7B39

Allene-Based Design of a Noncalcemic Vitamin D Receptor Agonist

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003677	molecular_function	DNA binding
A	0004879	molecular_function	nuclear receptor activity
A	0005634	cellular_component	nucleus
A	0006355	biological_process	regulation of DNA-templated transcription

Functional Information from PDB Data

site_id	AC1
Number of Residues	12
Details	binding site for residue T0H A 501

Chain	Residue
A	TYR175
A	HIS333
A	HIS423
A	TYR427
A	SER265
A	ILE299
A	ARG302
A	SER303
A	SER306
A	TRP314
A	CYS316
A	VAL328

---

site_id	AC2
Number of Residues	7
Details	binding site for residue ACT A 502

Chain	Residue
A	THR174
A	TYR175
A	ASP176
A	TYR264
A	LYS268
A	ARG302
A	HOH634

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	18
Details	Region: {"description":"Interaction with coactivator LXXLL motif","evidences":[{"source":"UniProtKB","id":"P13053","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	8
Details	Motif: {"description":"9aaTAD","evidences":[{"source":"UniProtKB","id":"P11473","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	6
Details	Binding site: {"evidences":[{"source":"PubMed","id":"17218092","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2HC4","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	4
Details	Motif: {"description":"LXXLL motif 4"}

Chain

Residue

Details

---