9XII

Crystal structure of Macrobrachium rosenbergii lipocalin Y57F mutant in complex with astaxanthin

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, C, E, G)	Crustacyanin-like lipocalin	polymer	207	23601.7	4	UniProt (A4Z4V4)	Macrobrachium rosenbergii (giant freshwater prawn)
2	E, F, G, H (A, E, G)	ASTAXANTHIN	non-polymer		596.8	4	Chemie (AXT) PubChem (5281224)

Sequence modifications

A, C, E, G: 2 - 187 (UniProt: A4Z4V4)

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
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag
Met 1	-	expression tag
Phe 57	Tyr 73	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	94406.9
Non-Polymers*	Number of molecules	4
	Total formula weight	2387.4
All*	Total formula weight	96794.3

*Water molecules are not included.