Multidrug efflux pump subunit AcrB
Escherichia coli K12
State in the Current Structure
| Assembly | Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Associated Components | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|
| 1 | Protein heterocomplex Heteromer Protein × 5 PDB declaration: pentameric（5） Consistent with protein copy count | Chain A； UniProt 1–1049 Chain B； UniProt 1–1049 Chain C； UniProt 1–1049 | Not recorded | DARPin × 2 | ELECTRON MICROSCOPY cryo-EM buffer：pH 7.5 cryo-EM vitrification conditions：Cryogen ETHANE | Resolution 3.27 Å |
Other States of the Same Protein in the Database
Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.
| Other PDB | Difference from Current Entry 6SGU | Assembly / Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Non-polymers | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|---|
| 1IWG Crystal structure of Bacterial Multidrug Efflux transporter AcrB Deposited 2002-05-15 | Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
1–1049（1049 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.1；298 K；PEG 2000, Sodium phosphate, sodium citrate, glycerol, dodecyl maltoside, pH 6.1, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 3.50 Å R-free 0.355 |
| 1OY6 Structural Basis of the Multiple Binding Capacity of the AcrB Multidrug Efflux Pump Deposited 2003-04-03 | Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
1–1049（1049 aa）
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 3.68 Å R-free 0.330 |
| 1OY8 Structural Basis of Multiple Drug Binding Capacity of the AcrB Multidrug Efflux Pump Deposited 2003-04-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
1–1049（1049 aa）
|
Not recorded | RHQ RHODAMINE 6G × 3 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 3.63 Å R-free 0.322 |
| 1OY9 Structural Basis of Multiple Drug Binding Capacity of the AcrB Multidrug Efflux Pump Deposited 2003-04-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
1–1049（1049 aa）
|
Not recorded | ET ETHIDIUM × 3 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 3.80 Å R-free 0.344 |
| 1OYD Structural Basis of Multiple Binding Capacity of the AcrB multidrug Efflux Pump Deposited 2003-04-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
1–1049（1049 aa）
|
Not recorded | DEQ DEQUALINIUM × 3 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 3.80 Å R-free 0.338 |
| 1OYE Structural Basis of Multiple Binding Capacity of the AcrB multidrug Efflux Pump Deposited 2003-04-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
1–1049（1049 aa）
|
Not recorded | CPF 1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID × 3 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 3.48 Å R-free 0.323 |
| 1T9T Structural Basis of Multidrug transport by the AcrB Multidrug Efflux Pump Deposited 2004-05-18 | Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
1–1049（1049 aa）
|
Mutation：N109A | No recorded non-water small molecule | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 3.23 Å R-free 0.338 |
| 1T9U Structural Basis of Multidrug Transport by the AcrB Multidrug Efflux Pump Deposited 2004-05-18 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
1–1049（1049 aa）
|
Mutation：N109A | CPF 1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID × 6 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 3.11 Å R-free 0.335 |
| 1T9V Structural Basis of Multidrug Transport by the AcrB Multidrug Efflux Pump Deposited 2004-05-18 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
1–1049（1049 aa）
|
Mutation：N109A | RHQ RHODAMINE 6G × 6 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 3.80 Å R-free 0.331 |
| 1T9W Structural Basis of Multidrug Transport by the AcrB Multidrug Efflux Pump Deposited 2004-05-18 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
1–1049（1049 aa）
|
Mutation：N109A | NFN 6-[[(2-ETHOXY-1-NAPHTHALENYL)CARBONYL]AMINO]-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLATE × 6 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 3.23 Å R-free 0.349 |
| 1T9X Structural Basis of Multidrug Transport by the AcrB Multidrug Efflux Pump Deposited 2004-05-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
1–1049（1049 aa）
|
Mutation：N109A | ET ETHIDIUM × 6 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 3.08 Å R-free 0.359 |
| 1T9Y Structural Basis of Multidrug Transport by the AcrB Multidrug Efflux Pump Deposited 2004-05-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
1–1049（1049 aa）
|
Mutation：N109A | MC2 N2-(L-PHENYLALANYL)-N1-(NAPHTHALENYL)-L-ARIGNINAMIDE × 6 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 3.64 Å R-free 0.340 |
| 2DHH Crystal structure of a multidrug transporter reveal a functionally rotating mechanism Deposited 2006-03-23 | Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；PEG4000, PH 6.1, VAPOR DIFFUSION, SITTING DROP
|
Resolution 2.80 Å R-free 0.307 |
| 2DR6 Crystal structure of a multidrug transporter reveal a functionally rotating mechanism Deposited 2006-06-08 | Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Not recorded | DM2 DOXORUBICIN × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.1；PEG4000, PH 6.1, VAPOR DIFFUSION, SITTING DROP
|
Resolution 3.30 Å R-free 0.359 |
| 2DRD Crystal structure of a multidrug transporter reveal a functionally rotating mechanism Deposited 2006-06-08 | Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Not recorded | MIY (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.1；PEG4000, PH 6.1, VAPOR DIFFUSION, SITTING DROP
|
Resolution 3.10 Å R-free 0.310 |
| 2GIF Asymmetric structure of trimeric AcrB from Escherichia coli Deposited 2006-03-28 | Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Not recorded | FLC CITRATE ANION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 4.6；290 K；5% PEG 400, 16-22% PEG 300, 8-11% glycerol, 70mM sodium citrate, pH 4.6, VAPOR DIFFUSION, temperature 290K
|
Resolution 2.90 Å R-free 0.267 |
| 2HQC Conformation of the AcrB Multidrug Efflux Pump in Mutants of the Putative Proton Relay Pathway Deposited 2006-07-18 | Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
1–1049（1049 aa）
|
Mutation：D407A | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.6；298 K；pH 5.6, vapor diffusion Hanging-drop, temperature 298K
|
Resolution 3.56 Å R-free 0.294 |
| 2HQD Conformation of the AcrB Multidrug Efflux Pump in Mutants of the Putative Proton Relay Pathway Deposited 2006-07-18 | Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
1–1049（1049 aa）
|
Mutation：D408A | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.6；298 K；pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 3.65 Å R-free 0.303 |
| 2HQF Conformation of the AcrB Multidrug Efflux Pump in Mutants of the Putative Proton Relay Pathway Deposited 2006-07-18 | Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
1–1049（1049 aa）
|
Mutation：K940A | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.6；298 K；pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 3.38 Å R-free 0.280 |
| 2HQG Conformation of the AcrB Multidrug Efflux Pump in Mutants of the Putative Proton Relay Pathway Deposited 2006-07-18 | Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
1–1049（1049 aa）
|
