7U56

Crystal Structure of D-alanine--D-alanine ligase from Klebsiella pneumoniae subsp. pneumoniae in complex with AMP

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	384	41893.8	2	UniProt (A0A0H3GSI5) Pfam (PF01820) Pfam (PF07478)	Klebsiella pneumoniae subsp. pneumoniae HS11286	D-Ala-D-Ala ligase,D-alanylalanine synthetase
2	C, K (A, B)	ADENOSINE MONOPHOSPHATE	non-polymer		347.2	2	Chemie (AMP)
3	D, L (A, B)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
4	E, F, G, H, M... (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	8	Chemie (EDO)
5	I, J, Q, R (A, B)	CHLORIDE ION	non-polymer		35.5	4	Chemie (CL)
6	S, T (A, B)	water	water		18.0	754	Chemie (HOH)

Sequence modifications

A, B: 1 - 376 (UniProt: A0A0H3GSI5)

PDB	External Database	Details
Met -7	-	initiating methionine
Ala -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	83787.5
Non-Polymers*	Number of molecules	16
	Total formula weight	1381.4
All*	Total formula weight	85168.9

*Water molecules are not included.