4UXX

Structure of delta4-DgkA with AMPPCP in 9.9 MAG

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	DIACYLGLYCEROL KINASE	polymer	130	14240.5	3	UniProt (P0ABN1) Pfam (PF01219) In PDB	ESCHERICHIA COLI K-12	DAGK, DIGLYCERIDE KINASE, DGK
2	A	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
3	A, B, C	SODIUM ION	non-polymer		23.0	3	Chemie (NA)
4	A, B	ACETATE ION	non-polymer		59.0	3	Chemie (ACT)
5	A, B, C	(2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate	non-polymer		356.5	6	Chemie (OLC)
6	B	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	1	Chemie (MPD)
7	C	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
8	C	PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER	non-polymer		505.2	1	Chemie (ACP)
9		water	water		18.0	13	Chemie (HOH)

Sequence modifications

A, B, C: 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 53	Ile 54	engineered mutation
Leu 70	Ile 71	engineered mutation
Leu 96	Met 97	engineered mutation
Asp 107	Val 108	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	42721.6
Non-Polymers*	Number of molecules	17
	Total formula weight	3175.0
All*	Total formula weight	45896.6

*Water molecules are not included.