Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

3W9J

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	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
B	0005515	molecular_function	protein binding
B	0005886	cellular_component	plasma membrane
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
C	0005515	molecular_function	protein binding
C	0005886	cellular_component	plasma membrane
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
D	0005515	molecular_function	protein binding
D	0005886	cellular_component	plasma membrane
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
E	0005515	molecular_function	protein binding
E	0005886	cellular_component	plasma membrane
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
F	0005515	molecular_function	protein binding
F	0005886	cellular_component	plasma membrane
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

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE LMT A 2001

Chain	Residue
A	PHE458
A	GLY460
A	GLN871
A	CYS886
C	LEU25
C	SER29

site_id	AC2
Number of Residues	8
Details	BINDING SITE FOR RESIDUE LMT A 2002

Chain	Residue
A	LEU30
A	VAL341
A	LEU377
A	PHE380
B	LMT2004
A	ILE27
A	LEU28
A	SER29

site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE LMT A 2003

Chain	Residue
A	TRP13
A	LEU17
A	ARG363
A	LEU492
A	THR495

site_id	AC4
Number of Residues	17
Details	BINDING SITE FOR RESIDUE P9D B 2001

Chain	Residue
B	ARG128
B	PHE136
B	VAL139
B	LYS151
B	GLN176
B	VAL177
B	PHE178
B	GLY179
B	ILE277
B	ALA279
B	TYR327
B	PHE573
B	PHE610
B	VAL612
B	ARG620
B	PHE628
B	MET630

site_id	AC5
Number of Residues	8
Details	BINDING SITE FOR RESIDUE LMT B 2002

Chain	Residue
A	PHE11
B	GLY440
B	ALA889
B	LEU890
B	GLU946
B	LYS949
B	GLU950
B	GLU953

site_id	AC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE LMT B 2003

Chain	Residue
B	PHE386
B	PHE458
B	ILE472
B	VAL475
B	LMT2004

site_id	AC7
Number of Residues	9
Details	BINDING SITE FOR RESIDUE LMT B 2004

Chain	Residue
A	LMT2002
B	PRO455
B	PHE458
B	SER870
B	GLN871
B	ALA874
B	LEU875
B	LEU878
B	LMT2003

site_id	AC8
Number of Residues	7
Details	BINDING SITE FOR RESIDUE LMT C 2001

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

site_id	AC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE LMT D 2001

Chain	Residue
D	PHE458
D	PHE459
D	GLY460
D	GLN871
F	LEU25
F	SER29

site_id	BC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE LMT D 2002

Chain	Residue
D	ILE27
D	LEU28
D	LEU30
D	VAL341
D	LEU377
E	LMT2004

site_id	BC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE LMT D 2003

Chain	Residue
D	TRP13
D	ARG363
D	LEU492
D	THR495

site_id	BC3
Number of Residues	17
Details	BINDING SITE FOR RESIDUE P9D E 2001

Chain	Residue
E	GLN46
E	ARG128
E	PHE136
E	LYS151
E	GLN176
E	VAL177
E	PHE178
E	GLY179
E	ILE277
E	ALA279
E	TYR327
E	PHE573
E	PHE610
E	VAL612
E	PHE615
E	ARG620
E	PHE628

site_id	BC4
Number of Residues	10
Details	BINDING SITE FOR RESIDUE LMT E 2002

Chain	Residue
D	PHE11
E	GLY440
E	GLY444
E	MET447
E	ALA889
E	GLU946
E	LYS949
E	GLU950
E	GLU953
D	ARG8

site_id	BC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE LMT E 2003

Chain	Residue
E	PHE386
E	PHE458
E	GLY460
E	ILE472
E	LEU867
E	GLN871
E	LMT2004

site_id	BC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE LMT E 2004

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

site_id	BC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE LMT F 2001

Chain	Residue
F	MET1
F	SER2
F	GLY436
F	GLN439

site_id	BC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE LMT F 2002

Chain	Residue
F	LEU454
F	PHE458
F	PHE459
F	SER870
F	ALA874

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	780
Details	TOPO_DOM: Cytoplasmic => ECO:0000269\|PubMed:10187844

