3A78

Crystal structure of the human VDR ligand binding domain bound to the natural metabolite 1alpha,25-dihydroxy-3-epi-vitamin D3

Functional Information from GO Data

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

Functional Information from PDB Data

site_id	AC1
Number of Residues	14
Details	BINDING SITE FOR RESIDUE 3EV A 428

Chain	Residue
A	HOH9
A	SER278
A	TRP286
A	CYS288
A	HIS305
A	HIS397
A	TYR143
A	TYR147
A	LEU227
A	VAL234
A	SER237
A	ILE271
A	ARG274
A	SER275

---

site_id	AC2
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SO4 A 1

Chain	Residue
A	HOH56
A	HOH184
A	PRO408
A	GLU409
A	CYS410
A	SER411
A	HOH458
A	HOH498

---

site_id	AC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 A 2

Chain	Residue
A	THR280
A	MET281
A	LYS321

---

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	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10678179","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"11344298","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1DB1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1IE8","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10678179","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"11344298","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1DB1","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10678179","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"11344298","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1IE8","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10678179","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"11344298","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---