Mutation：T978A | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.6；298 K；pH 5.6, vapor diffusion Hanging drop, temperature 298K
|
Resolution 3.38 Å R-free 0.275 |
| 2HRT Asymmetric structure of trimeric AcrB from Escherichia coli Deposited 2006-07-20 | Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Not recorded | FLC CITRATE ANION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 4.6；290 K；5 % polyethylene glycol 400, 16-22 % polyethylene glycol
300, 8-11 % glycerol, 70 mM Nacitrate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 290K, pH 4.60
|
Resolution 3.00 Å R-free 0.274 |
| 2HRT Asymmetric structure of trimeric AcrB from Escherichia coli Deposited 2006-07-20 | Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain D
1–1049（1049 aa）
Chain E
1–1049（1049 aa）
Chain F
1–1049（1049 aa）
|
Not recorded | FLC CITRATE ANION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 4.6；290 K；5 % polyethylene glycol 400, 16-22 % polyethylene glycol
300, 8-11 % glycerol, 70 mM Nacitrate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 290K, pH 4.60
|
Resolution 3.00 Å R-free 0.274 |
| 2I6W Crystal structure of the multidrug efflux transporter AcrB Deposited 2006-08-29 | Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
1–1049（1049 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；0.1 M HEPES pH 7.5,
0.1 M Sodium chloride, 0.1 M Lithium sulfate, 12% PEG 4000, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 3.10 Å R-free 0.341 |
| 2J8S Drug Export Pathway of Multidrug Exporter AcrB Revealed by DARPin Inhibitors Deposited 2006-10-27 | Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Not recorded | LMT DODECYL-BETA-D-MALTOSIDE × 10 LMU DODECYL-ALPHA-D-MALTOSIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.5；50MM ADA PH 6.5, 200MM (NH4)2SO4, 8% PEG4000
|
Resolution 2.54 Å R-free 0.271 |
| 2RDD X-ray crystal structure of AcrB in complex with a novel transmembrane helix. Deposited 2007-09-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric |
Chain A
1–1036（1036 aa）
|
Not recorded | AIC (2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；14-28% PEG1000 or PEG1500, 0.1M Tris, 0.1M LiSO4, 18mM n-Octyl-beta-D-Thioglucopyranoside
and 20% 1,2,3-heptanetriol as an additive, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 3.50 Å R-free 0.317 |
| 2W1B The structure of the efflux pump AcrB in complex with bile acid Deposited 2008-10-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
1–1049（1049 aa）
|
Not recorded | DXC (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；10% PEG 4000, 0.1 M HEPES PH 7.5, 0.1 M AMMONIUM SULPHATE AND 22% V/V GLYCEROL
|
Resolution 3.85 Å R-free 0.349 |
| 3AOA Structures of the multidrug exporter AcrB reveal a proximal multisite drug-binding pocket Deposited 2010-09-23 | Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.4；298 K；20mM sodium phosphate, 100mM NaCl, 14 %(w/v) PEG 4000, pH 6.4, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 3.35 Å R-free 0.326 |
| 3AOB Structures of the multidrug exporter AcrB reveal a proximal multisite drug-binding pocket Deposited 2010-09-23 | Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Not recorded | RFP RIFAMPICIN × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.4；298 K；20mM sodium phosphate, 100mM NaCl, 14 %(w/v) PEG 4000, pH 6.4, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 3.35 Å R-free 0.326 |
| 3AOC Structures of the multidrug exporter AcrB reveal a proximal multisite drug-binding pocket Deposited 2010-09-23 | Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Not recorded | ERY ERYTHROMYCIN A × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.4；298 K；220mM sodium phosphate, 100mM NaCl, 14 %(w/v)PEG 4000, pH 6.4, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 3.34 Å R-free 0.344 |
| 3AOD Structures of the multidrug exporter AcrB reveal a proximal multisite drug-binding pocket Deposited 2010-09-23 | Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Not recorded | MIY (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE × 1 RFP RIFAMPICIN × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.4；298 K；20mM sodium phosphate, 100mM NaCl, 14 %(w/v) PEG 4000, pH 6.4, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 3.30 Å R-free 0.318 |
| 3D9B Symmetric structure of E. coli AcrB Deposited 2008-05-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
1–1049（1049 aa）
|
Not recorded | NI NICKEL (II) ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.6；293 K；0.1M MES, 31% PEG 400, pH 6.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 3.42 Å R-free 0.355 |
| 3NOC Designed ankyrin repeat protein (DARPin) binders to AcrB: Plasticity of the Interface Deposited 2010-06-25 | Different mutation/modification Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；PEG4000, (NH4)2SO4, ADA, pH 6.5, vapor diffusion, sitting drop, temperature 293K
|
Resolution 2.70 Å R-free 0.268 |
| 3NOG Designed ankyrin repeat protein (DARPin) Binders to AcrB: Plasticity of the Interface Deposited 2010-06-25 | Different mutation/modification Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；PEG4000, (NH4)2SO4, ADA, pH 6.5, vapor diffusion, sitting drop, temperature 293K
|
Resolution 3.34 Å R-free 0.307 |
| 3W9H Structural basis for the inhibition of bacterial multidrug exporters Deposited 2013-04-04 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
1–1033（1033 aa）
Fragment：UNP residues 1-1033
Chain B
1–1033（1033 aa）
Fragment：UNP residues 1-1033
Chain C
1–1033（1033 aa）
Fragment：UNP residues 1-1033
|
Not recorded | P9D [{2-[({[(3R)-1-{8-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]-4-oxo-3-[(E)-2-(1H-tetrazol-5-yl)ethenyl]-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidin-3-yl]oxy}carbonyl)amino]ethyl}(dimethyl)ammonio]acetate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.4；298 K；20mM sodium phosphate, 100mM NaCl, 14% PEG 4000, 32ug/ml ABI-PP, pH 6.4, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K
|
Resolution 3.05 Å R-free 0.317 |
| 4C48 Crystal structure of AcrB-AcrZ complex Deposited 2013-09-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 9 PDB declaration: nonameric |
Chain A
1–1047（1047 aa）
Fragment：RESIDUES 1-1047
|
Not recorded | LMT DODECYL-BETA-D-MALTOSIDE × 27 NI NICKEL (II) ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；CRYSTALLISATION SOLUTION 100 MM HEPES, PH 7.5, 10 MM MGCL2 AND 12% (W/V) PEG 3350. SAMPLE BUFFER 10 MM HEPES PH: 7.5, 50 MM SODIUM CHLORIDE, 0.03% DDM N-DODECYL BETA-D-MALTOPYRANOSIDE
|
Resolution 3.30 Å R-free 0.322 |
| 4CDI Crystal structure of AcrB-AcrZ complex Deposited 2013-10-31 | Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric |
Chain A
1–1049（1049 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；THE ACRBZ COMPLEX AT 10 MG ML-1 USING SAMPLE BUFFER. 9 MM N-OCTYL-BETA-D-THIOGLUCOPYRANOSIDE (90 MM) WAS MIXED WITH ACRBZ COMPLEX BEFORE THE CRYSTALLISATION TRIALS. THE ACRBZ CRYSTALS WERE GROWN AT 20 C USING THE HANGING-DROPLET VAPOUR DIFFUSION METHOD BY MIXING 4 MICROLITERS OF ACRBZ COMPLEX WITH 2 MICROLITERS OF RESERVOIR SOLUTION (100 MM TRICINE PH: 7.4, 50 MM LITHIUM SULPHATE, 5 MM CADMIUM CHLORIDE HYDRATE, 7 % PEG 3000, 10% GLYCEROL).
