Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

3W9I

Structural basis for the inhibition of bacterial multidrug exporters

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0005515	molecular_function	protein binding
A	0005886	cellular_component	plasma membrane
A	0009636	biological_process	response to toxic substance
A	0015297	molecular_function	antiporter activity
A	0015562	molecular_function	efflux transmembrane transporter activity
A	0016020	cellular_component	membrane
A	0022857	molecular_function	transmembrane transporter activity
A	0042908	biological_process	xenobiotic transport
A	0042910	molecular_function	xenobiotic transmembrane transporter activity
A	0046677	biological_process	response to antibiotic
A	0055085	biological_process	transmembrane transport
A	0140330	biological_process	xenobiotic detoxification by transmembrane export across the cell outer membrane
A	1990281	cellular_component	efflux pump complex
B	0005515	molecular_function	protein binding
B	0005886	cellular_component	plasma membrane
B	0009636	biological_process	response to toxic substance
B	0015297	molecular_function	antiporter activity
B	0015562	molecular_function	efflux transmembrane transporter activity
B	0016020	cellular_component	membrane
B	0022857	molecular_function	transmembrane transporter activity
B	0042908	biological_process	xenobiotic transport
B	0042910	molecular_function	xenobiotic transmembrane transporter activity
B	0046677	biological_process	response to antibiotic
B	0055085	biological_process	transmembrane transport
B	0140330	biological_process	xenobiotic detoxification by transmembrane export across the cell outer membrane
B	1990281	cellular_component	efflux pump complex
C	0005515	molecular_function	protein binding
C	0005886	cellular_component	plasma membrane
C	0009636	biological_process	response to toxic substance
C	0015297	molecular_function	antiporter activity
C	0015562	molecular_function	efflux transmembrane transporter activity
C	0016020	cellular_component	membrane
C	0022857	molecular_function	transmembrane transporter activity
C	0042908	biological_process	xenobiotic transport
C	0042910	molecular_function	xenobiotic transmembrane transporter activity
C	0046677	biological_process	response to antibiotic
C	0055085	biological_process	transmembrane transport
C	0140330	biological_process	xenobiotic detoxification by transmembrane export across the cell outer membrane
C	1990281	cellular_component	efflux pump complex
D	0005515	molecular_function	protein binding
D	0005886	cellular_component	plasma membrane
D	0009636	biological_process	response to toxic substance
D	0015297	molecular_function	antiporter activity
D	0015562	molecular_function	efflux transmembrane transporter activity
D	0016020	cellular_component	membrane
D	0022857	molecular_function	transmembrane transporter activity
D	0042908	biological_process	xenobiotic transport
D	0042910	molecular_function	xenobiotic transmembrane transporter activity
D	0046677	biological_process	response to antibiotic
D	0055085	biological_process	transmembrane transport
D	0140330	biological_process	xenobiotic detoxification by transmembrane export across the cell outer membrane
D	1990281	cellular_component	efflux pump complex
E	0005515	molecular_function	protein binding
E	0005886	cellular_component	plasma membrane
E	0009636	biological_process	response to toxic substance
E	0015297	molecular_function	antiporter activity
E	0015562	molecular_function	efflux transmembrane transporter activity
E	0016020	cellular_component	membrane
E	0022857	molecular_function	transmembrane transporter activity
E	0042908	biological_process	xenobiotic transport
E	0042910	molecular_function	xenobiotic transmembrane transporter activity
E	0046677	biological_process	response to antibiotic
E	0055085	biological_process	transmembrane transport
E	0140330	biological_process	xenobiotic detoxification by transmembrane export across the cell outer membrane
E	1990281	cellular_component	efflux pump complex
F	0005515	molecular_function	protein binding
F	0005886	cellular_component	plasma membrane
F	0009636	biological_process	response to toxic substance
F	0015297	molecular_function	antiporter activity
F	0015562	molecular_function	efflux transmembrane transporter activity
F	0016020	cellular_component	membrane
F	0022857	molecular_function	transmembrane transporter activity
F	0042908	biological_process	xenobiotic transport
F	0042910	molecular_function	xenobiotic transmembrane transporter activity
F	0046677	biological_process	response to antibiotic
F	0055085	biological_process	transmembrane transport
F	0140330	biological_process	xenobiotic detoxification by transmembrane export across the cell outer membrane
F	1990281	cellular_component	efflux pump complex

