1oa6

The solution structure of bovine pancreatic trypsin inhibitor at high pressure

spinqualitylabelsall models 1oa6, 3 NMR models Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 1oa6 is a 1 chain structure with sequence from Bos taurus. Full experimental information is available from OCA. For a guided tour on the structure components use FirstGlance. Related: 1aal, 1b0c, 1bhc, 1bpi, 1bpt, 1bth, 1bti, 1bz5, 1bzx, 1cbw, 1d0d, 1eaw, 1ejm, 1f5r, 1f7z, 1fan, 1fy8, 1g6x, 1jv8, 1jv9, 1k6u, 1ld5, 1ld6, 1mtn, 1nag, 1oa5, 1pit, 1qlq, 1tpa, 2hex, 2kai, 2ptc, 2tgp, 2tpi, 3btd, 3bte, 3btf, 3btg, 3bth, 3btk, 3btm, 3btq, 3btt, 3btw, 3tgi, 3tgj, 3tgk, 3tpi, 4pti, 4tpi, 5pti, 6pti, 7pti, 8pti, 9pti Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function [BPT1_BOVIN] Inhibits trypsin, kallikrein, chymotrypsin, and plasmin. 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 solution structure of bovine pancreatic trypsin inhibitor (BPTI) at a pressure of 2 kbar is presented. The structure was calculated as a change from an energy-minimized low-pressure structure, using (1)H chemical shifts as restraints. The structure has changed by 0.24 A RMS, and has almost unchanged volume. The largest changes as a result of pressure are in the loop 10-16, which contains the active site of BPTI, and residues 38-42, which are adjacent to buried water molecules. Hydrogen bonds are compressed by 0.029 +/- 0.117 A, with the longer hydrogen bonds, including those to internal buried water molecules, being compressed more. The hydrophobic core is also compressed, largely from reduction of packing defects. The parts of the structure that have the greatest change are close to buried water molecules, thus highlighting the importance of water molecules as the nucleation sites for volume fluctuation of proteins in native conditions. The solution structure of bovine pancreatic trypsin inhibitor at high pressure.,Williamson MP, Akasaka K, Refaee M Protein Sci. 2003 Sep;12(9):1971-9. PMID:12930996 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See Also BPTI 3D structures

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