2XD1

ACTIVE SITE RESTRUCTURING REGULATES LIGAND RECOGNITION IN CLASS A PENICILLIN-BINDING PROTEINS

Replaces:  2UWYReplaces:  2BG4

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	PENICILLIN-BINDING PROTEIN 1B	polymer	494	54124.9	2	UniProt (Q7CRA4) Pfam (PF00905)	STREPTOCOCCUS PNEUMONIAE
2	C, E (A, B)	CEFOTAXIME, C3' cleaved, open, bound form	non-polymer		397.4	2	Chemie (CEF)
3	D, F (A, B)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
4	G, H (A, B)	water	water		18.0	91	Chemie (HOH)

Sequence modifications

A, B: 323 - 791 (UniProt: Q7CRA4)

PDB	External Database	Details
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	108249.8
Non-Polymers*	Number of molecules	4
	Total formula weight	987.0
All*	Total formula weight	109236.8

*Water molecules are not included.