6Q5F

OXA-48_P68A-CAZ. Evolutionary trade-offs of OXA-48 mediated ceftazidime-avibactam resistance

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C	Beta-lactamase	polymer	265	30370.7	2	UniProt (Q6XEC0) Pfam (PF00905) In PDB	Klebsiella pneumoniae
2	B, D	Beta-lactamase	polymer	265	30413.7	2	UniProt (Q6XEC0) Pfam (PF00905) In PDB	Klebsiella pneumoniae
3	A, C	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	2	Chemie (CTJ)
4	A, B, C, D	CHLORIDE ION	non-polymer		35.5	6	Chemie (CL)
5	A, B, C	TRIETHYLENE GLYCOL	non-polymer		150.2	3	Chemie (PGE)
6	C	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
7	D	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
8		water	water		18.0	422	Chemie (HOH)

Sequence modifications

A, C: 1 - 265 (UniProt: Q6XEC0)

PDB	External Database	Details
Ala 68	Pro 68	engineered mutation

B, D: 1 - 265 (UniProt: Q6XEC0)

PDB	External Database	Details
Ala 68	Pro 68	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	121568.7
Non-Polymers*	Number of molecules	13
	Total formula weight	1964.6
All*	Total formula weight	123533.4

*Water molecules are not included.