3P8X

Synthesis, Structure, and Biological Activity of des-Side Chain Analogues of 1alpha,25-Dihydroxyvitamin D3 with Substituents at C-18

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Vitamin D3 receptor	polymer	280	31694.4	1	UniProt (P11473) Pfam (PF00104)	Homo sapiens (human)	VDR, 1,25-dihydroxyvitamin D3 receptor, Nuclear receptor subfamily 1 group I member 1
2	B (A)	(1R,3S,5Z)-5-{(2E)-2-[(3aR,7aS)-7a-(7-hydroxy-7-methyloctyl)octahydro-4H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol	non-polymer		416.6	1	Chemie (ZYD)
3	C, D (A)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
4	E (A)	water	water		18.0	228	Chemie (HOH)

Sequence modifications

A: 118 - 164 (UniProt: P11473)

PDB	External Database	Details
Met 97	-	expression tag
Gly 98	-	expression tag
Ser 99	-	expression tag
Ser 100	-	expression tag
His 101	-	expression tag
His 102	-	expression tag
His 103	-	expression tag
His 104	-	expression tag
His 105	-	expression tag
His 106	-	expression tag
Ser 107	-	expression tag
Ser 108	-	expression tag
Gly 109	-	expression tag
Leu 110	-	expression tag
Val 111	-	expression tag
Pro 112	-	expression tag
Arg 113	-	expression tag
Gly 114	-	expression tag
Ser 115	-	expression tag
His 116	-	expression tag
Met 117	-	expression tag

A: 217 - 427 (UniProt: P11473)

PDB	External Database	Details
Ser 216	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	31694.4
Non-Polymers*	Number of molecules	3
	Total formula weight	608.8
All*	Total formula weight	32303.2

*Water molecules are not included.