3NA1

Crystal structure of human CYP11A1 in complex with 20-hydroxycholesterol

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Cholesterol side-chain cleavage enzyme, mitochondrial	polymer	487	56885.1	2	UniProt (P05108) Pfam (PF00067) In PDB	Homo sapiens (human)	Cytochrome P450 11A1, CYPXIA1, Cytochrome P450(scc), Cholesterol desmolase
2	C, D	Adrenodoxin, mitochondrial	polymer	123	13488.0	2	UniProt (P10109) Pfam (PF00111) In PDB	Homo sapiens (human)	Adrenal ferredoxin, Ferredoxin-1, Hepatoredoxin
3	A, B	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
4	A, B	(3alpha,8alpha)-cholest-5-ene-3,20-diol	non-polymer		402.7	2	Chemie (HCD)
5	C, D	FE2/S2 (INORGANIC) CLUSTER	non-polymer		175.8	2	Chemie (FES)
6		water	water		18.0	531	Chemie (HOH)

Sequence modifications

A, B: 2 - 482 (UniProt: P05108)

PDB	External Database	Details
His 483	-	expression tag
His 484	-	expression tag
His 485	-	expression tag
His 486	-	expression tag
His 487	-	expression tag
His 488	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	140746.2
Non-Polymers*	Number of molecules	6
	Total formula weight	2389.9
All*	Total formula weight	143136.1

*Water molecules are not included.