|
Resolution 3.70 Å R-free 0.361 |
| 4DX5 Transport of drugs by the multidrug transporter AcrB involves an access and a deep binding pocket that are separated by a switch-loop Deposited 2012-02-27 | Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Not recorded | GOL GLYCEROL × 15 LMT DODECYL-BETA-D-MALTOSIDE × 8 OCT N-OCTANE × 7 D10 DECANE × 6 HEX HEXANE × 5 D12 DODECANE × 4 MIY (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE × 1 C14 TETRADECANE × 1 LMU DODECYL-ALPHA-D-MALTOSIDE × 1 DD9 nonane × 1 SO4 SULFATE ION × 1 UND UNDECANE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；290 K；0.05M ADA, pH 6.5, 0.2M ammonium sulfate, 7% PEG 4000, 6% glycerol, 0.002M minocycline, VAPOR DIFFUSION, HANGING DROP, temperature 290K
|
Resolution 1.90 Å R-free 0.231 |
| 4DX6 Transport of drugs by the multidrug transporter AcrB involves an access and a deep binding pocket that are separated by a switch-loop Deposited 2012-02-27 | Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Not recorded | LMT DODECYL-BETA-D-MALTOSIDE × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；290 K；0.05M ADA, pH 6.5
0.2M ammonium sulfate
9% PEG 4000
6% glycerol , VAPOR DIFFUSION, HANGING DROP, temperature 290K
|
Resolution 2.90 Å R-free 0.270 |
| 4DX7 Transport of drugs by the multidrug transporter AcrB involves an access and a deep binding pocket that are separated by a switch-loop Deposited 2012-02-27 | Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Not recorded | LMT DODECYL-BETA-D-MALTOSIDE × 7 DM2 DOXORUBICIN × 3 D12 DODECANE × 4 D10 DECANE × 4 LMU DODECYL-ALPHA-D-MALTOSIDE × 1 GOL GLYCEROL × 3 HEX HEXANE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；290 K；0.025M ADA, pH 6.5, 0.2M ammonium sulfate, 7.66% PEG 4000, 8.8% glycerol, 0.004M doxorubicin, VAPOR DIFFUSION, HANGING DROP, temperature 290K
|
Resolution 2.25 Å R-free 0.227 |
| 4K7Q Crystal Structure of AcrB Complexed with Linezolid at 3.5 Resolution Deposited 2013-04-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
1–1049（1049 aa）
|
Not recorded | ZLD N-{[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.2；298 K；0.1M NaCl
8% PEG 4k
0.1M NaPhosphate pH 6.2, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 3.50 Å R-free 0.304 |
| 4U8V Coupling of remote alternating-access transport mechanisms for protons and substrates in the multidrug efflux pump AcrB Deposited 2014-08-04 | Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: Pentameric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Mutation：D407N Mutation：D407N Mutation：D407N | LMT DODECYL-BETA-D-MALTOSIDE × 5 MIY (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；290 K；0.05M ADA, pH 6.5, 0.2 M (NH4)2SO4, 8% PEG4000, 10% Glycerol
|
Resolution 2.30 Å R-free 0.238 |
| 4U8Y Coupling of remote alternating-access transport mechanisms for protons and substrates in the multidrug efflux pump AcrB Deposited 2014-08-05 | Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Not recorded | LMT DODECYL-BETA-D-MALTOSIDE × 4 MIY (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；290 K；0.05M ADA, pH 6.5, 0.2 M (NH4)2SO4, 7% PEG4000, 8% Glycerol
|
Resolution 2.10 Å R-free 0.236 |
| 4U95 Coupling of remote alternating-access transport mechanisms for protons and substrates in the multidrug efflux pump AcrB Deposited 2014-08-05 | Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Mutation：K940A Mutation：K940A Mutation：K940A | LMT DODECYL-BETA-D-MALTOSIDE × 3 MIY (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；290 K；0.05M ADA, pH 6.5, 0.2 M (NH4)2SO4, 8% PEG4000, 6% Glycerol
|
Resolution 2.00 Å R-free 0.237 |
| 4U96 Coupling of remote alternating-access transport mechanisms for protons and substrates in the multidrug efflux pump AcrB Deposited 2014-08-05 | Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Mutation：R971A Mutation：R971A Mutation：R971A | LMT DODECYL-BETA-D-MALTOSIDE × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；290 K；0.05M ADA, pH 6.5, 0.2 M (NH4)2SO4, 9% PEG4000, 7.3% Glycerol
|
Resolution 2.20 Å R-free 0.246 |
| 4ZIT Crystal structure of AcrB in P21 space group Deposited 2015-04-28 | Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Not recorded | LMT DODECYL-BETA-D-MALTOSIDE × 3 NI NICKEL (II) ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；288 K；0.1 M MES pH 6.5, 0.2 M MgAc, 10% PEG 3350
|
Resolution 3.30 Å R-free 0.339 |
| 4ZIT Crystal structure of AcrB in P21 space group Deposited 2015-04-28 | Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain D
1–1049（1049 aa）
Chain E
1–1049（1049 aa）
Chain F
1–1049（1049 aa）
|
Not recorded | LMT DODECYL-BETA-D-MALTOSIDE × 3 NI NICKEL (II) ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；288 K；0.1 M MES pH 6.5, 0.2 M MgAc, 10% PEG 3350
|
Resolution 3.30 Å R-free 0.339 |
| 4ZIV Crystal structure of AcrB triple mutant in P21 space group Deposited 2015-04-28 | Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Not recorded | LMT DODECYL-BETA-D-MALTOSIDE × 3 NI NICKEL (II) ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；288 K；0.1 M MES pH 6.5, 0.2 M MgAc, 10% PEG 3350
|
Resolution 3.16 Å R-free 0.335 |
| 4ZIV Crystal structure of AcrB triple mutant in P21 space group Deposited 2015-04-28 | Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain D
1–1049（1049 aa）
Chain E
1–1049（1049 aa）
Chain F
1–1049（1049 aa）
|
Not recorded | LMT DODECYL-BETA-D-MALTOSIDE × 3 NI NICKEL (II) ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；288 K；0.1 M MES pH 6.5, 0.2 M MgAc, 10% PEG 3350
|
Resolution 3.16 Å R-free 0.335 |
| 4ZIW Crystal structure of AcrB deletion mutant in P21 space group Deposited 2015-04-28 | Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Not recorded | LMT DODECYL-BETA-D-MALTOSIDE × 3 NI NICKEL (II) ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；288 K；0.1 M MES pH 6.5, 0.2 M MgAc, 10% PEG 3350
|
Resolution 3.40 Å R-free 0.349 |
| 4ZIW Crystal structure of AcrB deletion mutant in P21 space group Deposited 2015-04-28 | Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain D
1–1049（1049 aa）
Chain E
1–1049（1049 aa）
Chain F
1–1049（1049 aa）
|
Not recorded | LMT DODECYL-BETA-D-MALTOSIDE × 3 NI NICKEL (II) ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；288 K；0.1 M MES pH 6.5, 0.2 M MgAc, 10% PEG 3350
|
Resolution 3.40 Å R-free 0.349 |
| 4ZJL Crystal structure of AcrB in complex with antibiotic in P21 space group Deposited 2015-04-29 | Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Not recorded | ERY ERYTHROMYCIN A × 1 LMT DODECYL-BETA-D-MALTOSIDE × 4 NI NICKEL (II) ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；288 K；0.1 M MES pH 6.5, 0.2 M MgAc, 10% PEG 3350
|
Resolution 3.47 Å R-free 0.321 |
| 4ZJL Crystal structure of AcrB in complex with antibiotic in P21 space group Deposited 2015-04-29 | Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain D
1–1049（1049 aa）
Chain E
1–1049（1049 aa）
Chain F
1–1049（1049 aa）
|
