7U9K

Staphylococcus aureus D-alanine-D-alanine ligase in complex with ATP, D-ala-D-ala, Mg2+ and K+

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)	D-alanine--D-alanine ligase	polymer	364	41348.6	2	UniProt (Q2FWH3) Pfam (PF01820) Pfam (PF07478)	Staphylococcus aureus subsp. aureus NCTC 8325	D-Ala-D-Ala ligase,D-alanylalanine synthetase
2	C (F)	DAL-DAL	polymer	2	160.2	1		Staphylococcus aureus subsp. aureus NCTC 8325
3	D, G, H, I (A, B)	POTASSIUM ION	non-polymer		39.1	4	Chemie (K)
4	E, J (A, B)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
5	F (A)	ADENOSINE-5'-DIPHOSPHATE	non-polymer		427.2	1	Chemie (ADP)
6	K (B)	ADENOSINE-5'-TRIPHOSPHATE	non-polymer		507.2	1	Chemie (ATP)
7	L, M, N (A, B, F)	water	water		18.0	282	Chemie (HOH)

Sequence modifications

A, B: 1 - 356 (UniProt: Q2FWH3)

PDB	External Database	Details
Arg 357	-	expression tag
Ser 358	-	expression tag
His 359	-	expression tag
His 360	-	expression tag
His 361	-	expression tag
His 362	-	expression tag
His 363	-	expression tag
His 364	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	82857.3
Non-Polymers*	Number of molecules	8
	Total formula weight	1139.4
All*	Total formula weight	83996.7

*Water molecules are not included.