3W9I

Structural basis for the inhibition of bacterial multidrug exporters

External Resource: Annotation

Domain Annotation: ECOD Classification
Domain Annotation: CATH
AMR Gene: CARD Annotation
AMR Gene Family: CARD Annotation
Protein Family Annotation
Gene Ontology: Gene Product Annotation
InterPro: Protein Family Classification
Membrane Protein Annotation: OPM
Membrane Protein Annotation: PDBTM
Membrane Protein Annotation: MemProtMD
Membrane Protein Annotation: mpstruc

Domain Annotation: ECOD Classification ECOD Database Homepage

Chains	Family Name	Domain Identifier	Architecture	Possible Homology	Homology	Topology	Family	Provenance Source (Version)
A	ACR_tran_4th	e3w9iA1	A: alpha bundles	X: Multidrug efflux transporter AcrB transmembrane domain (From Topology)	H: Multidrug efflux transporter AcrB transmembrane domain (From Topology)	T: Multidrug efflux transporter AcrB transmembrane domain	F: ACR_tran_4th	ECOD (1.6)
A	ACR_tran_1st	e3w9iA3	A: a+b two layers	X: Alpha-beta plaits	H: Ferredoxin domains in multidrug efflux transporter	T: Multidrug efflux transporter AcrB pore domain	F: ACR_tran_1st	ECOD (1.6)
A	ACR_tran_5th	e3w9iA5	A: a+b two layers	X: Alpha-beta plaits	H: Ferredoxin domains in multidrug efflux transporter	T: Multidrug efflux transporter AcrB pore domain	F: ACR_tran_5th	ECOD (1.6)
A	ACR_tran_3rd	e3w9iA4	A: a+b two layers	X: Alpha-beta plaits	H: Ferredoxin domains in multidrug efflux transporter	T: Multidrug efflux transporter AcrB pore domain	F: ACR_tran_3rd	ECOD (1.6)
A	ACR_tran_6th	e3w9iA6	A: a+b two layers	X: Alpha-beta plaits	H: Ferredoxin domains in multidrug efflux transporter	T: Multidrug efflux transporter AcrB pore domain	F: ACR_tran_6th	ECOD (1.6)
A	ACR_tran_2nd	e3w9iA7	A: a+b two layers	X: Alpha-beta plaits	H: Ferredoxin domains in multidrug efflux transporter	T: Multidrug efflux transporter AcrB TolC docking domain	F: ACR_tran_2nd	ECOD (1.6)
A	ACR_tran_6th_1	e3w9iA8	A: a+b two layers	X: Alpha-beta plaits	H: Ferredoxin domains in multidrug efflux transporter	T: Multidrug efflux transporter AcrB TolC docking domain	F: ACR_tran_6th_1	ECOD (1.6)
B	ACR_tran_4th	e3w9iB21	A: alpha bundles	X: Multidrug efflux transporter AcrB transmembrane domain (From Topology)	H: Multidrug efflux transporter AcrB transmembrane domain (From Topology)	T: Multidrug efflux transporter AcrB transmembrane domain	F: ACR_tran_4th	ECOD (1.6)
B	ACR_tran_1st	e3w9iB5	A: a+b two layers	X: Alpha-beta plaits	H: Ferredoxin domains in multidrug efflux transporter	T: Multidrug efflux transporter AcrB pore domain	F: ACR_tran_1st	ECOD (1.6)
B	ACR_tran_5th	e3w9iB16	A: a+b two layers	X: Alpha-beta plaits	H: Ferredoxin domains in multidrug efflux transporter	T: Multidrug efflux transporter AcrB pore domain	F: ACR_tran_5th	ECOD (1.6)
B	ACR_tran_3rd	e3w9iB22	A: a+b two layers	X: Alpha-beta plaits	H: Ferredoxin domains in multidrug efflux transporter	T: Multidrug efflux transporter AcrB pore domain	F: ACR_tran_3rd	ECOD (1.6)
B	ACR_tran_6th	e3w9iB20	A: a+b two layers	X: Alpha-beta plaits	H: Ferredoxin domains in multidrug efflux transporter	T: Multidrug efflux transporter AcrB pore domain	F: ACR_tran_6th	ECOD (1.6)
