4R6N

Jacalin-carbohydrate interactions. Distortion of the ligand as a determinant of affinity

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C, E, G	Agglutinin alpha chain	polymer	133	14673.5	4	UniProt (P18670) Pfam (PF01419) In PDB	Artocarpus integer (campedak chempedak)	Jacalin alpha chain
2	B, D, F, H	Agglutinin beta-3 chain	polymer	19	1944.2	4	UniProt (P18673) In PDB	Artocarpus integer (campedak chempedak)	Jacalin beta-3 chain
3	G, A, E	methyl beta-D-galactopyranoside	non-polymer		194.2	3	Chemie (MBG)
4	E, G, H, A, C...	ISOPROPYL ALCOHOL	non-polymer		60.1	18	Chemie (IPA)
5	E, A, C, D	1,2-ETHANEDIOL	non-polymer		62.1	5	Chemie (EDO)
6		water	water		18.0	628	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	66470.6
Non-Polymers*	Number of molecules	26
	Total formula weight	1974.6
All*	Total formula weight	68445.2

*Water molecules are not included.