6KE5

Structure of CavAb in complex with Diltiazem and Amlodipine

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	32957.8	4	UniProt (A8EVM5) Pfam (PF00520) Pfam (PF08016)	Arcobacter butzleri RM4018
2	E, K, O (A, C, D)	[1-MYRISTOYL-GLYCEROL-3-YL]PHOSPHONYLCHOLINE	non-polymer		468.6	3	Chemie (LPC)
3	F, M, P (A, C, D)	CALCIUM ION	non-polymer		40.1	3	Chemie (CA)
4	G, H, J, N, Q (A, B, C, D)	SN-GLYCEROL-3-PHOSPHATE	non-polymer		172.1	5	Chemie (G3P)
5	I (B)	amlodipine	non-polymer		408.9	1	Chemie (6UB)
6	L (C)	[(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)
7	R (C)	water	water		18.0	1	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
Tyr 1195	Trp 195	conflict

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	131831.1
Non-Polymers*	Number of molecules	13
	Total formula weight	3209.8
All*	Total formula weight	135040.8

*Water molecules are not included.