4C5C

The X-ray crystal structure of D-alanyl-D-alanine ligase in complex with ADP and D-ala-D-ala

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	330	35840.8	2	UniProt (C4ZRI7) Pfam (PF01820) Pfam (PF07478) UniProt (by SIFTS) (P07862) In PDB	ESCHERICHIA COLI	D-ALA-D-ALA LIGASE, D-ALANYLALANINE SYNTHETASE, D-ALANYL-D-ALANINE LIGASE
2	A, B	ADENOSINE-5'-TRIPHOSPHATE	non-polymer		507.2	2	Chemie (ATP)
3	A, B	D-ALANINE	non-polymer		89.1	4	Chemie (DAL)
4	A, B	MAGNESIUM ION	non-polymer		24.3	7	Chemie (MG)
5	A	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
6		water	water		18.0	652	Chemie (HOH)

Sequence modifications

A, B: 1 - 306 (UniProt: C4ZRI7)

PDB	External Database	Details
Met -23	-	expression tag
Ser -22	-	expression tag
Tyr -21	-	expression tag
Tyr -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
Asp -13	-	expression tag
Tyr -12	-	expression tag
Ile -11	-	expression tag
Pro -10	-	expression tag
Thr -9	-	expression tag
Thr -8	-	expression tag
Glu -7	-	expression tag
Asn -6	-	expression tag
Leu -5	-	expression tag
Tyr -4	-	expression tag
Phe -3	-	expression tag
Asn -2	-	expression tag
Gly -1	-	expression tag
Ala 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	71681.6
Non-Polymers*	Number of molecules	15
	Total formula weight	1725.1
All*	Total formula weight	73406.6

*Water molecules are not included.