6KEB

Structure basis for Diltiazem block of a voltage-gated calcium channel

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, B, C, D)	Ion transport protein	polymer	284	32980.8	4	UniProt (A8EVM5) Pfam (PF00520) Pfam (PF08016)	Arcobacter butzleri	CavAb
2	E, F, G, H, J... (A, B, C, D)	1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE	non-polymer		678.9	12	Chemie (PX4)
3	I, L (B, C)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
4	S (D)	[(2~{S},3~{R})-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate	non-polymer		414.5	1	Chemie (D6C)
5	T, U (B, C)	water	water		18.0	5	Chemie (HOH)

Sequence modifications

A, B, C, D: 1001 - 1267 (UniProt: A8EVM5)

PDB	External Database	Details
Asp 984	-	expression tag
Tyr 985	-	expression tag
Lys 986	-	expression tag
Asp 987	-	expression tag
Asp 988	-	expression tag
Asp 989	-	expression tag
Asp 990	-	expression tag
Lys 991	-	expression tag
Gly 992	-	expression tag
Ser 993	-	expression tag
Leu 994	-	expression tag
Val 995	-	expression tag
Pro 996	-	expression tag
Arg 997	-	expression tag
Gly 998	-	expression tag
Ser 999	-	expression tag
His 1000	-	expression tag
Asp 1177	Glu 177	conflict
Asp 1178	Ser 178	conflict
Asn 1181	Met 181	conflict

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	131923.2
Non-Polymers*	Number of molecules	15
	Total formula weight	8642.0
All*	Total formula weight	140565.2

*Water molecules are not included.