4R8C

Crystal Structure of CNG mimicking NaK-ETPP mutant in complex with Rb+

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)	Potassium channel protein	polymer	96	10626.6	2	UniProt (Q81HW2) Pfam (PF07885)	Bacillus cereus ATCC 14579
2	C, D, E, L, M... (A, B)	RUBIDIUM ION	non-polymer		85.5	6	Chemie (RB)
3	F, O (A, B)	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	2	Chemie (MPD)
4	G, H, I, J, K... (A, B)	GLYCINE	non-polymer		75.1	10	Chemie (GLY)
5	U, V (A, B)	water	water		18.0	27	Chemie (HOH)

Sequence modifications

A, B: 20 - 109 (UniProt: Q81HW2)

PDB	External Database	Details
Met 18	-	expression tag
Ala 19	-	expression tag
Glu 66	Asp 66	engineered mutation
Thr 67	Gly 67	engineered mutation
Pro 68	Asn 68	engineered mutation
Pro 69	Phe 69	engineered mutation
-	Ser 70	deletion
Leu 110	-	expression tag
Val 111	-	expression tag
Pro 112	-	expression tag
Arg 113	-	expression tag
Glu 66	Asp 66	engineered mutation
Thr 67	Gly 67	engineered mutation
Pro 68	Asn 68	engineered mutation
Pro 69	Phe 69	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	21253.1
Non-Polymers*	Number of molecules	18
	Total formula weight	1499.8
All*	Total formula weight	22752.9

*Water molecules are not included.