2gqv

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{{STRUCTURE_2gqv| PDB=2gqv | SCENE= }}
{{STRUCTURE_2gqv| PDB=2gqv | SCENE= }}
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'''High-resolution structure of a plasmid-encoded dihydrofolate reductase: pentagonal network of water molecules in the D2-symmetric active site'''
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===High-resolution structure of a plasmid-encoded dihydrofolate reductase: pentagonal network of water molecules in the D2-symmetric active site===
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==Overview==
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R67 plasmid-encoded dihydrofolate reductase (R67 DHFR) is an NADPH-dependent homotetrameric enzyme that catalyzes the reduction of dihydrofolate to tetrahydrofolate. The amino-acid sequence and molecular architecture of R67 DHFR and its inhibitory properties toward folate analogues are different from those of chromosomal DHFR. Here, the crystal structure of R67 DHFR refined using 1.1 A resolution data is presented. Blocked full-matrix least-squares refinement without restraints resulted in a final R factor of 11.4%. The anisotropic atomic displacement parameters analyzed by Rosenfield matrices and translation-libration-screw validation suggested four quasi-rigid domains. A total of ten Calpha-H...O hydrogen bonds were identified between the beta-strands. There is reasonable structural evidence that His62 is not protonated in the tetramer, which is in accord with previous pH-profile studies. The side chain of Gln67 that protrudes into the active site exhibits dual conformation, a feature noticed for the first time owing to the availability of atomic resolution data. The R67 DHFR active site is unique: it has D2 symmetry and is a large active site with a pentagonal network of water molecules and exposure of backbone atoms to solvent; the central pore is favorable for planar ring-stacking interactions. The geometrical shape, overall symmetry, local asymmetry and waters appear to dominate the binding of ligands, catalysis and inhibition.
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(as it appears on PubMed at http://www.pubmed.gov), where 16790925 is the PubMed ID number.
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{{ABSTRACT_PUBMED_16790925}}
==About this Structure==
==About this Structure==
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==Reference==
==Reference==
High-resolution structure of a plasmid-encoded dihydrofolate reductase: pentagonal network of water molecules in the D2-symmetric active site., Narayana N, Acta Crystallogr D Biol Crystallogr. 2006 Jul;62(Pt 7):695-706. Epub 2006, Jun 20. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/16790925 16790925]
High-resolution structure of a plasmid-encoded dihydrofolate reductase: pentagonal network of water molecules in the D2-symmetric active site., Narayana N, Acta Crystallogr D Biol Crystallogr. 2006 Jul;62(Pt 7):695-706. Epub 2006, Jun 20. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/16790925 16790925]
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A plasmid-encoded dihydrofolate reductase from trimethoprim-resistant bacteria has a novel D2-symmetric active site., Narayana N, Matthews DA, Howell EE, Nguyen-huu X, Nat Struct Biol. 1995 Nov;2(11):1018-25. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/7583655 7583655]
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Crystal structure of a novel trimethoprim-resistant dihydrofolate reductase specified in Escherichia coli by R-plasmid R67., Matthews DA, Smith SL, Baccanari DP, Burchall JJ, Oatley SJ, Kraut J, Biochemistry. 1986 Jul 29;25(15):4194-204. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/3530319 3530319]
[[Category: Dihydrofolate reductase]]
[[Category: Dihydrofolate reductase]]
[[Category: Escherichia coli]]
[[Category: Escherichia coli]]
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[[Category: Plasmid-encoded r67 dhfr]]
[[Category: Plasmid-encoded r67 dhfr]]
[[Category: Tmp-resistant dhfr]]
[[Category: Tmp-resistant dhfr]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 05:25:06 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jul 28 10:26:54 2008''

Revision as of 07:26, 28 July 2008

Image:2gqv.png

Template:STRUCTURE 2gqv

High-resolution structure of a plasmid-encoded dihydrofolate reductase: pentagonal network of water molecules in the D2-symmetric active site

Template:ABSTRACT PUBMED 16790925

About this Structure

2GQV is a Single protein structure of sequence from Escherichia coli. Full crystallographic information is available from OCA.

Reference

High-resolution structure of a plasmid-encoded dihydrofolate reductase: pentagonal network of water molecules in the D2-symmetric active site., Narayana N, Acta Crystallogr D Biol Crystallogr. 2006 Jul;62(Pt 7):695-706. Epub 2006, Jun 20. PMID:16790925

A plasmid-encoded dihydrofolate reductase from trimethoprim-resistant bacteria has a novel D2-symmetric active site., Narayana N, Matthews DA, Howell EE, Nguyen-huu X, Nat Struct Biol. 1995 Nov;2(11):1018-25. PMID:7583655

Crystal structure of a novel trimethoprim-resistant dihydrofolate reductase specified in Escherichia coli by R-plasmid R67., Matthews DA, Smith SL, Baccanari DP, Burchall JJ, Oatley SJ, Kraut J, Biochemistry. 1986 Jul 29;25(15):4194-204. PMID:3530319

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