Not recorded | ERY ERYTHROMYCIN A × 1 LMT DODECYL-BETA-D-MALTOSIDE × 4 NI NICKEL (II) ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；288 K；0.1 M MES pH 6.5, 0.2 M MgAc, 10% PEG 3350
|
Resolution 3.47 Å R-free 0.321 |
| 4ZJO Crystal structure of AcrB triple mutant in complex with antibiotic in P21 space group Deposited 2015-04-29 | Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Not recorded | ERY ERYTHROMYCIN A × 1 LMT DODECYL-BETA-D-MALTOSIDE × 4 NI NICKEL (II) ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；288 K；0.1 M MES pH 6.5, 0.2 M MgAc, 10% PEG 3350
|
Resolution 3.60 Å R-free 0.307 |
| 4ZJO Crystal structure of AcrB triple mutant in complex with antibiotic in P21 space group Deposited 2015-04-29 | Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain D
1–1049（1049 aa）
Chain E
1–1049（1049 aa）
Chain F
1–1049（1049 aa）
|
Not recorded | ERY ERYTHROMYCIN A × 1 LMT DODECYL-BETA-D-MALTOSIDE × 4 NI NICKEL (II) ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；288 K；0.1 M MES pH 6.5, 0.2 M MgAc, 10% PEG 3350
|
Resolution 3.60 Å R-free 0.307 |
| 4ZJQ Crystal structure of AcrB deletion mutant in complex with antibiotic in P21 space group Deposited 2015-04-29 | Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Not recorded | ERY ERYTHROMYCIN A × 1 LMT DODECYL-BETA-D-MALTOSIDE × 4 NI NICKEL (II) ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；288 K；0.1 M MES pH 6.5, 0.2 M MgAc, 10% PEG 3350
|
Resolution 3.59 Å R-free 0.319 |
| 4ZJQ Crystal structure of AcrB deletion mutant in complex with antibiotic in P21 space group Deposited 2015-04-29 | Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain D
1–1049（1049 aa）
Chain E
1–1049（1049 aa）
Chain F
1–1049（1049 aa）
|
Not recorded | ERY ERYTHROMYCIN A × 1 LMT DODECYL-BETA-D-MALTOSIDE × 4 NI NICKEL (II) ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；288 K；0.1 M MES pH 6.5, 0.2 M MgAc, 10% PEG 3350
|
Resolution 3.59 Å R-free 0.319 |
| 4ZLJ Crystal structure of transporter AcrB Deposited 2015-05-01 | Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
1–1049（1049 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；288 K；0.1 M ADA buffer at pH 7.4, 0.1 M Li2SO4, 10% PEG 3350
|
Resolution 3.26 Å R-free 0.318 |
| 4ZLL Crystal structure of transporter AcrB triple mutant Deposited 2015-05-01 | Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
1–1049（1049 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；288 K；0.1 M ADA buffer at pH 7.4, 0.1 M Li2SO4, 10% PEG 3350
|
Resolution 3.36 Å R-free 0.312 |
| 4ZLN Crystal structure of transporter AcrB deletion mutant Deposited 2015-05-01 | Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
1–1049（1049 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；288 K；0.1 M ADA buffer at pH 7.4, 0.1 M Li2SO4, 10% PEG 3350
|
Resolution 3.56 Å R-free 0.303 |
| 5EN5 Apo structure of bacterial efflux pump. Deposited 2015-11-09 | Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric |
Chain A
39–329（291 aa）
Chain A
561–869（309 aa）
Chain B
39–329（291 aa）
Chain B
561–869（309 aa）
Chain C
39–329（291 aa）
Chain C
561–869（309 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；0.1 M MES pH6.5, 0.21 M NaCl, 11.5 % PEG 4000
|
Resolution 2.30 Å R-free 0.249 |
| 5ENO MBX2319 bound structure of bacterial efflux pump. Deposited 2015-11-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric |
Chain A
39–329（291 aa）
Chain A
561–869（309 aa）
Chain B
39–329（291 aa）
Chain B
561–869（309 aa）
Chain C
39–329（291 aa）
Chain C
561–869（309 aa）
|
Not recorded | 5QG 3,3-dimethyl-8-morpholin-4-yl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；0.1 M MES pH6.5, 0.21 M NaCl, 11.5% PEG4000
|
Resolution 2.20 Å R-free 0.247 |
| 5ENP MBX2931 bound structure of bacterial efflux pump. Deposited 2015-11-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric |
Chain A
39–329（291 aa）
Chain A
561–869（309 aa）
Chain B
39–329（291 aa）
Chain B
561–869（309 aa）
Chain C
39–329（291 aa）
Chain C
561–869（309 aa）
|
Not recorded | 5QF 6-[2-(3,4-dimethoxyphenyl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；0.1 M MES pH6.5, 0.21 M NaCl, 11.5% PEG4000
|
Resolution 1.90 Å R-free 0.222 |
| 5ENQ MBX3132 bound structure of bacterial efflux pump. Deposited 2015-11-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric |
Chain A
39–329（291 aa）
Chain A
561–869（309 aa）
Chain B
39–329（291 aa）
Chain B
561–869（309 aa）
Chain C
39–329（291 aa）
Chain C
561–869（309 aa）
|
Not recorded | 5QE ~{N}-[4-[2-[[5-cyano-8-[(2~{S},6~{R})-2,6-dimethylmorpholin-4-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]ethanamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；0.1 MES pH6.5, 0.21 M NaCl, 11.5% PEG4000
|
Resolution 1.80 Å R-free 0.223 |
| 5ENR MBX3135 bound structure of bacterial efflux pump. Deposited 2015-11-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric |
Chain A
39–329（291 aa）
Chain A
561–869（309 aa）
Chain B
39–329（291 aa）
Chain B
561–869（309 aa）
Chain C
39–329（291 aa）
Chain C
561–869（309 aa）
|
Not recorded | MBX ~{N}-[4-[2-[[5-cyano-8-[(2~{S},6~{S})-2,6-dimethylmorpholin-4-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]prop-2-enamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；0.1 M MES pH6.5, 0.21 M NaCl, 11.5% PEG4000
|
Resolution 2.30 Å R-free 0.241 |
| 5ENS Rhodamine bound structure of bacterial efflux pump. Deposited 2015-11-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric |
Chain A
39–329（291 aa）
Chain A
561–869（309 aa）
Chain B
39–329（291 aa）
Chain B
561–869（309 aa）
Chain C
39–329（291 aa）
Chain C
561–869（309 aa）
|
Not recorded | RHQ RHODAMINE 6G × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；0.1 MES pH6.5, 0.21M NaCl, 11.5% PEG4000
|
Resolution 2.80 Å R-free 0.258 |
| 5ENT Minocycline bound structure of bacterial efflux pump. Deposited 2015-11-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric |
Chain A
39–329（291 aa）
Chain A
561–869（309 aa）
Chain B
39–329（291 aa）
Chain B
561–869（309 aa）
Chain C
39–329（291 aa）
Chain C
561–869（309 aa）
|
Not recorded | MIY (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；0.1 M MES pH6.5, 0.21 M NaCl, 11.5% PEG4000
|
Resolution 2.50 Å R-free 0.248 |
| 5JMN Fusidic acid bound AcrB Deposited 2016-04-29 | Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Not recorded | FUA FUSIDIC ACID × 3 LMT DODECYL-BETA-D-MALTOSIDE × 10 SO4 SULFATE ION × 2 GOL GLYCEROL × 8 ETE 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL × 3 HEX HEXANE × 2 PTY PHOSPHATIDYLETHANOLAMINE × 4 D12 DODECANE × 4 OCT N-OCTANE × 2 P3G 3,6,9,12,15-PENTAOXAHEPTADECANE × 1 D10 DECANE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.9；290 K；0.05M ADA, pH 6.9, 0.15-0.25M AMMONIUM SULFATE, 5% GLYCEROL, 5-10% PEG4000, 0.004m FUSIDIC ACID
|
Resolution 2.50 Å R-free 0.261 |
| 5NC5 Crystal structure of AcrBZ in complex with antibiotic puromycin Deposited 2017-03-03 | Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Not recorded | LMT DODECYL-BETA-D-MALTOSIDE × 3 D12 DODECANE × 8 D10 DECANE × 26 DD9 nonane × 14 PUY PUROMYCIN × 1 HEX HEXANE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；80 mM Bis-Tris, pH 6.0, 50 mM sodium citrate, 120 mM KCl, 10% PEG 4000, 0.5% N,N-dimethyldodecylamine N-oxide
