2BD1

A possible role of the second calcium ion in interfacial binding: Atomic and medium resolution crystal structures of the quadruple mutant of phospholipase A2

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Phospholipase A2	polymer	123	13818.6	2	UniProt (P00593) Pfam (PF00068) In PDB	Bos taurus (cattle)	Phosphatidylcholine 2-acylhydrolase, Group IB phospholipase A2
2	A, B	CALCIUM ION	non-polymer		40.1	4	Chemie (CA)
3	A, B	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	2	Chemie (MPD)
4		water	water		18.0	218	Chemie (HOH)

Sequence modifications

A, B: 1 - 123 (UniProt: P00593)

PDB	External Database	Details
Met 53	Lys 75	engineered mutation
Met 56	Lys 78	engineered mutation
Met 120	Lys 142	engineered mutation
Met 121	Lys 143	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	27637.1
Non-Polymers*	Number of molecules	6
	Total formula weight	396.7
All*	Total formula weight	28033.8

*Water molecules are not included.