4XXA

Crystal structure of a recombinant Vatairea macrocarpa seed lectin

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Seed lectin	polymer	250	27495.4	2	UniProt (P81371) Pfam (PF00139) In PDB	Vatairea macrocarpa	VML
2	A, B	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
3	A, B	MANGANESE (II) ION	non-polymer		54.9	2	Chemie (MN)
4	A, B	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
5	A, B	PENTAETHYLENE GLYCOL	non-polymer		238.3	2	Chemie (1PE)
6		water	water		18.0	153	Chemie (HOH)

Sequence modifications

A, B: 2 - 241 (UniProt: P81371)

PDB	External Database	Details
Met 0	-	initiating methionine
Ala 1	-	expression tag
Leu 242	-	expression tag
Glu 243	-	expression tag
His 244	-	expression tag
His 245	-	expression tag
His 246	-	expression tag
His 247	-	expression tag
His 248	-	expression tag
His 249	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	54990.8
Non-Polymers*	Number of molecules	8
	Total formula weight	850.8
All*	Total formula weight	55841.5

*Water molecules are not included.