8U2M

Structure of P450Blt from Micromonospora sp. MW-13 in Complex with Biarylitide

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-SU1	polymer	420	45332.3	3	UniProt (A0A3E2YLT4) Pfam (PF00067)	Micromonospora sp. MW-13
2	D (D)	MET-ARG-TYR-LEU-HIS	polymer	5	720.9	1		synthetic construct
3	E, F, H, I, N... (A, B)	ACETATE ION	non-polymer		59.0	6	Chemie (ACT)
4	G (A)	TETRAETHYLENE GLYCOL	non-polymer		194.2	1	Chemie (PG4)
5	J, Q, V (A, B, C)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	3	Chemie (HEM)
6	K, L, M, U, Y (A, B, C)	SODIUM ION	non-polymer		23.0	5	Chemie (NA)
7	O (B)	2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL	non-polymer		164.2	1	Chemie (TOE)
8	P (B)	MESO-ERYTHRITOL	non-polymer		122.1	1	Chemie (MRY)
9	S, T, W, X (B, C)	trifluoroacetic acid	non-polymer		114.0	4	Chemie (TFA)
10	AA, BA, CA, Z (B, C, D, A)	water	water		18.0	623	Chemie (HOH)

Sequence modifications

A, B, C: 1 - 399 (UniProt: A0A3E2YLT4)

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

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	136717.7
Non-Polymers*	Number of molecules	21
	Total formula weight	3255.3
All*	Total formula weight	139973.0

*Water molecules are not included.