9QKA

NCS-1 bound to XChem ligand 4

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (B, A)	Neuronal calcium sensor 1	polymer	190	21902.7	2	UniProt (P62166) Pfam (PF00036) Pfam (PF13499)	Homo sapiens (human)	NCS-1,Frequenin homolog,Frequenin-like protein,Frequenin-like ubiquitous protein
2	C, D, E, J, K... (B, A)	CALCIUM ION	non-polymer		40.1	6	Chemie (CA) PubChem (271)
3	F, N (B, A)	ACETATE ION	non-polymer		59.0	2	Chemie (ACT) PubChem (175)
4	G, P (B, A)	~{N}-[2,4-bis(fluoranyl)-3-methyl-phenyl]-2-methyl-5-piperidin-1-ylsulfonyl-furan-3-carboxamide	non-polymer		398.4	2	Chemie (A1I7N)
5	H, R (B, A)	HEXAETHYLENE GLYCOL	non-polymer		282.3	2	Chemie (P6G) PubChem (17472)
6	I, M (B, A)	SODIUM ION	non-polymer		23.0	2	Chemie (NA) PubChem (923)
7	O, Q (A)	PENTAETHYLENE GLYCOL	non-polymer		238.3	2	Chemie (1PE) PubChem (62551)
8	S, T (B, A)	water	water		18.0	80	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	43805.3
Non-Polymers*	Number of molecules	16
	Total formula weight	2242.6
All*	Total formula weight	46047.9

*Water molecules are not included.