4Y8W

Crystal Structure of Human Cytochrome P450 21A2 Progesterone Complex

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C (A, B, C)	Cytochrome P450 21-hydroxylase	polymer	482	54539.2	3	UniProt (Q16874) Pfam (PF00067) UniProt (by SIFTS) (P08686)	Homo sapiens (Human)	Cytochrome P450,family 21,subfamily A,polypeptide 2,isoform CRA_b,DJ34F7.3 (Cytochrome P450,subfamily XXIA (Steroid 21-hydroxylase,congenital adrenal hyperplasia),polypeptide 2 (CYP21,P450c21B)),Steroid 21-hydroxylase,cDNA,FLJ95495,Homo sapiens cytochrome P450,polypeptide 2(CYP21A2),mRNA
2	D, E, H, K (A, B, C)	SULFATE ION	non-polymer		96.1	4	Chemie (SO4)
3	F, I, L (A, B, C)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	3	Chemie (HEM)
4	G, J, M (A, B, C)	PROGESTERONE	non-polymer		314.5	3	Chemie (STR)
5	N, O, P (A, B, C)	water	water		18.0	77	Chemie (HOH)

Sequence modifications

A, B, C: 30 - 495 (UniProt: Q16874)

PDB	External Database	Details
Met 20	-	initiating methionine
Ala 21	-	expression tag
Lys 22	-	expression tag
Lys 23	-	expression tag
Thr 24	-	expression tag
Ser 25	-	expression tag
Ser 26	-	expression tag
Lys 27	-	expression tag
Gly 28	-	expression tag
Lys 29	-	expression tag
His 496	-	expression tag
His 497	-	expression tag
His 498	-	expression tag
His 499	-	expression tag
His 500	-	expression tag
His 501	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	163617.5
Non-Polymers*	Number of molecules	10
	Total formula weight	3177.1
All*	Total formula weight	166794.6

*Water molecules are not included.