8PEC

OXA-48_Q5-CAZ. Epistasis Arises from Shifting the Rate-Limiting Step during Enzyme Evolution

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D	Beta-lactamase	polymer	242	28002.7	4	UniProt (Q6XEC0) Pfam (PF00905) In PDB	Klebsiella pneumoniae
2	A, C, D	1-({(2R)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-2-oxoethyl]-4-carboxy-3,6-dihydro-2H-1,3-thiazin-5-yl}methyl)pyridinium	non-polymer		549.6	3	Chemie (CTJ)
3	A, C	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
4		water	water		18.0	84	Chemie (HOH)

Sequence modifications

A, B, C, D: 24 - 265 (UniProt: Q6XEC0)

PDB	External Database	Details
Val 33	Ala 33	engineered mutation
Glu 51	Lys 51	engineered mutation
Leu 72	Phe 72	engineered mutation
Ala 212	Ser 212	engineered mutation
Ala 213	Thr 213	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	112010.9
Non-Polymers*	Number of molecules	5
	Total formula weight	1719.7
All*	Total formula weight	113730.6

*Water molecules are not included.