39AU

Crystal structure of LUCI-tag, bound to ARS-1323

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 (A, E, I, M)	LUCI-tag	polymer	169	18663.2	4		synthetic construct
2	E, H, K, N (A, E, I, M)	(S)-1-{4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl] piperazin-1-yl}propan-1-one	non-polymer		432.9	4	Chemie (91S) PubChem (137181409)
3	F, I, L, O (A, E, I, M)	GUANOSINE-5'-DIPHOSPHATE	non-polymer		443.2	4	Chemie (GDP)
4	G, J, M, P (A, E, I, M)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG) PubChem (888)
5	Q, R, S, T (A, E, I, M)	water	water		18.0	88	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	74652.9
Non-Polymers*	Number of molecules	12
	Total formula weight	3601.4
All*	Total formula weight	78254.3

*Water molecules are not included.