Chain	Residue	Details
A	MET1-PRO9
B	GLU414-ALA441
B	LEU497-ARG538
B	GLU892-PRO897
B	GLU946-PRO972
B	SER1028-GLN1046
C	MET1-PRO9
C	GLN360-THR365
C	GLU414-ALA441
C	LEU497-ARG538
C	GLU892-PRO897
A	GLN360-THR365
C	GLU946-PRO972
C	SER1028-GLN1046
D	MET1-PRO9
D	GLN360-THR365
D	GLU414-ALA441
D	LEU497-ARG538
D	GLU892-PRO897
D	GLU946-PRO972
D	SER1028-GLN1046
E	MET1-PRO9
A	GLU414-ALA441
E	GLN360-THR365
E	GLU414-ALA441
E	LEU497-ARG538
E	GLU892-PRO897
E	GLU946-PRO972
E	SER1028-GLN1046
F	MET1-PRO9
F	GLN360-THR365
F	GLU414-ALA441
F	LEU497-ARG538
A	LEU497-ARG538
F	GLU892-PRO897
F	GLU946-PRO972
F	SER1028-GLN1046
A	GLU892-PRO897
A	GLU946-PRO972
A	SER1028-GLN1046
B	MET1-PRO9
B	GLN360-THR365

site_id	SWS_FT_FI2
Number of Residues	1404
Details	TRANSMEM: Helical

Chain	Residue	Details
A	ILE10-LEU28
A	VAL924-VAL945
A	ILE973-THR991
A	VAL1005-VAL1027
B	ILE10-LEU28
B	VAL340-LEU359
B	LEU366-ALA385
B	THR392-VAL413
B	LEU442-GLY460
B	ILE474-MET496
B	ALA539-THR557
A	VAL340-LEU359
B	ALA872-TYR891
B	PHE898-MET917
B	VAL924-VAL945
B	ILE973-THR991
B	VAL1005-VAL1027
C	ILE10-LEU28
C	VAL340-LEU359
C	LEU366-ALA385
C	THR392-VAL413
C	LEU442-GLY460
A	LEU366-ALA385
C	ILE474-MET496
C	ALA539-THR557
C	ALA872-TYR891
C	PHE898-MET917
C	VAL924-VAL945
C	ILE973-THR991
C	VAL1005-VAL1027
D	ILE10-LEU28
D	VAL340-LEU359
D	LEU366-ALA385
A	THR392-VAL413
D	THR392-VAL413
D	LEU442-GLY460
D	ILE474-MET496
D	ALA539-THR557
D	ALA872-TYR891
D	PHE898-MET917
D	VAL924-VAL945
D	ILE973-THR991
D	VAL1005-VAL1027
E	ILE10-LEU28
A	LEU442-GLY460
E	VAL340-LEU359
E	LEU366-ALA385
E	THR392-VAL413
E	LEU442-GLY460
E	ILE474-MET496
E	ALA539-THR557
E	ALA872-TYR891
E	PHE898-MET917
E	VAL924-VAL945
E	ILE973-THR991
A	ILE474-MET496
E	VAL1005-VAL1027
F	ILE10-LEU28
F	VAL340-LEU359
F	LEU366-ALA385
F	THR392-VAL413
F	LEU442-GLY460
F	ILE474-MET496
F	ALA539-THR557
F	ALA872-TYR891
F	PHE898-MET917
A	ALA539-THR557
F	VAL924-VAL945
F	ILE973-THR991
F	VAL1005-VAL1027
A	ALA872-TYR891
A	PHE898-MET917

site_id	SWS_FT_FI3
Number of Residues	3942
Details	TOPO_DOM: Periplasmic => ECO:0000269\|PubMed:10187844

Chain	Residue	Details
A	SER29-GLU339
B	ARG558-GLN871
B	ARG918-ASP923
B	GLY992-GLY1004
C	SER29-GLU339
C	PHE386-ASN391
C	GLY461-THR473
C	ARG558-GLN871
C	ARG918-ASP923
C	GLY992-GLY1004
D	SER29-GLU339
A	PHE386-ASN391
D	PHE386-ASN391
D	GLY461-THR473
D	ARG558-GLN871
D	ARG918-ASP923
D	GLY992-GLY1004
E	SER29-GLU339
E	PHE386-ASN391
E	GLY461-THR473
E	ARG558-GLN871
E	ARG918-ASP923
A	GLY461-THR473
E	GLY992-GLY1004
F	SER29-GLU339
F	PHE386-ASN391
F	GLY461-THR473
F	ARG558-GLN871
F	ARG918-ASP923
F	GLY992-GLY1004
A	ARG558-GLN871
A	ARG918-ASP923
A	GLY992-GLY1004
B	SER29-GLU339
B	PHE386-ASN391
B	GLY461-THR473

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