6U1D

Thermus thermophilus D-alanine-D-alanine ligase in complex with ATP, D-alanine-D-alanine, Mg2+ and Rb+

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	D-alanine--D-alanine ligase	polymer	327	35789.0	2	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, B	D-ALANINE	non-polymer		89.1	4	Chemie (DAL)
3	A, B	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
4	A, B	RUBIDIUM ION	non-polymer		85.5	4	Chemie (RB)
5	A, B	ADENOSINE-5'-TRIPHOSPHATE	non-polymer		507.2	2	Chemie (ATP)
6		water	water		18.0	439	Chemie (HOH)

Sequence modifications

A, B: 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	2
	Total formula weight	71578.0
Non-Polymers*	Number of molecules	14
	Total formula weight	1809.8
All*	Total formula weight	73387.8

*Water molecules are not included.