|
Resolution 3.20 Å R-free 0.245 |
| 5NG5 multi-drug efflux; membrane transport; RND superfamily; Drug resistance Deposited 2017-03-16 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 15 PDB declaration: pentadecameric |
Chain J
1–1049（1049 aa）
Chain K
1–1049（1049 aa）
Chain L
1–1049（1049 aa）
|
Not recorded | 5QF 6-[2-(3,4-dimethoxyphenyl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile × 3 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 8
cryo-EM vitrification conditions
Cryogen ETHANE；a 3ul aliquot at a concentration of 2 mg per ml was applied onto glow-discharged holey carbon grid (Quantifoil Au R1.21.3, 300 mesh)
|
Resolution 6.50 Å |
| 5O66 Asymmetric AcrABZ-TolC Deposited 2017-06-05 | Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 15 PDB declaration: pentadecameric |
Chain J
1–1049（1049 aa）
Chain K
1–1049（1049 aa）
Chain L
1–1049（1049 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.6
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 5.90 Å |
| 5V5S multi-drug efflux; membrane transport; RND superfamily; Drug resistance Deposited 2017-03-15 | Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric |
Chain J
1–1049（1049 aa）
Chain K
1–1049（1049 aa）
Chain L
1–1049（1049 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 8
cryo-EM vitrification conditions
Cryogen ETHANE；a 3ul aliquot at a concentration of 2 mg per ml was applied onto glow-discharged holey carbon grid (Quantifoil Au R1.21.3, 300 mesh)
|
Resolution 6.50 Å |
| 5YIL Hoisting-loop in bacterial multidrug exporter AcrB is a highly flexible hinge that enables the large motion of the subdomains Deposited 2017-10-05 | Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Mutation：868, 871-872 deletion Mutation：868, 871-872 deletion Mutation：868, 871-872 deletion | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.4；298 K；20MM SODIUM PHOSPHATE, 100MM NACL, 14%(W/V) PEG 4000
|
Resolution 3.00 Å R-free 0.273 |
| 6BAJ Cryo-EM structure of lipid bilayer in the native cell membrane nanoparticles of AcrB Deposited 2017-10-13 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Not recorded | PTY PHOSPHATIDYLETHANOLAMINE × 31 D12 DODECANE × 11 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.8
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.20 Å |
| 6CSX Single particles Cryo-EM structure of AcrB D407A associated with lipid bilayer at 3.0 Angstrom Deposited 2018-03-21 | Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Mutation：D407A Mutation：D407A Mutation：D407A | PTY PHOSPHATIDYLETHANOLAMINE × 18 D12 DODECANE × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.8
cryo-EM vitrification conditions
Cryogen ETHANE-PROPANE
|
Resolution 3.00 Å |
| 6Q4N Fusidic acid bound AcrB_V340A Deposited 2018-12-06 | Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Mutation：V340A Mutation：V340A Mutation：V340A | P6G HEXAETHYLENE GLYCOL × 1 FUA FUSIDIC ACID × 3 LMT DODECYL-BETA-D-MALTOSIDE × 8 GOL GLYCEROL × 6 PTY PHOSPHATIDYLETHANOLAMINE × 4 OCT N-OCTANE × 5 D10 DECANE × 5 DDQ DECYLAMINE-N,N-DIMETHYL-N-OXIDE × 2 HEX HEXANE × 2 SO4 SULFATE ION × 2 DDR (2S)-3-hydroxypropane-1,2-diyl didecanoate × 1 D12 DODECANE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.6；291 K；0.05M ADA, pH 6.6, 0.15-0.25M AMMONIUM SULFATE, 5% GLYCEROL, 8-9% PEG4000
|
Resolution 2.80 Å R-free 0.265 |
| 6Q4O Fusidic acid bound AcrB_I27A Deposited 2018-12-06 | Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Not recorded | LMT DODECYL-BETA-D-MALTOSIDE × 8 D10 DECANE × 8 DDQ DECYLAMINE-N,N-DIMETHYL-N-OXIDE × 9 GOL GLYCEROL × 11 HEX HEXANE × 9 OCT N-OCTANE × 4 FUA FUSIDIC ACID × 1 D12 DODECANE × 4 DDR (2S)-3-hydroxypropane-1,2-diyl didecanoate × 1 PTY PHOSPHATIDYLETHANOLAMINE × 4 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.6；291 K；0.05M ADA, PH 6.6, 0.15-0.25M AMMONIUM SULFATE, 5% GLYCEROL, 8-9% PEG4000
|
Resolution 2.80 Å R-free 0.256 |
| 6Q4P Fusidic acid bound AcrB_N298A Deposited 2018-12-06 | Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Mutation：N298A Mutation：N298A Mutation：N298A | LMT DODECYL-BETA-D-MALTOSIDE × 10 D12 DODECANE × 3 DDQ DECYLAMINE-N,N-DIMETHYL-N-OXIDE × 6 GOL GLYCEROL × 6 HEX HEXANE × 2 FUA FUSIDIC ACID × 1 PTY PHOSPHATIDYLETHANOLAMINE × 2 DDR (2S)-3-hydroxypropane-1,2-diyl didecanoate × 1 OCT N-OCTANE × 3 CL CHLORIDE ION × 5 SO4 SULFATE ION × 2 D10 DECANE × 1 C14 TETRADECANE × 1 ETE 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.6；291 K；0.05M ADA, pH 6.6, 0.15-0.25M AMMONIUM SULFATE, 5% GLYCEROL, 8-9% PEG4000
|
Resolution 2.80 Å R-free 0.247 |
| 6SGR Cryo-EM structure of Escherichia coli AcrBZ and DARPin in Saposin A-nanodisc with cardiolipin Deposited 2019-08-05 | Different oligomeric state Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.17 Å |
| 6SGS Cryo-EM structure of Escherichia coli AcrBZ and DARPin in Saposin A-nanodisc Deposited 2019-08-05 | Different oligomeric state Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.20 Å |
| 6SGT Cryo-EM structure of Escherichia coli AcrB and DARPin in Saposin A-nanodisc with cardiolipin Deposited 2019-08-05 | Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.46 Å |
| 6ZO5 Fusidic acid binding to the TM1/TM2 groove of AcrB-G619P_G621P Deposited 2020-07-07 | Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Not recorded | XPE 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL × 1 LMT DODECYL-BETA-D-MALTOSIDE × 8 D12 DODECANE × 4 D10 DECANE × 5 GOL GLYCEROL × 8 HEX HEXANE × 7 EDO 1,2-ETHANEDIOL × 7 DDR (2S)-3-hydroxypropane-1,2-diyl didecanoate × 1 FUA FUSIDIC ACID × 1 C14 TETRADECANE × 3 SO4 SULFATE ION × 3 LPX (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate × 2 PGE TRIETHYLENE GLYCOL × 2 PTY PHOSPHATIDYLETHANOLAMINE × 1 OCT N-OCTANE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.6；291 K；0.05M ADA, PH 6.6, 0.15-0.25M AMMONIUM SULFATE, 5% GLYCEROL, 8-9% PEG4000, 0.001M ERYTHROMYCIN, 0.001M FUSIDIC ACID, 0.001M LINEZOLID, 0.001M OXACILLIN
|
Resolution 2.50 Å R-free 0.252 |
| 6ZO6 Minocycline binding to the deep binding pocket of AcrB-G619P Deposited 2020-07-07 | Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Not recorded | LMT DODECYL-BETA-D-MALTOSIDE × 6 OCT N-OCTANE × 3 DDQ DECYLAMINE-N,N-DIMETHYL-N-OXIDE × 5 GOL GLYCEROL × 14 D12 DODECANE × 3 HEX HEXANE × 6 EDO 1,2-ETHANEDIOL × 24 PGE TRIETHYLENE GLYCOL × 2 MIY (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE × 1 DDR (2S)-3-hydroxypropane-1,2-diyl didecanoate × 1 D10 DECANE × 5 CL CHLORIDE ION × 3 MYS PENTADECANE × 2 PG4 TETRAETHYLENE GLYCOL × 1 8K6 Octadecane × 1 R16 HEXADECANE × 1 SO4 SULFATE ION × 1 C14 TETRADECANE × 1 PTY PHOSPHATIDYLETHANOLAMINE × 1 LPX (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate × 1 1PE PENTAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.6；291 K；0.05M ADA, PH 6.6, 0.15-0.25M AMMONIUM SULFATE, 5% GLYCEROL, 8-9% PEG4000, 0.0012M MINOCYCLINE
