6U1H

Thermus thermophilus D-alanine-D-alanine ligase in complex with ADP, phosphate, 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, C, D (A, B, C, D)	D-alanine--D-alanine ligase	polymer	327	35789.0	4	UniProt (Q5SHZ3) Pfam (PF01820) Pfam (PF07478)	Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579)	D-Ala-D-Ala ligase,D-alanylalanine synthetase
2	E, F, J, L, M (A, B, C)	MAGNESIUM ION	non-polymer		24.3	5	Chemie (MG)
3	G, N (A, C)	PHOSPHATE ION	non-polymer		95.0	2	Chemie (PO4)
4	H, O (A, C)	POTASSIUM ION	non-polymer		39.1	2	Chemie (K)
5	I, K, P, Q (A, B, C, D)	ADENOSINE-5'-DIPHOSPHATE	non-polymer		427.2	4	Chemie (ADP)
6	R, S, T, U (A, B, C, D)	water	water		18.0	311	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 319 (UniProt: Q5SHZ3)

PDB	External Database	Details
Met -1	-	initiating methionine
Glu 0	-	expression tag
His 320	-	expression tag
His 321	-	expression tag
His 322	-	expression tag
His 323	-	expression tag
His 324	-	expression tag
His 325	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	143156.0
Non-Polymers*	Number of molecules	13
	Total formula weight	2098.5
All*	Total formula weight	145254.4

*Water molecules are not included.