5AWK

Crystal structure of VDR-LBD/partial agonist complex: 22S-ethyl analogue

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Vitamin D3 receptor,Vitamin D3 receptor	polymer	271	30595.0	1	UniProt (P13053) Pfam (PF00104) In PDB	Rattus norvegicus (Rat)	VDR,1,25-dihydroxyvitamin D3 receptor,Nuclear receptor subfamily 1 group I member 1,VDR,1,25-dihydroxyvitamin D3 receptor,Nuclear receptor subfamily 1 group I member 1
2	C	Mediator of RNA polymerase II transcription subunit 1	polymer	13	1570.9	1	UniProt (Q15648) In PDB	Homo sapiens
3	A	(1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,3S)-3-ethyl-5-oxidanyl-pentan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol	non-polymer		402.6	1	Chemie (YSE)
4		water	water		18.0	8	Chemie (HOH)

Sequence modifications

A: 116 - 211 (UniProt: P13053)

PDB	External Database	Details
Gly 106	-	expression tag
Ser 107	-	expression tag
His 108	-	expression tag
Met 109	-	expression tag
Gly 110	-	expression tag
Ser 111	-	expression tag
Pro 112	-	expression tag
Asn 113	-	expression tag
Ser 114	-	expression tag
Pro 115	-	expression tag

A: 212 - 423 (UniProt: P13053)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	32165.9
Non-Polymers*	Number of molecules	1
	Total formula weight	402.6
All*	Total formula weight	32568.5

*Water molecules are not included.