5pti | pdb_00005pti

STRUCTURE OF BOVINE PANCREATIC TRYPSIN INHIBITOR. RESULTS OF JOINT NEUTRON AND X-RAY REFINEMENT OF CRYSTAL FORM II

spinqualitylabelsall models 5pti, resolution 1.00Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 5pti is a 1 chain structure with sequence from Bos taurus. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: Hybrid , Neutron Diffraction , X-ray diffraction, Resolution 1Å Ligands: DOD, PO4 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 structure of form II crystals of bovine pancreatic trypsin inhibitor has been investigated by joint refinement of X-ray and neutron data. Crystallographic R factors for the final model were 0.200 for the X-ray data extending to 1 A resolution and 0.197 for the 1.8 A neutron data. This model was strongly restrained, with 0.020 A root-mean-square (r.m.s.) departure of bond lengths from their ideal values and 0.019 A r.m.s. departure of planar groups from planarity. The resulting structure was very similar to that of crystal form I (r.m.s. deviation for main chain atoms was 0.40 A); nevertheless larger deviations were observed in particular regions of the chain. Twenty out of 63 ordered water molecules occupy similar positions (deviation less than 1 A) in both models. Eleven amide hydrogens were found to be protected from exchange after three months of soaking the crystals in deuterated mother liquor at pH 8.2. Their locations were in excellent agreement with the results obtained by two-dimensional nuclear magnetic resonance, but the rates of exchange are much lower in the crystalline state. Structure of bovine pancreatic trypsin inhibitor. Results of joint neutron and X-ray refinement of crystal form II.,Wlodawer A, Walter J, Huber R, Sjolin L J Mol Biol. 1984 Dec 5;180(2):301-29. PMID:6210373 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See Also BPTI 3D structures

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