation of signal transduction hormone-mediated signaling pathway regulation of thyroid hormone mediated signaling pathway regulation of signaling regulation of cell communication positive regulation of female receptivity female mating behavior regulation of female receptivity response to estradiol	intracellular anatomical structure cytoplasm cellular anatomical entity cytosol protein-containing complex transcription regulator complex intracellular organelle protein-DNA complex organelle intracellular non-membrane-bounded organelle chromatin chromosome non-membrane-bounded organelle RNA polymerase II transcription regulator complex intracellular anatomical structure cytoplasm cellular anatomical entity cytosol protein-containing complex transcription regulator complex intracellular organelle protein-DNA complex organelle intracellular non-membrane-bounded organelle chromatin chromosome non-membrane-bounded organelle RNA polymerase II transcription regulator complex membrane-bounded organelle nucleus nuclear protein-containing complex intracellular membrane-bounded organelle cell periphery plasma membrane membrane membrane-enclosed lumen intracellular organelle lumen nucleoplasm organelle lumen nuclear lumen

InterPro: Protein Family Classification InterPro Database Homepage

Chains	Accession	Name	Type
A [auth A2]	IPR042153	VDR, DNA-binding domain	Domain
A [auth A2]	IPR001628	Zinc finger, nuclear hormone receptor-type	Domain
A [auth A2]	IPR001723	Nuclear hormone receptor	Family
A [auth A2]	IPR013088	Zinc finger, NHR/GATA-type	Homologous Superfamily
A [auth A2]	IPR000324	Vitamin D receptor	Family
A [auth A2]	IPR000536	Nuclear hormone receptor, ligand-binding domain	Domain
A [auth A2]	IPR035500	Nuclear hormone receptor-like domain superfamily	Homologous Superfamily
B [auth B2]	IPR010011	Nuclear receptor coactivator, DUF1518	Domain
B [auth B2]	IPR028819	Nuclear receptor coactivator 1, basic helix-loop-helix	Domain
B [auth B2]	IPR009110	Nuclear receptor coactivator, interlocking	Homologous Superfamily
B [auth B2]	IPR017426	Nuclear receptor coactivator	Family
B [auth B2]	IPR014935	Nuclear receptor coactivator, receptor-binding domain	Domain
B [auth B2]	IPR014920	Nuclear receptor coactivator, Ncoa-type, interlocking	Domain
B [auth B2]	IPR035965	PAS domain superfamily	Homologous Superfamily
B [auth B2]	IPR036638	Helix-loop-helix DNA-binding domain superfamily	Homologous Superfamily
B [auth B2]	IPR037077	Nuclear receptor coactivator, Ncoa-type, interlocking domain superfamily	Homologous Superfamily
B [auth B2]	IPR013767	PAS fold	Domain
B [auth B2]	IPR000014	PAS domain	Domain
B [auth B2]	IPR011598	Myc-type, basic helix-loop-helix (bHLH) domain	Domain

Pharos: Disease Associations Pharos Homepage Annotation

Chains	Drug Target	Associated Disease
B [auth B2]	Pharos: Q15788	breast carcinoma breast cancer Mammary Neoplasms, Experimental prostate cancer endometriosis ovarian cancer psoriasis adenoma diffuse large B-cell lymphoma glioblastoma malignant glioma astrocytic tumor invasive ductal breast carcinoma osteosarcoma atypical teratoid rhabdoid tumor breast carcinoma breast cancer Mammary Neoplasms, Experimental prostate cancer endometriosis ovarian cancer psoriasis adenoma diffuse large B-cell lymphoma glioblastoma malignant glioma astrocytic tumor invasive ductal breast carcinoma osteosarcoma atypical teratoid rhabdoid tumor cancer large cell medulloblastoma myopathy

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM133198.