33WJ

Structural and functional evaluation of the classical RND efflux pumps inhibitor PAbN, a systematic study.

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, E... (A, B, C, D, E...)	Multidrug resistance protein MexB	polymer	1056	114223.6	6	UniProt (P52002)	Pseudomonas aeruginosa	Multidrug-efflux transporter MexB
2	G, H, J, K, L... (A, B, D, E)	DODECYL-BETA-D-MALTOSIDE	non-polymer		510.6	10	Chemie (LMT) PubChem (114880)
3	I (B)	N2-(L-PHENYLALANYL)-N1-(NAPHTHALENYL)-L-ARIGNINAMIDE	non-polymer		446.5	1	Chemie (MC2)
4	N, S (C, F)	ACETATE ION	non-polymer		59.0	2	Chemie (ACT) PubChem (175)

Sequence modifications

A, B, C, D, E, F: 1 - 1046 (UniProt: P52002)

PDB	External Database	Details
Asn 407	Asp 407	engineered mutation
Leu 1047	-	expression tag
Glu 1048	-	expression tag
His 1049	-	expression tag
His 1050	-	expression tag
His 1051	-	expression tag
His 1052	-	expression tag
His 1053	-	expression tag
His 1054	-	expression tag
His 1055	-	expression tag
His 1056	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	685341.4
Non-Polymers*	Number of molecules	13
	Total formula weight	5670.8
All*	Total formula weight	691012.2

*Water molecules are not included.