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Structure paper

TitleAllosteric drug transport mechanism of multidrug transporter AcrB.
Journal, issue, pagesNat Commun, Vol. 12, Page 3889-3889, Year 2021
Publish dateJul 7, 2020 (structure data deposition date)
AuthorsTam, H.K. / Foong, W.E. / Oswald, C. / Herrmann, A. / Zeng, H. / Pos, K.M.
External linksNat Commun / PubMed:34188038
MethodsX-ray diffraction
Resolution2.35 - 3.3 Å
Structure data

PDB-6zo5:
Fusidic acid binding to the TM1/TM2 groove of AcrB-G619P_G621P
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-6zo6:
Minocycline binding to the deep binding pocket of AcrB-G619P
Method: X-RAY DIFFRACTION / Resolution: 2.35 Å

PDB-6zo7:
3-Formylrifamycin SV binding to the access pocket of AcrB-G619P L and T protomer
Method: X-RAY DIFFRACTION / Resolution: 2.85 Å

PDB-6zo8:
Minocycline binding to the deep binding pocket of AcrB-G621P
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-6zo9:
Binding of two rifabutins to the access pocket of AcrB-G621P T protomer
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

PDB-6zoa:
Partially induced AcrB T protomer and DDM binding to the TM8/PC2 pathway of AcrB L2 protomer
Method: X-RAY DIFFRACTION / Resolution: 3.05 Å

PDB-6zob:
3-Formylrifamycin SV binding to the access pocket of AcrB L protomer
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

PDB-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
Method: X-RAY DIFFRACTION / Resolution: 2.89 Å

PDB-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
Method: X-RAY DIFFRACTION / Resolution: 2.85 Å

PDB-6zoe:
AcrB-F563A symmetric T protomer
Method: X-RAY DIFFRACTION / Resolution: 2.85 Å

PDB-6zof:
Fusidic acid binding to the TM7/TM8 groove of AcrB-F380A T protomer
Method: X-RAY DIFFRACTION / Resolution: 3.3 Å

PDB-6zog:
Minocycline binding to the deep binding pocket of AcrB-I38F_I671T
Method: X-RAY DIFFRACTION / Resolution: 2.75 Å

PDB-6zoh:
3-Formylrifamycin SV binding to the access pocket of AcrB-G619P_G621P L and T protomers
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

Chemicals

ChemComp-XPE:
3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL / precipitant*YM

ChemComp-LMT:
DODECYL-BETA-D-MALTOSIDE / detergent*YM

ChemComp-D12:
DODECANE

ChemComp-D10:
DECANE

ChemComp-GOL:
GLYCEROL

ChemComp-HEX:
HEXANE

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-DDR:
(2S)-3-hydroxypropane-1,2-diyl didecanoate

ChemComp-FUA:
FUSIDIC ACID / antibiotic, Antimicrobial*YM

ChemComp-C14:
TETRADECANE

ChemComp-SO4:
SULFATE ION

ChemComp-LPX:
(2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate

ChemComp-PGE:
TRIETHYLENE GLYCOL

ChemComp-PTY:
PHOSPHATIDYLETHANOLAMINE / phospholipid*YM

ChemComp-OCT:
N-OCTANE

ChemComp-HOH:
WATER

ChemComp-DDQ:
DECYLAMINE-N,N-DIMETHYL-N-OXIDE

ChemComp-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- / medication, antibiotic*YM

ChemComp-CL:
Unknown entry

ChemComp-MYS:
PENTADECANE

ChemComp-PG4:
TETRAETHYLENE GLYCOL / precipitant*YM

ChemComp-8K6:
Octadecane

ChemComp-R16:
HEXADECANE

ChemComp-1PE:
PENTAETHYLENE GLYCOL / precipitant*YM

ChemComp-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

ChemComp-NA:
Unknown entry

ChemComp-LMU:
DODECYL-ALPHA-D-MALTOSIDE / detergent*YM

ChemComp-RBT:
RIFABUTIN / antibiotic, antiretroviral*YM

ChemComp-LNK:
PENTANE

ChemComp-ETE:
2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL

ChemComp-ERY:
ERYTHROMYCIN A / antibiotic*YM

Source
  • escherichia coli k-12 (bacteria)
  • synthetic construct (others)
  • escherichia coli (strain k12) (bacteria)
KeywordsTRANSPORT PROTEIN / Multidrug efflux pump / Membrane protein

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