3WMG

Crystal structure of an inward-facing eukaryotic ABC multidrug transporter G277V/A278V/A279V mutant in complex with an cyclic peptide inhibitor, aCAP

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	ATP-binding cassette, sub-family B, member 1	polymer	621	67420.1	1	UniProt (M1VAN7) Pfam (PF00664) Pfam (PF00005)	Cyanidioschyzon merolae
2	B (B)	anti-CmABCB1 peptide	polymer	19	2111.4	1	BIRD (PRD_001229)
3	C, D, E, F, H (A, B)	DECYL-BETA-D-MALTOPYRANOSIDE	non-polymer		482.6	5	Chemie (DMU)
4	G (A)	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		122.1	1	Chemie (TRS)
5	I (A)	water	water		18.0	101	Chemie (HOH)

Sequence modifications

A: 93 - 696 (UniProt: M1VAN7)

PDB	External Database	Details
Val 277	Gly 277	engineered mutation
Val 278	Ala 278	engineered mutation
Val 279	Ala 279	engineered mutation
Ser 697	-	expression tag
Gly 698	-	expression tag
Arg 699	-	expression tag
Asp 700	-	expression tag
Tyr 701	-	expression tag
Lys 702	-	expression tag
Asp 703	-	expression tag
Asp 704	-	expression tag
Asp 705	-	expression tag
Asp 706	-	expression tag
Lys 707	-	expression tag
His 708	-	expression tag
His 709	-	expression tag
His 710	-	expression tag
His 711	-	expression tag
His 712	-	expression tag
His 713	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	69531.5
Non-Polymers*	Number of molecules	6
	Total formula weight	2535.0
All*	Total formula weight	72066.4

*Water molecules are not included.