2JE5

STRUCTURAL AND MECHANISTIC BASIS OF PENICILLIN BINDING PROTEIN INHIBITION BY LACTIVICINS

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	PENICILLIN-BINDING PROTEIN 1B	polymer	720	78428.3	2	UniProt (O70038) Pfam (PF00912) Pfam (PF00905) In PDB	STREPTOCOCCUS PNEUMONIAE
2	A, B	(2E)-2-{[(2S)-2-(ACETYLAMINO)-2-CARBOXYETHOXY]IMINO}PENTANEDIOIC ACID	non-polymer		290.2	2	Chemie (L4C)
3	A, B	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
4	A, B	CHLORIDE ION	non-polymer		35.5	4	Chemie (CL)
5		water	water		18.0	79	Chemie (HOH)

Sequence modifications

A, B: 72 - 791 (UniProt: O70038)

PDB	External Database	Details
Ser 73	Ala 73	engineered mutation
Met 123	Leu 123	engineered mutation
Asn 158	Lys 158	engineered mutation
Pro 162	Arg 162	engineered mutation
Gln 336	Arg 336	engineered mutation
Gln 686	Arg 686	engineered mutation
Gln 687	Arg 687	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	156856.7
Non-Polymers*	Number of molecules	8
	Total formula weight	914.4
All*	Total formula weight	157771.0

*Water molecules are not included.