9XHS

Crystal structure of Macrobrachium rosenbergii lipocalin in complex with astaxanthin and phosphatidylethanolamine

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (B, A)	Crustacyanin-like lipocalin	polymer	207	23617.7	2	UniProt (A4Z4V4)	Macrobrachium rosenbergii (giant freshwater prawn)
2	C (B)	[(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate	non-polymer		718.0	1	Chemie (6OU)
3	D, E (A)	ASTAXANTHIN	non-polymer		596.8	2	Chemie (AXT) PubChem (5281224)
4	F, G (B, A)	water	water		18.0	151	Chemie (HOH)

Sequence modifications

B, A: 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

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	47235.5
Non-Polymers*	Number of molecules	3
	Total formula weight	1911.7
All*	Total formula weight	49147.1

*Water molecules are not included.