4OAK

Crystal structure of vancomycin resistance D,D-dipeptidase/D,D-pentapeptidase VanXYc D59S mutant in complex with D-Alanine-D-Alanine and copper (II)

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,D-dipeptidase/D,D-carboxypeptidase	polymer	211	24766.0	2	UniProt (Q9JN36) Pfam (PF02557)	Enterococcus gallinarum	D,D-dipeptidase/D,D-carboxypeptidase VanXYc
2	C, N (A, B)	COPPER (II) ION	non-polymer		63.5	2	Chemie (CU)
3	D, E, O, P (A, B)	D-ALANINE	non-polymer		89.1	4	Chemie (DAL)
4	F, Q, R (A, B)	SULFATE ION	non-polymer		96.1	3	Chemie (SO4)
5	G (A)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
6	H, I, J, K, S... (A, B)	CHLORIDE ION	non-polymer		35.5	6	Chemie (CL)
7	L, M, U, V (A, B)	3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL	non-polymer		634.8	4	Chemie (PE3)
8	W, X (A, B)	water	water		18.0	324	Chemie (HOH)

Sequence modifications

A, B: 1 - 190 (UniProt: Q9JN36)

PDB	External Database	Details
Met -20	-	initiating methionine
Gly -19	-	expression tag
Ser -18	-	expression tag
Ser -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
Ser -10	-	expression tag
Ser -9	-	expression tag
Gly -8	-	expression tag
Arg -7	-	expression tag
Glu -6	-	expression tag
Asn -5	-	expression tag
Leu -4	-	expression tag
Tyr -3	-	expression tag
Phe -2	-	expression tag
Gln -1	-	expression tag
Gly 0	-	expression tag
Ser 59	Asp 59	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	49531.9
Non-Polymers*	Number of molecules	20
	Total formula weight	3547.7
All*	Total formula weight	53079.6

*Water molecules are not included.