|
Resolution 2.35 Å R-free 0.257 |
| 6ZO7 3-Formylrifamycin SV binding to the access pocket of AcrB-G619P L and T protomer Deposited 2020-07-07 | Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Not recorded | LMT DODECYL-BETA-D-MALTOSIDE × 10 D10 DECANE × 1 EDO 1,2-ETHANEDIOL × 8 3YI (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-8-formyl-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptam ethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate × 2 GOL GLYCEROL × 3 HEX HEXANE × 1 SO4 SULFATE ION × 1 PTY PHOSPHATIDYLETHANOLAMINE × 2 D12 DODECANE × 2 R16 HEXADECANE × 1 CL CHLORIDE ION × 1 DDQ DECYLAMINE-N,N-DIMETHYL-N-OXIDE × 1 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.6；291 K；0.05M ADA, PH 6.6, 0.15-0.25M AMMONIUM SULFATE, 5% GLYCEROL, 8-9% PEG4000, 0.003M RIFAMPICIN QUINONE, 0.0012M MINOCYCLINE
|
Resolution 2.85 Å R-free 0.271 |
| 6ZO8 Minocycline binding to the deep binding pocket of AcrB-G621P Deposited 2020-07-07 | Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Not recorded | LMT DODECYL-BETA-D-MALTOSIDE × 9 GOL GLYCEROL × 16 D10 DECANE × 7 C14 TETRADECANE × 2 EDO 1,2-ETHANEDIOL × 12 MIY (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE × 1 LMU DODECYL-ALPHA-D-MALTOSIDE × 1 PTY PHOSPHATIDYLETHANOLAMINE × 2 DDR (2S)-3-hydroxypropane-1,2-diyl didecanoate × 1 OCT N-OCTANE × 3 D12 DODECANE × 3 HEX HEXANE × 3 SO4 SULFATE ION × 3 DDQ DECYLAMINE-N,N-DIMETHYL-N-OXIDE × 1 NA SODIUM ION × 1 CL CHLORIDE ION × 1 LPX (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.6；291 K；0.05M ADA, PH 6.6, 0.15-0.25M AMMONIUM SULFATE, 5% GLYCEROL, 8-9% PEG4000, 0.002M MINOCYCLINE
|
Resolution 2.50 Å R-free 0.249 |
| 6ZO9 Binding of two rifabutins to the access pocket of AcrB-G621P T protomer Deposited 2020-07-07 | Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Not recorded | D12 DODECANE × 3 LMT DODECYL-BETA-D-MALTOSIDE × 6 PTY PHOSPHATIDYLETHANOLAMINE × 3 GOL GLYCEROL × 3 EDO 1,2-ETHANEDIOL × 4 DDR (2S)-3-hydroxypropane-1,2-diyl didecanoate × 1 HEX HEXANE × 2 OCT N-OCTANE × 3 SO4 SULFATE ION × 2 RBT RIFABUTIN × 2 C14 TETRADECANE × 1 D10 DECANE × 2 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.6；291 K；0.05M ADA, PH 6.6, 0.15-0.25M AMMONIUM SULFATE, 5% GLYCEROL, 8-9% PEG4000, 0.003M RIFABUTIN
|
Resolution 2.70 Å R-free 0.274 |
| 6ZOA Partially induced AcrB T protomer and DDM binding to the TM8/PC2 pathway of AcrB L2 protomer Deposited 2020-07-07 | Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Not recorded | LMT DODECYL-BETA-D-MALTOSIDE × 6 C14 TETRADECANE × 4 DDQ DECYLAMINE-N,N-DIMETHYL-N-OXIDE × 7 HEX HEXANE × 4 D10 DECANE × 1 CL CHLORIDE ION × 1 LNK PENTANE × 1 GOL GLYCEROL × 3 OCT N-OCTANE × 2 EDO 1,2-ETHANEDIOL × 1 PTY PHOSPHATIDYLETHANOLAMINE × 2 D12 DODECANE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.6；291 K；0.05M ADA, PH 6.6, 0.15-0.25M AMMONIUM SULFATE, 5% GLYCEROL, 8-9% PEG4000, 0.001M DICLOXACILLIN, 0.001M OXACILLIN, 0.001M PIPERACILLIN
|
Resolution 3.05 Å R-free 0.272 |
| 6ZOB 3-Formylrifamycin SV binding to the access pocket of AcrB L protomer Deposited 2020-07-07 | Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Not recorded | LMT DODECYL-BETA-D-MALTOSIDE × 6 HEX HEXANE × 1 GOL GLYCEROL × 4 ETE 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL × 1 3YI (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-8-formyl-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptam ethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate × 1 EDO 1,2-ETHANEDIOL × 1 DDR (2S)-3-hydroxypropane-1,2-diyl didecanoate × 1 DDQ DECYLAMINE-N,N-DIMETHYL-N-OXIDE × 1 OCT N-OCTANE × 1 D10 DECANE × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.6；291 K；0.05M ADA, PH 6.9, 0.15-0.25M AMMONIUM SULFATE, 5% GLYCEROL, 8-9% PEG4000, 0.003M rifampicin
|
Resolution 2.80 Å R-free 0.262 |
| 6ZOC Erythromycin binding to the access pocket of AcrB-G616P L protomer and 3-formylrifamycin SV binding to the access pocket of AcrB-G616P T protomer Deposited 2020-07-07 | Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Not recorded | C14 TETRADECANE × 2 LMT DODECYL-BETA-D-MALTOSIDE × 5 ERY ERYTHROMYCIN A × 1 EDO 1,2-ETHANEDIOL × 12 GOL GLYCEROL × 5 D12 DODECANE × 2 OCT N-OCTANE × 2 HEX HEXANE × 2 3YI (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-8-formyl-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptam ethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate × 1 DDQ DECYLAMINE-N,N-DIMETHYL-N-OXIDE × 1 SO4 SULFATE ION × 2 PG4 TETRAETHYLENE GLYCOL × 1 PTY PHOSPHATIDYLETHANOLAMINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.6；291 K；0.05M ADA, PH 6.6, 0.15-0.25M AMMONIUM SULFATE, 5% GLYCEROL, 8-9% PEG4000, 0.003M RIFAMPICIN, 0.001M ERYTHROMYCIN, 0.001M FUSIDIC ACID, 0.001M LINEZOLID, 0.001M OXACILLIN
|
Resolution 2.89 Å R-free 0.238 |
| 6ZOD Fusidic acid binding to the allosteric deep transmembrane domain binding pocket, TM7/TM8 groove, and TM1/TM2 groove of the fully induced AcrB T protomer Deposited 2020-07-07 | Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Not recorded | LMT DODECYL-BETA-D-MALTOSIDE × 7 EDO 1,2-ETHANEDIOL × 15 GOL GLYCEROL × 2 D10 DECANE × 2 FUA FUSIDIC ACID × 4 PGE TRIETHYLENE GLYCOL × 1 8K6 Octadecane × 1 SO4 SULFATE ION × 5 PTY PHOSPHATIDYLETHANOLAMINE × 2 D12 DODECANE × 1 HEX HEXANE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.6；291 K；0.05M ADA, PH 6.9, 0.15-0.25M AMMONIUM
REMARK 280 SULFATE, 5% GLYCEROL, 5-10% PEG4000, 0.001 M FUSIDIC ACID, 0.001M OXACILLIN, 0.001M ERYTHROMYCIN, 0.001M LINEZOLID
|
Resolution 2.85 Å R-free 0.247 |
| 6ZOE AcrB-F563A symmetric T protomer Deposited 2020-07-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric |
Chain A
1–1049（1049 aa）
|
Not recorded | D10 DECANE × 3 EDO 1,2-ETHANEDIOL × 6 LMT DODECYL-BETA-D-MALTOSIDE × 3 PGE TRIETHYLENE GLYCOL × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；291 K；0.1 M sodium acetate, pH 5.5 and 12% PEG400
|
Resolution 2.85 Å R-free 0.265 |
| 6ZOF Fusidic acid binding to the TM7/TM8 groove of AcrB-F380A T protomer Deposited 2020-07-07 | Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Not recorded | LMT DODECYL-BETA-D-MALTOSIDE × 5 SO4 SULFATE ION × 2 D10 DECANE × 1 DDQ DECYLAMINE-N,N-DIMETHYL-N-OXIDE × 1 GOL GLYCEROL × 1 FUA FUSIDIC ACID × 1 R16 HEXADECANE × 1 PTY PHOSPHATIDYLETHANOLAMINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.6；291 K；0.05M ADA, PH 6.9, 0.15-0.25M AMMONIUM SULFATE, 5% GLYCEROL, 8-9% PEG4000
|
Resolution 3.30 Å R-free 0.258 |
| 6ZOG Minocycline binding to the deep binding pocket of AcrB-I38F_I671T Deposited 2020-07-07 | Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Not recorded | LMT DODECYL-BETA-D-MALTOSIDE × 6 D10 DECANE × 2 EDO 1,2-ETHANEDIOL × 6 DDR (2S)-3-hydroxypropane-1,2-diyl didecanoate × 1 MYS PENTADECANE × 1 8K6 Octadecane × 1 MIY (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE × 1 GOL GLYCEROL × 5 OCT N-OCTANE × 1 SO4 SULFATE ION × 3 D12 DODECANE × 1 PTY PHOSPHATIDYLETHANOLAMINE × 1 C14 TETRADECANE × 1 DDQ DECYLAMINE-N,N-DIMETHYL-N-OXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.6；291 K；0.05M ADA, PH 6.6, 0.15-0.25M AMMONIUM SULFATE, 5% GLYCEROL, 8-9% PEG4000, 0.002M MINOCYCLINE
