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| - | [[Image:1cps.jpg|left|200px]] | + | {{Seed}} |
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| | {{STRUCTURE_1cps| PDB=1cps | SCENE= }} | | {{STRUCTURE_1cps| PDB=1cps | SCENE= }} |
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| - | '''STRUCTURAL COMPARISON OF SULFODIIMINE AND SULFONAMIDE INHIBITORS IN THEIR COMPLEXES WITH ZINC ENZYMES'''
| + | ===STRUCTURAL COMPARISON OF SULFODIIMINE AND SULFONAMIDE INHIBITORS IN THEIR COMPLEXES WITH ZINC ENZYMES=== |
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| - | ==Overview==
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| - | The three-dimensional structure of (L(-)-2-carboxy-3-phenylpropyl) methylsulfodiimine in its complex with the zinc metalloenzyme carboxypeptidase A has been determined at 2.25-A resolution by x-ray crystallographic methods. This is the first example of a sulfodiimine-containing inhibitor binding to a zinc enzyme, and the structure of the enzyme-inhibitor complex reveals that the tetrahedral sulfodiimine group coordinates to the active site zinc ion in unidentate fashion. The zinc-coordinated nitrogen atom of the sulfodiimine group is also within hydrogen bonding distance to active site base Glu-270; presumably, the sulfodiimine is ionized and accepts a hydrogen bond from protonated Glu-270. The other sulfodiimine nitrogen accepts a hydrogen bond from Arg-127, and the inhibitor binds as a possible analogue of the tetrahedral transition state (or intermediate) in a promoted water pathway for peptide hydrolysis. The unidentate sulfodiimine-zinc binding mode observed in this enzyme-inhibitor complex is reminiscent of that observed in sulfonamide complexes with the zinc metalloenzyme carbonic anhydrase II, and the structural features of sulfodiimine- and sulfonamide-zinc interactions exhibit important similarities among recently determined structures of enzyme-inhibitor complexes: ionized nitrogens bind to zinc in each structure, and these nitrogens are engaged in hydrogen bond interactions with neighboring enzyme residues. | + | The line below this paragraph, {{ABSTRACT_PUBMED_1527041}}, adds the Publication Abstract to the page |
| | + | (as it appears on PubMed at http://www.pubmed.gov), where 1527041 is the PubMed ID number. |
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| | + | {{ABSTRACT_PUBMED_1527041}} |
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| | ==About this Structure== | | ==About this Structure== |
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| | [[Category: Cappalonga, A M.]] | | [[Category: Cappalonga, A M.]] |
| | [[Category: Christianson, D W.]] | | [[Category: Christianson, D W.]] |
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May 2 12:58:58 2008'' | + | |
| | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jun 30 21:04:13 2008'' |
Revision as of 18:04, 30 June 2008
Template:STRUCTURE 1cps
STRUCTURAL COMPARISON OF SULFODIIMINE AND SULFONAMIDE INHIBITORS IN THEIR COMPLEXES WITH ZINC ENZYMES
Template:ABSTRACT PUBMED 1527041
About this Structure
1CPS is a Single protein structure of sequence from Bos taurus. Full crystallographic information is available from OCA.
Reference
Structural comparison of sulfodiimine and sulfonamide inhibitors in their complexes with zinc enzymes., Cappalonga AM, Alexander RS, Christianson DW, J Biol Chem. 1992 Sep 25;267(27):19192-7. PMID:1527041
Page seeded by OCA on Mon Jun 30 21:04:13 2008
