1w6b

Solution NMR Structure of a Long Neurotoxin from the Venom of the Asian Cobra, 20 Structures

spinqualitylabelsall models 1w6b Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 1w6b is a 1 chain structure with sequence from Naja oxiana. Full experimental information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: Solution NMR Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function 3L21_NAJOX Binds with high affinity to muscular (tested on Torpedo marmorata AChR, Kd=0.38 nM) and neuronal (tested on chimeric alpha-7/CHRNA7, Kd=12 nM) nicotinic acetylcholine receptor (nAChR) and inhibits acetylcholine from binding to the receptor, thereby impairing neuromuscular and neuronal transmission (PubMed:9305882). The toxin also shows a very weak inhibition of GABA(A) receptors composed of alpha-1-beta-3-gamma-2 (GABRA1-GABRB3-GABRG2) subunits (PubMed:26221036). Evolutionary Conservation Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf. Publication Abstract from PubMed The NMR solution structures of NTX-1 (PDB code 1W6B and BMRB 6288), a long neurotoxin isolated from the venom of Naja naja oxiana, and the molecular dynamics simulation of these structures are reported. Calculations are based on 1114 NOEs, 19 hydrogen bonds, 19 dihedral angle restraints and secondary chemical shifts derived from 1H to 13C HSQC spectrum. Similar to other long neurotoxins, the three-finger like structure shows a double and a triple stranded beta-sheet as well as some flexible regions, particularly at the tip of loop II and the C-terminal tail. The solution NMR and molecular dynamics simulated structures are in good agreement with root mean square deviation values of 0.23 and 1 A for residues involved in beta-sheet regions, respectively. The overall fold in the NMR structure is similar to that of the X-ray crystallography, although some differences exist in loop I and the tip of loop II. The most functionally important residues are located at the tip of loop II and it appears that the mobility and the local structure in this region modulate the binding of NTX-1 and other long neurotoxins to the nicotinic acetylcholine receptor. Solution structure of long neurotoxin NTX-1 from the venom of Naja naja oxiana by 2D-NMR spectroscopy.,Talebzadeh-Farooji M, Amininasab M, Elmi MM, Naderi-Manesh H, Sarbolouki MN Eur J Biochem. 2004 Dec;271(23-24):4950-7. PMID:15606783 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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