|
Resolution 2.75 Å R-free 0.268 |
| 6ZOH 3-Formylrifamycin SV binding to the access pocket of AcrB-G619P_G621P L and T protomers Deposited 2020-07-07 | Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Not recorded | LMT DODECYL-BETA-D-MALTOSIDE × 7 EDO 1,2-ETHANEDIOL × 10 GOL GLYCEROL × 4 D12 DODECANE × 4 DDQ DECYLAMINE-N,N-DIMETHYL-N-OXIDE × 2 3YI (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-8-formyl-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptam ethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate × 2 DDR (2S)-3-hydroxypropane-1,2-diyl didecanoate × 1 PTY PHOSPHATIDYLETHANOLAMINE × 1 D10 DECANE × 1 LPX (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate × 1 HEX HEXANE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.6；291 K；0.05M ADA, PH 6.6, 0.15-0.25M AMMONIUM SULFATE, 5% GLYCEROL, 8-9% PEG4000, 0.003M RIFAMPICIN QUINONE
|
Resolution 2.80 Å R-free 0.245 |
| 7B8R Doxycycline bound structure of bacterial efflux pump. Deposited 2020-12-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric |
Chain A
39–329（291 aa）
Chain A
561–869（309 aa）
Chain B
39–329（291 aa）
Chain B
561–869（309 aa）
Chain C
39–329（291 aa）
Chain C
561–869（309 aa）
|
Not recorded | PEG DI(HYDROXYETHYL)ETHER × 5 DXT (4S,4AR,5S,5AR,6R,12AS)-4-(DIMETHYLAMINO)-3,5,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；0.1 M MES pH 6.5, 0.21 M NaCl, 11.5% PEG4000
|
Resolution 2.10 Å R-free 0.239 |
| 7B8S Fusidic acid bound structure of bacterial efflux pump. Deposited 2020-12-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric |
Chain A
39–329（291 aa）
Chain A
561–869（309 aa）
Chain B
39–329（291 aa）
Chain B
561–869（309 aa）
Chain C
39–329（291 aa）
Chain C
561–869（309 aa）
|
Not recorded | FUA FUSIDIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；0.1 M MES pH 6.5, 0.21 M NaCl, 11.5% PEG4000
|
Resolution 2.30 Å R-free 0.247 |
| 7B8T Levofloxacin bound structure of bacterial efflux pump. Deposited 2020-12-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric |
Chain A
39–329（291 aa）
Chain A
561–869（309 aa）
Chain B
39–329（291 aa）
Chain B
561–869（309 aa）
Chain C
39–329（291 aa）
Chain C
561–869（309 aa）
|
Not recorded | LFX (3S)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；0.1 M MES pH 6.5, 0.21 M NaCl, 11.5% PEG4000
|
Resolution 2.70 Å R-free 0.269 |
| 7OUK BDM88855 inhibitor bound to the transmembrane domain of AcrB Deposited 2021-06-12 | Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Not recorded | LMT DODECYL-BETA-D-MALTOSIDE × 8 1K8 3-chloranyl-2-piperazin-1-yl-quinoline × 2 EDO 1,2-ETHANEDIOL × 14 OCT N-OCTANE × 3 C14 TETRADECANE × 3 GOL GLYCEROL × 6 D10 DECANE × 1 DDR (2S)-3-hydroxypropane-1,2-diyl didecanoate × 1 DDQ DECYLAMINE-N,N-DIMETHYL-N-OXIDE × 1 SO4 SULFATE ION × 3 LPX (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.6；291 K；0.05M ADA, PH 6.6, 0.13-0.2M AMMONIUM SULFATE, 5% GLYCEROL, 8-9% PEG4000, 0.008M BDM88855
|
Resolution 2.60 Å R-free 0.263 |
| 7OUL BDM88832 inhibitor bound to the transmembrane domain of AcrB-R971A Deposited 2021-06-12 | Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Not recorded | LMT DODECYL-BETA-D-MALTOSIDE × 6 EDO 1,2-ETHANEDIOL × 11 1KE 1-(3-chloranyl-5-iodanyl-pyridin-2-yl)piperazine × 1 D12 DODECANE × 1 SO4 SULFATE ION × 3 GOL GLYCEROL × 2 LPX (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate × 1 DDQ DECYLAMINE-N,N-DIMETHYL-N-OXIDE × 1 C14 TETRADECANE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.6；291 K；0.05M ADA, PH 6.6, 0.13-0.2M AMMONIUM SULFATE, 5% GLYCEROL, 8-9% PEG4000, 0.006M BDM88832
|
Resolution 2.80 Å R-free 0.261 |
| 7OUM BDM88855 inhibitor bound to the transmembrane domain of AcrB-R971A Deposited 2021-06-12 | Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Not recorded | LMT DODECYL-BETA-D-MALTOSIDE × 7 C14 TETRADECANE × 1 DDQ DECYLAMINE-N,N-DIMETHYL-N-OXIDE × 2 GOL GLYCEROL × 3 1K8 3-chloranyl-2-piperazin-1-yl-quinoline × 2 D10 DECANE × 4 EDO 1,2-ETHANEDIOL × 17 SO4 SULFATE ION × 2 OCT N-OCTANE × 4 LPX (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.6；291 K；0.05M ADA, PH 6.6, 0.13-0.2M AMMONIUM SULFATE, 5% GLYCEROL, 8-9% PEG4000, 0.006M BDM88855
|
Resolution 2.45 Å R-free 0.256 |
| 7RR6 Multidrug efflux pump subunit AcrB Deposited 2021-08-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Not recorded | PTY PHOSPHATIDYLETHANOLAMINE × 27 D12 DODECANE × 8 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 5
cryo-EM vitrification conditions
Cryogen ETHANE-PROPANE
|
Resolution 3.10 Å |
| 7RR7 Multidrug efflux pump subunit AcrB Deposited 2021-08-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Not recorded | PTY PHOSPHATIDYLETHANOLAMINE × 15 D12 DODECANE × 12 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.8
cryo-EM vitrification conditions
Cryogen ETHANE-PROPANE
|
Resolution 3.05 Å |
| 7RR8 Multidrug efflux pump subunit AcrB Deposited 2021-08-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Not recorded | PTY PHOSPHATIDYLETHANOLAMINE × 13 D12 DODECANE × 13 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.8
cryo-EM vitrification conditions
Cryogen ETHANE-PROPANE
|
Resolution 3.51 Å |
| 8PX7 Structure of Bacterial Multidrug Efflux transporter AcrB, solved at wavelength 3.02 A Deposited 2023-07-22 | Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
1–1049（1049 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；10% PEG 4000, 0.1 M HEPES PH 7.5, 0.1 M AMMONIUM SULPHATE AND 22% V/V GLYCEROL
|
Resolution 3.40 Å R-free 0.310 |
| 8QZQ Single particle cryo-EM co-structure of E. coli AcrB with bound BDM91531 inhibitor Deposited 2023-10-29 | Different oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Not recorded | XE9 [3-(3-chloranyl-2-piperazin-1-yl-quinolin-6-yl)phenyl]methanamine × 1 WR6 [(2~{R})-1-[[(2~{R})-2,3-bis(oxidanyl)propoxy]-oxidanyl-phosphoryl]oxy-3-undecanoyloxy-propan-2-yl] tricosanoate × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.23 Å |
| 8QZT Single particle cryo-EM co-structure of E. coli AcrB with bound BDM91531 inhibitor at 3.52 A resolution Deposited 2023-10-29 | Different oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Not recorded | XE9 [3-(3-chloranyl-2-piperazin-1-yl-quinolin-6-yl)phenyl]methanamine × 2 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.52 Å |
| 9BFH Cryo-EM co-structure of AcrB with the CU032 efflux pump inhibitor Deposited 2024-04-17 | Different oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Not recorded | A1AN8 (2S)-1-[(3R)-3-aminopyrrolidin-1-yl]-3-(3,4-dichlorophenoxy)propan-2-ol × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.62 Å |