B	ACR_tran_2nd	e3w9iB18	A: a+b two layers	X: Alpha-beta plaits	H: Ferredoxin domains in multidrug efflux transporter	T: Multidrug efflux transporter AcrB TolC docking domain	F: ACR_tran_2nd	ECOD (1.6)
B	ACR_tran_6th_1	e3w9iB17	A: a+b two layers	X: Alpha-beta plaits	H: Ferredoxin domains in multidrug efflux transporter	T: Multidrug efflux transporter AcrB TolC docking domain	F: ACR_tran_6th_1	ECOD (1.6)
C	ACR_tran_4th	e3w9iC21	A: alpha bundles	X: Multidrug efflux transporter AcrB transmembrane domain (From Topology)	H: Multidrug efflux transporter AcrB transmembrane domain (From Topology)	T: Multidrug efflux transporter AcrB transmembrane domain	F: ACR_tran_4th	ECOD (1.6)
C	ACR_tran_1st	e3w9iC5	A: a+b two layers	X: Alpha-beta plaits	H: Ferredoxin domains in multidrug efflux transporter	T: Multidrug efflux transporter AcrB pore domain	F: ACR_tran_1st	ECOD (1.6)
C	ACR_tran_5th	e3w9iC16	A: a+b two layers	X: Alpha-beta plaits	H: Ferredoxin domains in multidrug efflux transporter	T: Multidrug efflux transporter AcrB pore domain	F: ACR_tran_5th	ECOD (1.6)
C	ACR_tran_3rd	e3w9iC22	A: a+b two layers	X: Alpha-beta plaits	H: Ferredoxin domains in multidrug efflux transporter	T: Multidrug efflux transporter AcrB pore domain	F: ACR_tran_3rd	ECOD (1.6)
C	ACR_tran_6th	e3w9iC20	A: a+b two layers	X: Alpha-beta plaits	H: Ferredoxin domains in multidrug efflux transporter	T: Multidrug efflux transporter AcrB pore domain	F: ACR_tran_6th	ECOD (1.6)
C	ACR_tran_2nd	e3w9iC18	A: a+b two layers	X: Alpha-beta plaits	H: Ferredoxin domains in multidrug efflux transporter	T: Multidrug efflux transporter AcrB TolC docking domain	F: ACR_tran_2nd	ECOD (1.6)
C	ACR_tran_6th_1	e3w9iC17	A: a+b two layers	X: Alpha-beta plaits	H: Ferredoxin domains in multidrug efflux transporter	T: Multidrug efflux transporter AcrB TolC docking domain	F: ACR_tran_6th_1	ECOD (1.6)
D	ACR_tran_4th	e3w9iD2	A: alpha bundles	X: Multidrug efflux transporter AcrB transmembrane domain (From Topology)	H: Multidrug efflux transporter AcrB transmembrane domain (From Topology)	T: Multidrug efflux transporter AcrB transmembrane domain	F: ACR_tran_4th	ECOD (1.6)
D	ACR_tran_1st	e3w9iD5	A: a+b two layers	X: Alpha-beta plaits	H: Ferredoxin domains in multidrug efflux transporter	T: Multidrug efflux transporter AcrB pore domain	F: ACR_tran_1st	ECOD (1.6)
D	ACR_tran_5th	e3w9iD3	A: a+b two layers	X: Alpha-beta plaits	H: Ferredoxin domains in multidrug efflux transporter	T: Multidrug efflux transporter AcrB pore domain	F: ACR_tran_5th	ECOD (1.6)
D	ACR_tran_3rd	e3w9iD8	A: a+b two layers	X: Alpha-beta plaits	H: Ferredoxin domains in multidrug efflux transporter	T: Multidrug efflux transporter AcrB pore domain	F: ACR_tran_3rd	ECOD (1.6)
D	ACR_tran_6th	e3w9iD7	A: a+b two layers	X: Alpha-beta plaits	H: Ferredoxin domains in multidrug efflux transporter	T: Multidrug efflux transporter AcrB pore domain	F: ACR_tran_6th	ECOD (1.6)
D	ACR_tran_2nd	e3w9iD6	A: a+b two layers	X: Alpha-beta plaits	H: Ferredoxin domains in multidrug efflux transporter	T: Multidrug efflux transporter AcrB TolC docking domain	F: ACR_tran_2nd	ECOD (1.6)
