4C5A

The X-ray crystal structures of D-alanyl-D-alanine ligase in complex ADP and D-cycloserine phosphate

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	330	35840.8	2	UniProt (C4ZRI7) Pfam (PF01820) Pfam (PF07478) UniProt (by SIFTS) (P07862)	ESCHERICHIA COLI K-12	D-ALA-D-ALA LIGASE, D-ALANYLALANINE SYNTHETASE, D-ALANYL-D-ALANINE LIGASE
2	C (C)	PEPTIDE	polymer	8	941.0	1		synthetic construct
3	D, J (A, B)	ADENOSINE-5'-DIPHOSPHATE	non-polymer		427.2	2	Chemie (ADP)
4	E, K (A, B)	[(4R)-4-azanyl-4,5-dihydro-1,2-oxazol-3-yl] dihydrogen phosphate	non-polymer		182.1	2	Chemie (DS0)
5	F, G, L, M (A, B)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
6	H, I (A)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
7	N, O, P (A, B, C)	water	water		18.0	347	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	3
	Total formula weight	72622.6
Non-Polymers*	Number of molecules	10
	Total formula weight	1500.0
All*	Total formula weight	74122.5

*Water molecules are not included.