4gcs | pdb_00004gcs

Crystal Structure of E. coli OmpF porin in complex with Ertapenem

spinqualitylabelsall models 4gcs, resolution 1.87Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 4gcs is a 2 chain structure with sequence from Escherichia coli k-12. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: 1RG Related: 4gcp, 4gcq Gene: ompF, cmlB, coa, cry, tolF, b0929, JW0912 (Escherichia coli K-12) Resources: FirstGlance, OCA, RCSB, PDBsum Publication Abstract from PubMed The structure of OmpF porin in complex with three common antibiotics (zwitterionic ampicillin, anionic ertapenem, and di-anionic carbenicillin) was determined using X-ray crystallography. The three antibiotics are found to bind within the extracellular and periplasmic pore vestibules, away from the narrow OmpF constriction zone. Using the X-ray structures as a starting point, nonequilibrium molecular dynamics simulations with an applied membrane voltage show that ionic current through the OmpF channel is blocked with bound ampicillin, but not with bound carbenicillin. The susceptibility of Escherichia coli expressing OmpF mutants to ampicillin and carbenicillin was also experimentally characterized using microbiologic assays. These results show that general diffusion by OmpF porins allows for transfer of molecules with varied charged states and give insights into the design of more efficient antibiotics. A better understanding of this mechanism will shed light on nature's way of devising channels able to enhance the transport of molecules through membranes. The Binding of Antibiotics in OmpF Porin.,Ziervogel BK, Roux B Structure. 2012 Nov 27. pii: S0969-2126(12)00410-8. doi:, 10.1016/j.str.2012.10.014. PMID:23201272 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See Also Porin

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