D	ACR_tran_6th_1	e3w9iD4	A: a+b two layers	X: Alpha-beta plaits	H: Ferredoxin domains in multidrug efflux transporter	T: Multidrug efflux transporter AcrB TolC docking domain	F: ACR_tran_6th_1	ECOD (1.6)
E	ACR_tran_4th	e3w9iE21	A: alpha bundles	X: Multidrug efflux transporter AcrB transmembrane domain (From Topology)	H: Multidrug efflux transporter AcrB transmembrane domain (From Topology)	T: Multidrug efflux transporter AcrB transmembrane domain	F: ACR_tran_4th	ECOD (1.6)
E	ACR_tran_1st	e3w9iE5	A: a+b two layers	X: Alpha-beta plaits	H: Ferredoxin domains in multidrug efflux transporter	T: Multidrug efflux transporter AcrB pore domain	F: ACR_tran_1st	ECOD (1.6)
E	ACR_tran_5th	e3w9iE16	A: a+b two layers	X: Alpha-beta plaits	H: Ferredoxin domains in multidrug efflux transporter	T: Multidrug efflux transporter AcrB pore domain	F: ACR_tran_5th	ECOD (1.6)
E	ACR_tran_3rd	e3w9iE22	A: a+b two layers	X: Alpha-beta plaits	H: Ferredoxin domains in multidrug efflux transporter	T: Multidrug efflux transporter AcrB pore domain	F: ACR_tran_3rd	ECOD (1.6)
E	ACR_tran_6th	e3w9iE20	A: a+b two layers	X: Alpha-beta plaits	H: Ferredoxin domains in multidrug efflux transporter	T: Multidrug efflux transporter AcrB pore domain	F: ACR_tran_6th	ECOD (1.6)
E	ACR_tran_2nd	e3w9iE18	A: a+b two layers	X: Alpha-beta plaits	H: Ferredoxin domains in multidrug efflux transporter	T: Multidrug efflux transporter AcrB TolC docking domain	F: ACR_tran_2nd	ECOD (1.6)
E	ACR_tran_6th_1	e3w9iE17	A: a+b two layers	X: Alpha-beta plaits	H: Ferredoxin domains in multidrug efflux transporter	T: Multidrug efflux transporter AcrB TolC docking domain	F: ACR_tran_6th_1	ECOD (1.6)
F	ACR_tran_4th	e3w9iF6	A: alpha bundles	X: Multidrug efflux transporter AcrB transmembrane domain (From Topology)	H: Multidrug efflux transporter AcrB transmembrane domain (From Topology)	T: Multidrug efflux transporter AcrB transmembrane domain	F: ACR_tran_4th	ECOD (1.6)
F	ACR_tran_1st	e3w9iF7	A: a+b two layers	X: Alpha-beta plaits	H: Ferredoxin domains in multidrug efflux transporter	T: Multidrug efflux transporter AcrB pore domain	F: ACR_tran_1st	ECOD (1.6)
F	ACR_tran_5th	e3w9iF5	A: a+b two layers	X: Alpha-beta plaits	H: Ferredoxin domains in multidrug efflux transporter	T: Multidrug efflux transporter AcrB pore domain	F: ACR_tran_5th	ECOD (1.6)
F	ACR_tran_3rd	e3w9iF2	A: a+b two layers	X: Alpha-beta plaits	H: Ferredoxin domains in multidrug efflux transporter	T: Multidrug efflux transporter AcrB pore domain	F: ACR_tran_3rd	ECOD (1.6)
F	ACR_tran_6th	e3w9iF3	A: a+b two layers	X: Alpha-beta plaits	H: Ferredoxin domains in multidrug efflux transporter	T: Multidrug efflux transporter AcrB pore domain	F: ACR_tran_6th	ECOD (1.6)
F	ACR_tran_2nd	e3w9iF1	A: a+b two layers	X: Alpha-beta plaits	H: Ferredoxin domains in multidrug efflux transporter	T: Multidrug efflux transporter AcrB TolC docking domain	F: ACR_tran_2nd	ECOD (1.6)
F	ACR_tran_6th_1	e3w9iF4	A: a+b two layers	X: Alpha-beta plaits	H: Ferredoxin domains in multidrug efflux transporter	T: Multidrug efflux transporter AcrB TolC docking domain	F: ACR_tran_6th_1	ECOD (1.6)

