8HFK

Crystal Structure of CbAR mutant (H162F) in complex with NADP+ and halogenated aryl ketone

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, D (A, B, C, D)	Versicolorin reductase	polymer	279	30124.9	4	UniProt (A0A2G5I2X5) Pfam (PF13561)	Cercospora sp. JNU001
2	E, G, I, K (A, B, C, D)	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	4	Chemie (NAP)
3	F, H, J, L (A, B, C, D)	2-bromanyl-1-(4-bromanyl-2-oxidanyl-phenyl)ethanone	non-polymer		293.9	4	Chemie (L8U)
4	M, N, O, P (A, B, C, D)	water	water		18.0	55	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 268 (UniProt: A0A2G5I2X5)

PDB	External Database	Details
Met -1	-	initiating methionine
Ala 0	-	expression tag
Phe 162	His 162	engineered mutation
Ala 269	-	expression tag
Leu 270	-	expression tag
Glu 271	-	expression tag
His 272	-	expression tag
His 273	-	expression tag
His 274	-	expression tag
His 275	-	expression tag
His 276	-	expression tag
His 277	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	120499.8
Non-Polymers*	Number of molecules	8
	Total formula weight	4149.4
All*	Total formula weight	124649.1

*Water molecules are not included.