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 (A, B)	Cholesterol side-chain cleavage enzyme, mitochondrial	polymer	487	56885.1	2	UniProt (P05108) Pfam (PF00067)	Homo sapiens (human)	Cytochrome P450 11A1, CYPXIA1, Cytochrome P450(scc), Cholesterol desmolase
2	C, D (C, D)	Adrenodoxin, mitochondrial	polymer	123	13488.0	2	UniProt (P10109) Pfam (PF00111)	Homo sapiens (human)	Adrenal ferredoxin, Ferredoxin-1, Hepatoredoxin
3	E, G (A, B)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
4	F, H (A, B)	(3alpha,8alpha)-cholest-5-ene-3,20-diol	non-polymer		402.7	2	Chemie (HCD) PubChem (21968531) PubChem (121935) PubChem (24774748) PubChem (24779600) PubChem (18665022) PubChem (440711) PubChem (46781746) PubChem (46783726) PubChem (50990014) PubChem (54592389) PubChem (53372932) PubChem (69762669) PubChem (66764710) PubChem (71075801) PubChem (6102286) PubChem (90336420) PubChem (71773908) PubChem (71168116) PubChem (90213452) PubChem (3367711) PubChem (129371963) PubChem (118914333) PubChem (121427035) PubChem (124512253) PubChem (125136629) PubChem (126968705) PubChem (129320917) PubChem (129715638) PubChem (131698563) PubChem (144120370) PubChem (146159081) PubChem (166624778) PubChem (171035505) PubChem (175866567)
5	I, J (C, D)	FE2/S2 (INORGANIC) CLUSTER	non-polymer		175.8	2	Chemie (FES)
6	K, L, M, N (A, B, C, D)	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.