8SZC

Heterodimeric ABC transporter BmrCD in the inward-facing conformation bound to substrate and ATP: BmrCD_IF-1HT/ATP

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (D)	Probable multidrug resistance ABC transporter ATP-binding/permease protein YheH	polymer	681	77369.9	1	UniProt (O07549) Pfam (PF00664) Pfam (PF00005)	Bacillus subtilis subsp. subtilis str. 168
2	B (C)	Probable multidrug resistance ABC transporter ATP-binding/permease protein YheI	polymer	607	67603.0	1	UniProt (O07550) Pfam (PF00664) Pfam (PF00005)	Bacillus subtilis subsp. subtilis str. 168
3	C, D, E, F, G... (D, C)	(2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate	non-polymer		760.1	21	Chemie (POV)
4	M, Z (D, C)	ADENOSINE-5'-TRIPHOSPHATE	non-polymer		507.2	2	Chemie (ATP)
5	N (D)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
6	AA (C)	2'-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE	non-polymer		452.6	1	Chemie (HT1)

Sequence modifications

D: 1 - 673 (UniProt: O07549)

PDB	External Database	Details
Ala 154	Cys 154	engineered mutation
Ala 256	Cys 256	engineered mutation
Ala 351	Cys 351	engineered mutation
Gln 592	Glu 592	engineered mutation
Leu 674	-	expression tag
Glu 675	-	expression tag
His 676	-	expression tag
His 677	-	expression tag
His 678	-	expression tag
His 679	-	expression tag
His 680	-	expression tag
His 681	-	expression tag

C: 2 - 585 (UniProt: O07550)

PDB	External Database	Details
Met -21	-	initiating methionine
Gly -20	-	expression tag
Ser -19	-	expression tag
Ser -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
Ser -11	-	expression tag
Ser -10	-	expression tag
Gly -9	-	expression tag
Leu -8	-	expression tag
Val -7	-	expression tag
Pro -6	-	expression tag
Arg -5	-	expression tag
Gly -4	-	expression tag
Ser -3	-	expression tag
His -2	-	expression tag
Met -1	-	expression tag
Leu 0	-	expression tag
Glu 1	-	expression tag
Gln 500	Asp 500	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	144972.9
Non-Polymers*	Number of molecules	25
	Total formula weight	17452.8
All*	Total formula weight	162425.7

*Water molecules are not included.