4BET

Crystal structure of the Legionella pneumophila FIC domain-containing effector AnkX protein (inactive H229A mutant) in complex with cytidine-diphosphate-choline

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)	PHOSPHOCHOLINE TRANSFERASE ANKX	polymer	512	58284.5	2	UniProt (Q5ZXN6) Pfam (PF22170) Pfam (PF12796)	LEGIONELLA PNEUMOPHILA	PC TRANSFERASE, ANKYRIN REPEAT-CONTAINING PROTEIN X
2	C, G (A, B)	[2-CYTIDYLATE-O'-PHOSPHONYLOXYL]-ETHYL-TRIMETHYL-AMMONIUM	non-polymer		488.3	2	Chemie (CDC)
3	D, E, H, I (A, B)	SULFATE ION	non-polymer		96.1	4	Chemie (SO4)
4	F, J, K (A, B)	GLYCEROL	non-polymer		92.1	3	Chemie (GOL)
5	L, M (A, B)	water	water		18.0	114	Chemie (HOH)

Sequence modifications

A, B: 2 - 484 (UniProt: Q5ZXN6)

PDB	External Database	Details
Met -27	-	expression tag
Ser -26	-	expression tag
Tyr -25	-	expression tag
Tyr -24	-	expression tag
His -23	-	expression tag
His -22	-	expression tag
His -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
Leu -17	-	expression tag
Glu -16	-	expression tag
Ser -15	-	expression tag
Thr -14	-	expression tag
Ser -13	-	expression tag
Leu -12	-	expression tag
Tyr -11	-	expression tag
Lys -10	-	expression tag
Lys -9	-	expression tag
Ala -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Glu -5	-	expression tag
Asn -4	-	expression tag
Leu -3	-	expression tag
Tyr -2	-	expression tag
Phe -1	-	expression tag
Gln 0	-	expression tag
Gly 1	-	expression tag
Ala 229	His 229	engineered mutation
Pro 247	Leu 247	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	116568.9
Non-Polymers*	Number of molecules	9
	Total formula weight	1637.2
All*	Total formula weight	118206.1

*Water molecules are not included.