2tnf

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spinqualitylabelsall models 2tnf, resolution 1.40Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image

1.4 A RESOLUTION STRUCTURE OF MOUSE TUMOR NECROSIS FACTOR, TOWARDS MODULATION OF ITS SELCTIVITY AND TRIMERISATION

Overview

The 1.4 A resolution structure of recombinant mouse tumour-necrosis factor, alpha (mTNF) at 100 K has been determined. The crystals are triclinic, space group P1, with unit-cell parameters a = 48.06, b = 48.18, c = 51.01, A, alpha = 114.8, beta = 103.6, gamma = 91.1 degrees. The structure was, refined to a final crystallographic R value of 19.7% (Rfree = 23.3%), including 3477 protein atoms, one 2-propanol molecule, one Tris molecule, and 240 water molecules. Throughout the crystal lattice, the trimers are, differently packed compared with human TNF, which was crystallized in the, tetragonal space group P41212 and refined to 2.6 A resolution. The, structures of mTNF and human TNF are very similar, diverging mainly in, regions that are either flexible and/or involved in crystal packing. Some, loops in mTNF which contain residues important for receptor binding are, better resolved than in human TNF, such as the surface-exposed loops 30-34, and 144-147, which are also important for receptor specificity. Compared, with human TNFs, the channel formed by the three monomers in mTNF is, narrower. One 2-propanol molecule trapped in the trimeric channel could be, a lead compound for the design of TNF inhibitors.

About this Structure

2TNF is a Single protein structure of sequence from Mus musculus with TRS and IPA as ligands. Full crystallographic information is available from OCA.

Reference

The structure of mouse tumour-necrosis factor at 1.4 A resolution: towards modulation of its selectivity and trimerization., Baeyens KJ, De Bondt HL, Raeymaekers A, Fiers W, De Ranter CJ, Acta Crystallogr D Biol Crystallogr. 1999 Apr;55(Pt 4):772-8. PMID:10089307

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