3LQ3

Crystal structure of human choline kinase beta in complex with phosphorylated hemicholinium-3 and adenosine nucleotide

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Choline/ethanolamine kinase	polymer	401	46265.3	1	UniProt (Q9Y259) Pfam (PF01633)	Homo sapiens (human)	choline/ethanolamine kinase beta, CKEKB, Choline kinase beta, CKB, CK, Choline kinase-like protein, Ethanolamine kinase, EK, Ethanolamine kinase beta, EKB
2	B (A)	(2S)-2-[4'-({dimethyl[2-(phosphonooxy)ethyl]ammonio}acetyl)biphenyl-4-yl]-2-hydroxy-4,4-dimethylmorpholin-4-ium	non-polymer		494.5	1	Chemie (HC7)
3	C (A)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
4	D, E (A)	UNKNOWN ATOM OR ION	non-polymer			2	Chemie (UNX)
5	F (A)	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
6	G (A)	ADENOSINE-5'-DIPHOSPHATE	non-polymer		427.2	1	Chemie (ADP)
7	H (A)	ADENOSINE MONOPHOSPHATE	non-polymer		347.2	1	Chemie (AMP)
8	I (A)	water	water		18.0	273	Chemie (HOH)

Sequence modifications

A: 14 - 395 (UniProt: Q9Y259)

PDB	External Database	Details
Met -5	-	expression tag
Gly -4	-	expression tag
Ser -3	-	expression tag
Ser -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag
His 1	-	expression tag
His 2	-	expression tag
His 3	-	expression tag
His 4	-	expression tag
Ser 5	-	expression tag
Ser 6	-	expression tag
Gly 7	-	expression tag
Leu 8	-	expression tag
Val 9	-	expression tag
Pro 10	-	expression tag
Arg 11	-	expression tag
Gly 12	-	expression tag
Ser 13	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	46265.3
Non-Polymers*	Number of molecules	7
	Total formula weight	1389.3
All*	Total formula weight	47654.6

*Water molecules are not included.