| 9BFM Cryo-EM co-structure of AcrB with the EPM35 efflux pump inhibitor Deposited 2024-04-18 | Different oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Not recorded | A1AON (2S)-1-(3,4-dichlorophenoxy)-3-(4-{[4-(trifluoromethyl)pyrimidin-2-yl]amino}piperidin-1-yl)propan-2-ol × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.71 Å |
| 9BFN Cryo-EM co-structure of AcrB with the CU232 efflux pump inhibitor Deposited 2024-04-18 | Different oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Not recorded | 3PE 1,2-Distearoyl-sn-glycerophosphoethanolamine × 2 A1AOE (2R)-1-(4-aminopiperidin-1-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.71 Å |
| 9BFT Cryo-EM co-structure of AcrB with CU244 Deposited 2024-04-18 | Different oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Not recorded | 3PE 1,2-Distearoyl-sn-glycerophosphoethanolamine × 2 A1AOF (2S)-1-{[(1R,5R)-3-azabicyclo[3.1.0]hexan-6-yl]amino}-3-(3,5-dichlorophenoxy)propan-2-ol × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.44 Å |
| 9DXN Structure of AcrB in the form of Native cell membrane nanoparticles (NCMNP33-50) Deposited 2024-10-11 | Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.8
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.35 Å |
| 9FDP Single particle cryo-EM structure of the AcrB V612W monomer in the O state Deposited 2024-05-17 | Different construct Different mutation/modification Different oligomeric state Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
1–1049（1049 aa）
|
Mutation：V612W | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.30 Å |
| 9FDQ Single particle cryo-EM structure of the AcrB V612F monomer in the O state Deposited 2024-05-17 | Different construct Different mutation/modification Different oligomeric state Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
1–1049（1049 aa）
|
Mutation：V612F | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.47 Å |
| 9FE2 Crystallographic structure of AcrB V612W with bound minocycline Deposited 2024-05-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric |
Chain A
1–1049（1049 aa）
|
Mutation：V612W | MIY (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；0.1M MES pH 6.5, 5.5-20.5% PEG400
|
Resolution 1.89 Å R-free 0.244 |
| 9FE3 Crystallographic structure of AcrB V612W Deposited 2024-05-17 | Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric |
Chain A
1–1049（1049 aa）
|
Mutation：V612W | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；291 K；0.1M sodium acetate pH 4.5, 0.1M NaCl, 0.1M MgCl2, 20-37.5% PEG400
|
Resolution 2.30 Å R-free 0.290 |
| 9FE4 Crystallographic structure of AcrB V612F Deposited 2024-05-17 | Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain B
1–1049（1049 aa）
|
Mutation：V612F | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；291 K；0.1M citrate pH 4.6, 5% PEG400, 16-21% PEG300, 8-11% glycerol
|
Resolution 2.80 Å R-free 0.300 |
| 9FHC Crystallographic structure of AcrB V612F with bound minocycline Deposited 2024-05-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric |
Chain A
1–1049（1049 aa）
|
Mutation：V612F | MIY (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；291 K；0.1M sodium acetate pH 4.5, 3-7% PEG200, 15-25% PEG400, 0.15M MgCl2, 0.15M NaCl
|
Resolution 2.20 Å R-free 0.238 |
| 9FHG Crystallographic structure of AcrB V612N in LTO state Deposited 2024-05-27 | Different mutation/modification Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Mutation：V612N Mutation：V612N Mutation：V612N | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.6；291 K；50mM ADA pH 6.6, 5% (v/v) glycerol, 6-9% PEG4000, 110-220mM (NH4)2SO4
|
Resolution 3.00 Å R-free 0.283 |
| 9FHJ Crystallographic structure of AcrB V612N in TTT state Deposited 2024-05-27 | Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric |
Chain A
1–1049（1049 aa）
|
Mutation：V612N | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；0.1M MES pH 6.5, 5.5-20.5% PEG400
|
Resolution 3.55 Å R-free 0.326 |
| 9HAO BDM91531 inhibitor bound to the transmembrane domain of AcrB Deposited 2024-11-04 | Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Not recorded | LMT DODECYL-BETA-D-MALTOSIDE × 8 OCT N-OCTANE × 8 C14 TETRADECANE × 2 EDO 1,2-ETHANEDIOL × 14 GOL GLYCEROL × 39 D12 DODECANE × 4 HEX HEXANE × 8 XE9 [3-(3-chloranyl-2-piperazin-1-yl-quinolin-6-yl)phenyl]methanamine × 1 D10 DECANE × 2 DDR (2S)-3-hydroxypropane-1,2-diyl didecanoate × 1 DDQ DECYLAMINE-N,N-DIMETHYL-N-OXIDE × 2 SO4 SULFATE ION × 3 LPX (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.6；290 K；0.05M ADA, pH 6.6, 0.19M ammonium sulfate, 9% PEG4000, 5% Glycerol, 0.0025M BDM91531
|
Resolution 1.94 Å R-free 0.225 |
| 9HCI structure of the double Cys-substituted cross-linked AcrB variant S562C_T837C Deposited 2024-11-10 | Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Mutation：S562C, T837C Mutation：S562C, T837C Mutation：S562C, T837C | LMT DODECYL-BETA-D-MALTOSIDE × 8 D10 DECANE × 9 GOL GLYCEROL × 16 D12 DODECANE × 4 HEX HEXANE × 3 C14 TETRADECANE × 1 OCT N-OCTANE × 2 DD9 nonane × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；290 K；0.05M ADA, pH 6.5, 0.2M ammonium sulfate, 8% PEG4000, 5.1% Glycerol
|
Resolution 2.60 Å R-free 0.230 |
| 9HWL Structure of the co-purified multidrug transporter subunit ACRB in nandisc Deposited 2025-01-05 | Different oligomeric state Different experimental conditions | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
1–1049（1049 aa）
Chain B
1–1049（1049 aa）
Chain C
1–1049（1049 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5；50mM HEPES, 150mM NaCl and 5mM EGTA
cryo-EM vitrification conditions
Cryogen ETHANE；100% humidity, 16C
|
Resolution 3.27 Å |
| 9TG4 Structure of the YbjP lipoprotein bound to the AcrABZ-TolC efflux pump Deposited 2025-11-28 | Different oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 18 PDB declaration: 18-meric |
Chain J
1–1049（1049 aa）
Chain K
1–1049（1049 aa）
Chain L
1–1049（1049 aa）
|
Not recorded | CL CHLORIDE ION × 3 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.17 Å |
| 9V53 Structure of TolC, YbjP, and AcrABZ complex Deposited 2025-05-25 | Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 18 PDB declaration: octadecameric |
Chain BL
1–1049（1049 aa）
Chain BO
1–1049（1049 aa）
Chain BT
1–1049（1049 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 8
cryo-EM vitrification conditions
Cryogen NITROGEN
|
Resolution 3.39 Å |
| 9V5R cryo-EM structure of trimeric AcrB Deposited 2025-05-26 | Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
1–1034（1034 aa）
Chain B
1–1034（1034 aa）
Chain C
1–1034（1034 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE-PROPANE
|
Resolution 2.92 Å |
117 other PDB entries and 124 assemblies. Open the comparison page and filter oligomeric states
View Construct and Data Evidence
| UniProt name | ACRB_ECOLI |
| Isoform | — |
| PDB entities | 1 |
| Chains and sequence ranges | Author chain A； PDBConstruct 1–1049； UniProt 1–1049 Author chain B； PDBConstruct 1–1049； UniProt 1–1049 Author chain C； PDBConstruct 1–1049； UniProt 1–1049 |
