3CZH

Crystal structure of CYP2R1 in complex with vitamin D2

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Cytochrome P450 2R1	polymer	481	55417.6	2	UniProt (Q6VVX0) Pfam (PF00067)	Homo sapiens	Vitamin D 25-hydroxylase
2	C, D (C, D)	Cycloheptakis-(1-4)-(alpha-D-glucopyranose)	branched		1153.0	2	In PDB BIRD (PRD_900012) GlyTouCan (G01435GL)		beta-cyclodextrin
3	AA, E, F, G, H... (B, A)	UNKNOWN ATOM OR ION	non-polymer			21	Chemie (UNX)
4	BA, O (B, A)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
5	CA, P (B, A)	(3S,5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraen-3-ol	non-polymer		396.6	2	Chemie (D2V)
6	DA, EA (A, B)	water	water		18.0	144	Chemie (HOH)

Sequence modifications

A, B: 32 - 501 (UniProt: Q6VVX0)

PDB	External Database	Details
Met 27	-	expression tag
Ala 28	-	expression tag
Lys 29	-	expression tag
Lys 30	-	expression tag
Thr 31	-	expression tag
His 502	-	expression tag
His 503	-	expression tag
His 504	-	expression tag
His 505	-	expression tag
His 506	-	expression tag
His 507	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	110835.1
Branched	Number of molecules	2
	Total formula weight	2306.0
Non-Polymers*	Number of molecules	25
	Total formula weight	2026.3
All*	Total formula weight	115167.4

*Water molecules are not included.