5X7E

Crystal structure of vitamin D hydroxylase cytochrome P450 105A1 (R84A mutant) in complex with 1,25-dihydroxyvitamin D2

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 dihydroxylase	polymer	412	44991.7	1	UniProt (P18326) Pfam (PF00067) In PDB	Streptomyces griseolus	CYP105A1,Cytochrome P450-CVA1,Cytochrome P450-SU1,Vitamin D3 hydroxylase,VD3 hydroxylase
2	A	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	1	Chemie (HEM)
3	A	(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-5,6-dimethyl-6-oxidanyl-hept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydr o-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol	non-polymer		428.6	1	Chemie (7ZU)
4		water	water		18.0	294	Chemie (HOH)

Sequence modifications

A: 1 - 406 (UniProt: P18326)

PDB	External Database	Details
Ala 84	Arg 84	engineered mutation
Gln 308	His 308	variant
His 407	-	expression tag
His 408	-	expression tag
His 409	-	expression tag
His 410	-	expression tag
His 411	-	expression tag
His 412	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	44991.7
Non-Polymers*	Number of molecules	2
	Total formula weight	1045.1
All*	Total formula weight	46036.9

*Water molecules are not included.