Domain Annotation: CATH CATH Database Homepage

Chain	Domain	Class	Architecture	Topology	Homology	Provenance Source (Version)
A	1.20.1640.10	Mainly Alpha	Up-down Bundle	Multidrug efflux transporter AcrB transmembrane fold	Multidrug efflux transporter AcrB transmembrane domain	CATH (4.3.0)
A	3.30.70.1430	Alpha Beta	2-Layer Sandwich	Alpha-Beta Plaits	Multidrug efflux transporter AcrB pore domain	CATH (4.3.0)
A	3.30.70.1320	Alpha Beta	2-Layer Sandwich	Alpha-Beta Plaits	Multidrug efflux transporter AcrB pore domain like	CATH (4.3.0)
A	3.30.2090.10	Alpha Beta	2-Layer Sandwich	Multidrug efflux transporter AcrB TolC docking domain	DN and DC subdomains	CATH (4.3.0)
A	3.30.70.1440	Alpha Beta	2-Layer Sandwich	Alpha-Beta Plaits	Multidrug efflux transporter AcrB pore domain	CATH (4.3.0)
B	1.20.1640.10	Mainly Alpha	Up-down Bundle	Multidrug efflux transporter AcrB transmembrane fold	Multidrug efflux transporter AcrB transmembrane domain	CATH (4.3.0)
B	3.30.70.1430	Alpha Beta	2-Layer Sandwich	Alpha-Beta Plaits	Multidrug efflux transporter AcrB pore domain	CATH (4.3.0)
B	3.30.70.1320	Alpha Beta	2-Layer Sandwich	Alpha-Beta Plaits	Multidrug efflux transporter AcrB pore domain like	CATH (4.3.0)
B	3.30.2090.10	Alpha Beta	2-Layer Sandwich	Multidrug efflux transporter AcrB TolC docking domain	DN and DC subdomains	CATH (4.3.0)
B	3.30.70.1440	Alpha Beta	2-Layer Sandwich	Alpha-Beta Plaits	Multidrug efflux transporter AcrB pore domain	CATH (4.3.0)
C	1.20.1640.10	Mainly Alpha	Up-down Bundle	Multidrug efflux transporter AcrB transmembrane fold	Multidrug efflux transporter AcrB transmembrane domain	CATH (4.3.0)
C	3.30.70.1430	Alpha Beta	2-Layer Sandwich	Alpha-Beta Plaits	Multidrug efflux transporter AcrB pore domain	CATH (4.3.0)
C	3.30.70.1320	Alpha Beta	2-Layer Sandwich	Alpha-Beta Plaits	Multidrug efflux transporter AcrB pore domain like	CATH (4.3.0)
C	3.30.2090.10	Alpha Beta	2-Layer Sandwich	Multidrug efflux transporter AcrB TolC docking domain	DN and DC subdomains	CATH (4.3.0)
C	3.30.70.1440	Alpha Beta	2-Layer Sandwich	Alpha-Beta Plaits	Multidrug efflux transporter AcrB pore domain	CATH (4.3.0)
D	1.20.1640.10	Mainly Alpha	Up-down Bundle	Multidrug efflux transporter AcrB transmembrane fold	Multidrug efflux transporter AcrB transmembrane domain	CATH (4.3.0)
D	3.30.70.1430	Alpha Beta	2-Layer Sandwich	Alpha-Beta Plaits	Multidrug efflux transporter AcrB pore domain	CATH (4.3.0)
D	3.30.70.1320	Alpha Beta	2-Layer Sandwich	Alpha-Beta Plaits	Multidrug efflux transporter AcrB pore domain like	CATH (4.3.0)
D	3.30.2090.10	Alpha Beta	2-Layer Sandwich	Multidrug efflux transporter AcrB TolC docking domain	DN and DC subdomains	CATH (4.3.0)
D	3.30.70.1440	Alpha Beta	2-Layer Sandwich	Alpha-Beta Plaits	Multidrug efflux transporter AcrB pore domain	CATH (4.3.0)
E	1.20.1640.10	Mainly Alpha	Up-down Bundle	Multidrug efflux transporter AcrB transmembrane fold	Multidrug efflux transporter AcrB transmembrane domain	CATH (4.3.0)
E	3.30.70.1430	Alpha Beta	2-Layer Sandwich	Alpha-Beta Plaits	Multidrug efflux transporter AcrB pore domain	CATH (4.3.0)
E	3.30.70.1320	Alpha Beta	2-Layer Sandwich	Alpha-Beta Plaits	Multidrug efflux transporter AcrB pore domain like	CATH (4.3.0)
E	3.30.2090.10	Alpha Beta	2-Layer Sandwich	Multidrug efflux transporter AcrB TolC docking domain	DN and DC subdomains	CATH (4.3.0)
E	3.30.70.1440	Alpha Beta	2-Layer Sandwich	Alpha-Beta Plaits	Multidrug efflux transporter AcrB pore domain	CATH (4.3.0)
F	1.20.1640.10	Mainly Alpha	Up-down Bundle	Multidrug efflux transporter AcrB transmembrane fold	Multidrug efflux transporter AcrB transmembrane domain	CATH (4.3.0)
F	3.30.70.1430	Alpha Beta	2-Layer Sandwich	Alpha-Beta Plaits	Multidrug efflux transporter AcrB pore domain	CATH (4.3.0)
F	3.30.70.1320	Alpha Beta	2-Layer Sandwich	Alpha-Beta Plaits	Multidrug efflux transporter AcrB pore domain like	CATH (4.3.0)
F	3.30.2090.10	Alpha Beta	2-Layer Sandwich	Multidrug efflux transporter AcrB TolC docking domain	DN and DC subdomains	CATH (4.3.0)
F	3.30.70.1440	Alpha Beta	2-Layer Sandwich	Alpha-Beta Plaits	Multidrug efflux transporter AcrB pore domain	CATH (4.3.0)

