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PDBsum entry 1att
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Serine proteinase inhibitor
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PDB id
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1att
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Contents |
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* Residue conservation analysis
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References listed in PDB file
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Key reference
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Title
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Crystal structure of cleaved bovine antithrombin III at 3.2 a resolution.
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Authors
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L.Mourey,
J.P.Samama,
M.Delarue,
M.Petitou,
J.Choay,
D.Moras.
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Ref.
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J Mol Biol, 1993,
232,
223-241.
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PubMed id
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Abstract
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The crystal structure of cleaved antithrombin III (ATIII) has been determined to
3.2 A resolution by single isomorphous replacement, real space density
modification and phase extension protocols. The heavy-atom sites and the first
molecular envelope were determined owing to the molecular replacement solution
previously reported and partially refined. Refinement of the two molecules of
the asymmetric unit led to a crystallographic R-factor of 0.212 for all
reflections between 8.0 and 3.2 A, without inclusion of water molecules. The
root-mean-square deviation from ideal values is, respectively, 0.015 A and 3.6
degrees for bond lengths and bond angles. The topology of the molecule closely
resembles that of cleaved serpins inhibitors with the two residues forming the
reactive bond at opposite ends of the molecule. The most significant difference
between ATIII and alpha 1-antitrypsin lies in the 45 residue N-terminal
extension in ATIII which contribute to the definition of the heparin binding
site. This loop region at the surface of the molecule is held by two disulphide
bridges to the protein core and exhibits high temperature factor values. It
forms a valley which restrains the possibilities for binding of heparin. Docking
of the pentasaccharide unit which represents the minimum fragment of heparin
able to bind to ATIII indicates a possible role for arginine 14 in the
interaction of heparin and the protein.
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Secondary reference #1
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Title
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Antithrombin III: structural and functional aspects.
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Authors
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L.Mourey,
J.P.Samama,
M.Delarue,
J.Choay,
J.C.Lormeau,
M.Petitou,
D.Moras.
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Ref.
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Biochimie, 1990,
72,
599-608.
[DOI no: ]
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PubMed id
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Secondary reference #2
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Title
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Crystal structure of bovine antithrombin III
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Authors
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M.Delarue,
J.-P.Samama,
L.Mourey,
D.Moras.
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Ref.
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acta crystallogr ,sect b, 1990,
46,
550.
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Secondary reference #3
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Title
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Crystallization and preliminary crystallographic data for bovine antithrombin III.
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Authors
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J.P.Samama,
M.Delarue,
L.Mourey,
J.Choay,
D.Moras.
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Ref.
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J Mol Biol, 1989,
210,
877-879.
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PubMed id
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