3WEC

Structure of P450 RauA (CYP1050A1) complexed with a biosynthetic intermediate of aurachin RE

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Cytochrome P450	polymer	419	45916.5	1	UniProt (S6BVH1) Pfam (PF00067) In PDB	Rhodococcus erythropolis
2	A	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	1	Chemie (HEM)
3	A	3-[(2E,6E,9R)-9-hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-2-methylquinolin-4(1H)-one	non-polymer		379.5	1	Chemie (AUI)
4		water	water		18.0	54	Chemie (HOH)

Sequence modifications

A: 1 - 411 (UniProt: S6BVH1)

PDB	External Database	Details
Leu 412	-	expression tag
Glu 413	-	expression tag
His 414	-	expression tag
His 415	-	expression tag
His 416	-	expression tag
His 417	-	expression tag
His 418	-	expression tag
His 419	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	45916.5
Non-Polymers*	Number of molecules	2
	Total formula weight	996.0
All*	Total formula weight	46912.5

*Water molecules are not included.