5D40

Crystal structure of the 5-selective H176Y mutant of Cytochrome TxtE

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)	P450-like protein	polymer	427	47160.5	2	UniProt (C9ZDC6) Pfam (PF00067)	Streptomyces scabies (strain 87.22)
2	C, G (A, B)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
3	D, H (A, B)	TRYPTOPHAN	non-polymer		204.2	2	Chemie (TRP)
4	E, F, I, J, K... (A, B)	GLYCEROL	non-polymer		92.1	9	Chemie (GOL)
5	P (B)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
6	Q, R (A, B)	water	water		18.0	1155	Chemie (HOH)

Sequence modifications

A, B: 1 - 406 (UniProt: C9ZDC6)

PDB	External Database	Details
Met -20	-	initiating methionine
Gly -19	-	expression tag
Ser -18	-	expression tag
Ser -17	-	expression tag
His -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
Leu -7	-	expression tag
Val -6	-	expression tag
Pro -5	-	expression tag
Arg -4	-	expression tag
Gly -3	-	expression tag
Ser -2	-	expression tag
His -1	-	expression tag
Met 0	-	expression tag
Tyr 176	His 176	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	94321.0
Non-Polymers*	Number of molecules	14
	Total formula weight	2505.7
All*	Total formula weight	96826.7

*Water molecules are not included.