5D56

In meso in situ serial X-ray crystallography structure of diacylglycerol kinase, DgkA, at 100 K

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D, E... (A, B, C, D, E...)	Diacylglycerol kinase	polymer	130	14204.5	6	UniProt (P0ABN1) Pfam (PF01219)	Escherichia coli K-12	DAGK,Diglyceride kinase,DGK
2	G, H, I, J, K... (A, B, C, D)	(2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE	non-polymer		314.5	11	Chemie (78M)
3	O (D)	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
4	P (D)	CITRATE ANION	non-polymer		189.1	1	Chemie (FLC)
5	Q (D)	ACETATE ION	non-polymer		59.0	1	Chemie (ACT)
6	U, V, W, X (A, B, D, E)	water	water		18.0	13	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F: 1 - 121 (UniProt: P0ABN1)

PDB	External Database	Details
Gly -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
Glu -1	-	expression tag
Leu 0	-	expression tag
Cys 41	Ala 42	engineered mutation
Ala 46	Cys 47	engineered mutation
Val 53	Ile 54	engineered mutation
Leu 70	Ile 71	engineered mutation
Leu 96	Met 97	engineered mutation
Asp 107	Val 108	engineered mutation
Ala 113	Cys 114	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	85226.7
Non-Polymers*	Number of molecules	14
	Total formula weight	3772.6
All*	Total formula weight	88999.3

*Water molecules are not included.