6H5E

Crystal Structure of the GatD/MurT Enzyme Complex from Staphylococcus aureus with bound AMPPNP

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C (A, C)	SA1707 protein	polymer	251	28539.2	2	UniProt (A0A0H3JN63) Pfam (PF07685) Pfam (PF00117)	Staphylococcus aureus	GatD
2	B, D (B, D)	DUF1727 domain-containing protein	polymer	437	49250.9	2	UniProt (A0A0D6HDA2) Pfam (PF08245) Pfam (PF08353) UniProt (by SIFTS) (A0A0H3JUU7)	Staphylococcus aureus	Mur ligase middle domain protein,UDP-N-acetylmuramate--alanine ligase,MurT
3	E, M (B, D)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
4	F, N (B, D)	PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER	non-polymer		506.2	2	Chemie (ANP)
5	G, O (B, D)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
6	H (C)	TRIS-HYDROXYMETHYL-METHYL-AMMONIUM	non-polymer		122.1	1	Chemie (144)
7	I, J, K, P, Q (C, D)	GLYCEROL	non-polymer		92.1	5	Chemie (GOL)
8	L, R, S (C, D)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	3	Chemie (PEG)
9	T, U, V, W (A, B, C, D)	water	water		18.0	372	Chemie (HOH)

Sequence modifications

A, C: 1 - 243 (UniProt: A0A0H3JN63)

PDB	External Database	Details
Leu 244	-	expression tag
Glu 245	-	expression tag
His 246	-	expression tag
His 247	-	expression tag
His 248	-	expression tag
His 249	-	expression tag
His 250	-	expression tag
His 251	-	expression tag

B, D: 1 - 437 (UniProt: A0A0D6HDA2)

PDB	External Database	Details
Val 39	Ile 39	conflict

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	155580.1
Non-Polymers*	Number of molecules	15
	Total formula weight	2092.8
All*	Total formula weight	157672.9

*Water molecules are not included.