9PIF

Cryo-EM structure of human NCC with chlorthalidone

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 (A, B)	Solute carrier family 12 member 3	polymer	890	98893.1	2	UniProt (P55017)	Homo sapiens (human)	Na-Cl cotransporter,NCC,Na-Cl symporter,Thiazide-sensitive sodium-chloride cotransporter
2	C (C)	Solute carrier family 12 member 2	polymer	202	21497.1	1	UniProt (A0A0G2KTI4)	Danio rerio (zebrafish)	Bumetanide-sensitive sodium-(potassium)-chloride cotransporter 2,BSC2,Na-K-Cl cotransporter 1,NKCC1
3	D, G (A, B)	ADENOSINE-5'-TRIPHOSPHATE	non-polymer		507.2	2	Chemie (ATP)
4	E, H (A, B)	2-chloro-5-[(1R)-1-hydroxy-3-oxo-2,3-dihydro-1H-isoindol-1-yl]benzene-1-sulfonamide	non-polymer		338.8	2	Chemie (A1CIB)
5	F (A)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	1	Chemie (NAG) PubChem (24139)
6	I, J (A, B)	water	water		18.0	2	Chemie (HOH)

Sequence modifications

A, B: 132 - 1021 (UniProt: P55017)

PDB	External Database	Details
Ala 240	Glu 240	engineered mutation
Gly 264	Ala 264	conflict

C: 1 - 202 (UniProt: A0A0G2KTI4)

PDB	External Database	Details
Lys 76	Glu 76	conflict

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	219283.4
Non-Polymers*	Number of molecules	5
	Total formula weight	1913.1
All*	Total formula weight	221196.5

*Water molecules are not included.