5nbw

Crystal structure of the Fab fragment 22F12 in complex with 3-hydroxybenzo[a]pyrene

spinqualitylabelsall models 5nbw, resolution 2.40Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 5nbw is a 4 chain structure with sequence from Mus musculus. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: X-ray diffraction, Resolution 2.4Å Ligands: 8SK Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Publication Abstract from PubMed Benzo[a]pyrene, which is produced during the incomplete combustion of organic material, is an abundant noxious pollutant because of its carcinogenic metabolic degradation products. The high-affinity (KD approximately 3 nm) monoclonal antibody 22F12 allows facile bioanalytical quantification of benzo[a]pyrene even in complex matrices. We report the functional and X-ray crystallographic analysis of 22F12 in complex with 3-hydroxybenzo[a]pyrene after cloning of the V-genes and production as a recombinant Fab fragment. The polycyclic aromatic hydrocarbon is bound in a deep pocket between the light and heavy chains, surrounded mainly by aromatic and aliphatic amino acid side chains. Interestingly, the hapten-antibody interface is less densely packed than expected and reveals polar, H-bond-like interactions with the polycyclic aromatic pi-electron system, which may allow the antibody to maintain a large, predominantly hydrophobic binding site in an aqueous environment while providing sufficient complementarity to its ligand. Tight Molecular Recognition of Benzo[a]pyrene by a High-Affinity Antibody.,Eichinger A, Neumaier I, Pschenitza M, Niessner R, Knopp D, Skerra A Angew Chem Int Ed Engl. 2017 Aug 21;56(35):10592-10597. doi:, 10.1002/anie.201703893. Epub 2017 Jul 21. PMID:28603847 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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