Effect of the F610A mutation on substrate extrusion in the AcrB transporter: Explanation and rationale by molecular dynamics simulations

Journal of the American Chemical Society

Volumn 133, Issue 28, 2011, Pages 10704-10707

  Vargiu, Attilio V ^a   Collu, Francesca ^a,b,f   Schulz, Robert ^c   Pos, Klaas M ^d   Zacharias, Martin ^e   Kleinekathöfer, Ulrich ^c   Ruggerone, Paolo ^b  

^a IOM CNR LABORATORIO TASC   (Italy)

^b UNIVERSITY OF CAGLIARI   (Italy)

^c JACOBS UNIVERSITY BREMEN   (Germany)

^d GOETHE UNIVERSITY   (Germany)

^e TECHNICAL UNIVERSITY OF MUNICH   (Germany)

^f UNIVERSITY OF BERN   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVE PARTS; BINDING POCKETS; BIOCHEMICAL STUDIES; COMPUTATIONAL TECHNIQUE; DOXORUBICIN; EFFLUX PUMPS; ENERGY TRANSDUCTION; MINIMUM INHIBITORY CONCENTRATION; MOLECULAR DYNAMICS SIMULATIONS; MULTIDRUG RESISTANCE; MULTIDRUG TRANSPORTERS; SELECTIVE BINDING; SUBSTRATE BINDING; SUBTLE INTERACTION; TRANSPORT KINETIC;

AMIDES; BINDING ENERGY; BINDING SITES; ESCHERICHIA COLI; EXTRUSION; MOLECULAR DYNAMICS;

SUBSTRATES;

ACRB TRANSPORTER PROTEIN; ALANINE; DOXORUBICIN; MEMBRANE PROTEIN; PHENYLALANINE; UNCLASSIFIED DRUG;

ARTICLE; BINDING SITE; GENE MUTATION; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; NONHUMAN; PROTEIN CONFORMATION; PROTEIN STRUCTURE;

AMINO ACID SUBSTITUTION; COMPUTATIONAL BIOLOGY; DOXORUBICIN; ESCHERICHIA COLI; ESCHERICHIA COLI PROTEINS; MOLECULAR DYNAMICS SIMULATION; MULTIDRUG RESISTANCE-ASSOCIATED PROTEINS; MUTANT PROTEINS; MUTATION; PROTEIN CONFORMATION;

EID: 79960204167     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja202666x     Document Type: Article

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