Functional Information from PDB Data

site_id	AC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE LMT A 1101

Chain	Residue
A	ILE27
A	LEU28
A	SER29
A	LEU30
A	VAL341
A	LEU377
B	LMT2004

site_id	AC2
Number of Residues	8
Details	BINDING SITE FOR RESIDUE LMT A 1102

Chain	Residue
A	MET20
A	ARG363
A	LEU377
A	LEU492
A	THR495
A	MET496
A	TRP13
A	LEU17

site_id	AC3
Number of Residues	11
Details	BINDING SITE FOR RESIDUE LMT B 2001

Chain	Residue
B	SER48
B	GLN125
B	ARG128
B	LYS151
B	PHE178
B	GLY179
B	SER180
B	GLN273
B	ASP274
B	PHE628
C	LEU117

site_id	AC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE LMT B 2002

Chain	Residue
A	ARG8
A	PHE11
B	MET447
B	LEU890
B	GLU946
B	GLU950
B	GLU953

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE LMT B 2003

Chain	Residue
B	PHE386
B	PHE458
B	GLY460
B	ARG468
B	ILE472
B	LMT2004

site_id	AC6
Number of Residues	13
Details	BINDING SITE FOR RESIDUE LMT B 2004

Chain	Residue
A	LEU25
A	LEU28
A	LMT1101
B	MET447
B	ALA451
B	PRO455
B	PHE458
B	SER870
B	GLN871
B	ALA874
B	LEU875
B	LEU878
B	LMT2003

site_id	AC7
Number of Residues	7
Details	BINDING SITE FOR RESIDUE LMT C 2001

Chain	Residue
A	PHE458
A	GLY460
A	CYS886
C	ALA22
C	LEU25
C	SER26
C	SER29

site_id	AC8
Number of Residues	7
Details	BINDING SITE FOR RESIDUE LMT C 2002

Chain	Residue
C	MET1
C	SER2
C	LYS3
C	GLY436
C	GLN439
C	ILE483
C	LEU486

site_id	AC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE LMT D 2001

Chain	Residue
D	LEU454
D	PHE458
D	PHE459
D	GLY460
D	GLN871
F	SER26
F	SER29

site_id	BC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE LMT D 2002

Chain	Residue
D	ILE27
D	LEU28
D	LEU377
E	LMT2001

site_id	BC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE LMT D 2003

Chain	Residue
D	TRP13
D	LEU17
D	ARG363
D	LEU492
D	THR495
D	MET496

site_id	BC3
Number of Residues	9
Details	BINDING SITE FOR RESIDUE LMT E 2001

Chain	Residue
D	LMT2002
E	MET447
E	PHE458
E	SER870
E	GLN871
E	LEU875
E	LEU878
E	LMT2002
E	LMT2003

site_id	BC4
Number of Residues	11
Details	BINDING SITE FOR RESIDUE LMT E 2002

Chain	Residue
E	LEU890
E	GLU946
E	GLU953
E	LMT2001
D	ARG8
D	PHE11
D	VAL18
E	GLY436
E	GLY440
E	GLY444
E	MET447

site_id	BC5
Number of Residues	8
Details	BINDING SITE FOR RESIDUE LMT E 2003

Chain	Residue
E	PHE386
E	ALA457
E	PHE458
E	GLY460
E	ARG468
E	ILE472
E	GLN871
E	LMT2001

site_id	BC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE LMT F 2001

Chain	Residue
F	MET1
F	SER2
F	GLY436
F	GLN439

site_id	BC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE LMT F 2002

Chain	Residue
F	PHE458
F	PHE459
F	SER870
F	GLN871
F	ALA874

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	590
Details	Topological domain: {"description":"Cytoplasmic","evidences":[{"source":"PubMed","id":"10187844","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	1404
Details	Transmembrane: {"description":"Helical"}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	3629
Details	Topological domain: {"description":"Periplasmic","evidences":[{"source":"PubMed","id":"10187844","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)