7S1X

Cryo-EM structure of human NKCC1 K289NA492EL671C bound with bumetanide

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	B, A	Solute carrier family 12 member 2	polymer	1216	131888.6	2	UniProt (P55011) Pfam (PF08403) Pfam (PF00324) Pfam (PF03522) In PDB	Homo sapiens (Human)	Basolateral Na-K-Cl symporter,Bumetanide-sensitive sodium-(potassium)-chloride cotransporter 2
2	B, A	3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid	non-polymer		364.4	2	Chemie (82U)
3	B, A	POTASSIUM ION	non-polymer		39.1	2	Chemie (K)
4	B, A	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)

Sequence modifications

B, A: 2 - 1212 (UniProt: P55011)

PDB	External Database	Details
Gly -3	-	expression tag
Ala -2	-	expression tag
Met -1	-	expression tag
Gly 0	-	expression tag
Ser 1	-	expression tag
Asn 289	Lys 289	engineered mutation
Glu 492	Ala 492	engineered mutation
Cys 671	Leu 671	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	263777.3
Non-Polymers*	Number of molecules	6
	Total formula weight	877.9
All*	Total formula weight	264655.2

*Water molecules are not included.