4wbc
From Proteopedia
(New page: 200px<br /><applet load="4wbc" size="450" color="white" frame="true" align="right" spinBox="true" caption="4wbc, resolution 2.138Å" /> '''2.13 A STRUCTURE OF...) |
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| - | [[Image:4wbc.jpg|left|200px]]<br /><applet load="4wbc" size=" | + | [[Image:4wbc.jpg|left|200px]]<br /><applet load="4wbc" size="350" color="white" frame="true" align="right" spinBox="true" |
caption="4wbc, resolution 2.138Å" /> | caption="4wbc, resolution 2.138Å" /> | ||
'''2.13 A STRUCTURE OF A KUNITZ-TYPE WINGED BEAN CHYMOTRYPSIN INHIBITOR PROTEIN'''<br /> | '''2.13 A STRUCTURE OF A KUNITZ-TYPE WINGED BEAN CHYMOTRYPSIN INHIBITOR PROTEIN'''<br /> | ||
==Overview== | ==Overview== | ||
| - | The crystal structure of a Kunitz-type double-headed alpha--chymotrypsin | + | The crystal structure of a Kunitz-type double-headed alpha--chymotrypsin inhibitor from winged bean seeds has been refined at 2.13 A resolution using data collected from cryo-cooled (90 K) crystals which belong to the hexagonal space group P6(1)22 with unit-cell parameters a = b = 60.84, c = 207.91 A. The volume of the unit cell is reduced by 5.3% on cooling. The refinement converged to an R value of 20.0% (R(free) = 25.8%) for 11100 unique reflections and the model shows good stereochemistry, with r.m.s. deviations from ideal values for bond lengths and bond angles of 0.011 A and 1.4 degrees, respectively. The structural architecture of the protein consists of 12 antiparallel beta-strands joined in the form of a characteristic beta-trefoil fold, with the two reactive-site regions, Asn38-Leu43 and Gln63-Phe68, situated on two external loops. Although the overall protein fold is the same as that of the room-temperature model, some conformational changes are observed in the loop regions and in the side chains of a few surface residues. A total of 176 ordered water molecules and five sulfate ions are included in the model. |
==About this Structure== | ==About this Structure== | ||
| - | 4WBC is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Psophocarpus_tetragonolobus Psophocarpus tetragonolobus] with SO4 as [http://en.wikipedia.org/wiki/ligand ligand]. This structure | + | 4WBC is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Psophocarpus_tetragonolobus Psophocarpus tetragonolobus] with <scene name='pdbligand=SO4:'>SO4</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. This structure supersedes the now removed PDB entry 3WBC. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4WBC OCA]. |
==Reference== | ==Reference== | ||
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[[Category: Single protein]] | [[Category: Single protein]] | ||
[[Category: Chakrabarti, C.]] | [[Category: Chakrabarti, C.]] | ||
| - | [[Category: Dattagupta, J | + | [[Category: Dattagupta, J K.]] |
[[Category: Ravichandran, S.]] | [[Category: Ravichandran, S.]] | ||
[[Category: Sen, U.]] | [[Category: Sen, U.]] | ||
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[[Category: serine protease inhibitor]] | [[Category: serine protease inhibitor]] | ||
| - | ''Page seeded by [http:// | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 19:14:38 2008'' |
Revision as of 17:14, 21 February 2008
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2.13 A STRUCTURE OF A KUNITZ-TYPE WINGED BEAN CHYMOTRYPSIN INHIBITOR PROTEIN
Overview
The crystal structure of a Kunitz-type double-headed alpha--chymotrypsin inhibitor from winged bean seeds has been refined at 2.13 A resolution using data collected from cryo-cooled (90 K) crystals which belong to the hexagonal space group P6(1)22 with unit-cell parameters a = b = 60.84, c = 207.91 A. The volume of the unit cell is reduced by 5.3% on cooling. The refinement converged to an R value of 20.0% (R(free) = 25.8%) for 11100 unique reflections and the model shows good stereochemistry, with r.m.s. deviations from ideal values for bond lengths and bond angles of 0.011 A and 1.4 degrees, respectively. The structural architecture of the protein consists of 12 antiparallel beta-strands joined in the form of a characteristic beta-trefoil fold, with the two reactive-site regions, Asn38-Leu43 and Gln63-Phe68, situated on two external loops. Although the overall protein fold is the same as that of the room-temperature model, some conformational changes are observed in the loop regions and in the side chains of a few surface residues. A total of 176 ordered water molecules and five sulfate ions are included in the model.
About this Structure
4WBC is a Single protein structure of sequence from Psophocarpus tetragonolobus with as ligand. This structure supersedes the now removed PDB entry 3WBC. Full crystallographic information is available from OCA.
Reference
Cryocrystallography of a Kunitz-type serine protease inhibitor: the 90 K structure of winged bean chymotrypsin inhibitor (WCI) at 2.13 A resolution., Ravichandran S, Sen U, Chakrabarti C, Dattagupta JK, Acta Crystallogr D Biol Crystallogr. 1999 Nov;55(Pt 11):1814-21. PMID:10531477
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