AMR Gene: CARD Annotation CARD Database Homepage

Chains	Accession	Short Name	Description	Provenance Source (Version)
A, B, C, D, E A, B, C, D, E, F	ARO:3000378	MexB	MexB is the inner membrane multidrug exporter of the efflux complex MexAB-OprM.	CARD (3.3.0)

AMR Gene Family: CARD Annotation CARD Database Homepage

Chains	Accession	Gene Family	Drug Class	Resistance Machanism	Provenance Source (Version)
A, B, C, D, E A, B, C, D, E, F	ARO:0010004	resistance-nodulation-cell division (RND) antibiotic efflux pump	macrolide antibiotic, fluoroquinolone antibiotic, monobactam, carbapenem, cephalosporin, cephamycin, penam, tetracycline antibiotic, peptide antibiotic, aminocoumarin antibiotic, diaminopyrimidine antibiotic, sulfonamide antibiotic, phenicol antibiotic, penem	antibiotic efflux	CARD (3.3.0)

Protein Family Annotation Pfam Database Homepage

Chains	Accession	Name	Description	Comments	Source
A, B, C, D, E A, B, C, D, E, F	PF00873	AcrB/AcrD/AcrF family (ACR_tran)	AcrB/AcrD/AcrF family	-	Family

Gene Ontology: Gene Product Annotation Gene Ontology Database Homepage

Chains	Polymer	Molecular Function	Biological Process	Cellular Component
A, B, C, D, E A, B, C, D, E, F	Multidrug resistance protein MexB	efflux transmembrane transporter activity transporter activity transmembrane transporter activity xenobiotic transmembrane transporter activity	transmembrane transport localization transport cellular process establishment of localization response to stimulus response to chemical response to antibiotic	cell periphery cellular anatomical structure plasma membrane membrane

InterPro: Protein Family Classification InterPro Database Homepage

Chains	Accession	Name	Type
A, B, C, D, E A, B, C, D, E, F	IPR001036	Acriflavin resistance protein	Family
A, B, C, D, E A, B, C, D, E, F	IPR004764	Multidrug resistance protein MdtF-like	Family
A, B, C, D, E A, B, C, D, E, F	IPR027463	Multidrug efflux transporter AcrB TolC docking domain, DN/DC subdomains	Homologous Superfamily

Membrane Protein Annotation: OPM OPM Database Homepage

Chains	External Link	Type	Class	Superfamily	Family
A, B, C, D, E A, B, C, D, E, F	OPM	Transmembrane	Alpha-helical polytopic	Resistance-nodulation-cell division	Hydrophobe/amphiphile efflux-1 family

Membrane Protein Annotation: PDBTM PDBTM Database Homepage

Chains	External Link	Comment
A, B, C, D, E A, B, C, D, E, F	PDBTM	Annotated as membrane protein by PDBTM

Membrane Protein Annotation: MemProtMD MemProtMD Database Homepage

Chains	External Link	Comment
A, B, C, D, E A, B, C, D, E, F	MemProtMD	Annotated as membrane protein by MemProtMD

Membrane Protein Annotation: mpstruc mpstruc Database Homepage

Chains	Resource Link	Group	Subgroup	Protein
A, B, C, D, E A, B, C, D, E, F	mpstruc	TRANSMEMBRANE PROTEINS: ALPHA-HELICAL	Multi-Drug Efflux Transporters	MexB bacterial multi-drug efflux transporter with bound ABI-PP inhibitor