9G9S

Crystal structure of PbdA bound to veratrate

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)	Cytochrome P450 CYP199	polymer	420	45972.6	2	UniProt (Q0SCI3) Pfam (PF00067)	Rhodococcus jostii RHA1
2	C, E (A, B)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
3	D, F (A, B)	3,4-dimethoxybenzoic acid	non-polymer		182.2	2	Chemie (TWO)
4	G, H (B)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
5	I, J (A, B)	water	water		18.0	488	Chemie (HOH)

Sequence modifications

A, B: 1 - 400 (UniProt: Q0SCI3)

PDB	External Database	Details
Met -19	-	initiating methionine
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
Ser -10	-	expression tag
Ser -9	-	expression tag
Gly -8	-	expression tag
Glu -7	-	expression tag
Asn -6	-	expression tag
Leu -5	-	expression tag
Tyr -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Gly -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	91945.1
Non-Polymers*	Number of molecules	6
	Total formula weight	1781.5
All*	Total formula weight	93726.6

*Water molecules are not included.