6U1J

Thermus thermophilus D-alanine-D-alanine ligase in complex with ADP, phosphate, 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, C, D	D-alanine--D-alanine ligase	polymer	327	35789.0	4	UniProt (Q5SHZ3) Pfam (PF01820) Pfam (PF07478) In PDB	Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579)	D-Ala-D-Ala ligase,D-alanylalanine synthetase
2	A, C	D-ALANINE	non-polymer		89.1	4	Chemie (DAL)
3	A, C	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
4	A, C	PHOSPHATE ION	non-polymer		95.0	2	Chemie (PO4)
5	A, C	POTASSIUM ION	non-polymer		39.1	2	Chemie (K)
6	A, C	ADENOSINE-5'-DIPHOSPHATE	non-polymer		427.2	2	Chemie (ADP)
7		water	water		18.0	438	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	14
	Total formula weight	1576.1
All*	Total formula weight	144732.1

*Water molecules are not included.