1dr1

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(New page: 200px<br /><applet load="1dr1" size="450" color="white" frame="true" align="right" spinBox="true" caption="1dr1, resolution 2.2&Aring;" /> '''2.2 ANGSTROMS CRYSTAL...)
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[[Image:1dr1.gif|left|200px]]<br /><applet load="1dr1" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1dr1, resolution 2.2&Aring;" />
 
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'''2.2 ANGSTROMS CRYSTAL STRUCTURE OF CHICKEN LIVER DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADP+ AND BIOPTERIN'''<br />
 
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==Overview==
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==2.2 ANGSTROMS CRYSTAL STRUCTURE OF CHICKEN LIVER DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADP+ AND BIOPTERIN==
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The 2.2-A crystal structure of chicken liver dihydrofolate reductase (EC, 1.5.1.3, DHFR) has been solved as a ternary complex with NADP+ and, biopterin (a poor substrate). The space group and unit cell are, isomorphous with the previously reported structure of chicken liver DHFR, complexed with NADPH and phenyltriazine [Volz, K. W., Matthews, D. A., Alden, R. A., Freer, S. T., Hansch, C., Kaufman, B. T., &amp; Kraut, J. (1982), J. Biol. Chem. 257, 2528-2536]. The structure contains an ordered water, molecule hydrogen-bonded to both hydroxyls of the biopterin, dihydroxypropyl group as well as to O4 and N5 of the biopterin pteridine, ring. This water molecule, not observed in previously determined DHFR, structures, is positioned to complete a proposed route for proton transfer, from the side-chain carboxylate of E30 to N5 of the pteridine ring., Protonation of N5 is believed to occur during the reduction of, dihydropteridine substrates. The positions of the NADP+ nicotinamide and, biopterin pteridine rings are quite similar to the nicotinamide and, pteridine ring positions in the Escherichia coli DHFR.NADP+.folate complex, [Bystroff, C., Oatley, S. J., &amp; Kraut, J. (1990) Biochemistry 29, 3263-3277], suggesting that the reduction of biopterin and the reduction, of folate occur via similar mechanisms, that the binding geometry of the, nicotinamide and pteridine rings is conserved between DHFR species, and, that the p-aminobenzoylglutamate moiety of folate is not required for, correct positioning of the pteridine ring in ground-state ternary, complexes. Instead, binding of the p-aminobenzoylglutamate moiety of, folate may induce the side chain of residue 31 (tyrosine or phenylalanine), in vertebrate DHFRs to adopt a conformation in which the opening to the, pteridine binding site is too narrow to allow the substrate to diffuse, away rapidly. A reverse conformational change of residue 31 is proposed to, be required for tetrahydrofolate release.
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<StructureSection load='1dr1' size='340' side='right'caption='[[1dr1]], [[Resolution|resolution]] 2.20&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1dr1]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Gallus_gallus Gallus gallus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1DR1 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1DR1 FirstGlance]. <br>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.2&#8491;</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=HBI:7,8-DIHYDROBIOPTERIN'>HBI</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1dr1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1dr1 OCA], [https://pdbe.org/1dr1 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1dr1 RCSB], [https://www.ebi.ac.uk/pdbsum/1dr1 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1dr1 ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/DYR_CHICK DYR_CHICK] Key enzyme in folate metabolism. Contributes to the de novo mitochondrial thymidylate biosynthesis pathway. Catalyzes an essential reaction for de novo glycine and purine synthesis, and for DNA precursor synthesis. May bind to mRNA.
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/dr/1dr1_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=1dr1 ConSurf].
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<div style="clear:both"></div>
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==About this Structure==
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==See Also==
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1DR1 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Gallus_gallus Gallus gallus] with CA, NAP and HBI as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Dihydrofolate_reductase Dihydrofolate reductase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.5.1.3 1.5.1.3] Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1DR1 OCA].
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*[[Dihydrofolate reductase 3D structures|Dihydrofolate reductase 3D structures]]
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__TOC__
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==Reference==
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</StructureSection>
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Crystal structure of chicken liver dihydrofolate reductase complexed with NADP+ and biopterin., McTigue MA, Davies JF 2nd, Kaufman BT, Kraut J, Biochemistry. 1992 Aug 18;31(32):7264-73. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=1510919 1510919]
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[[Category: Dihydrofolate reductase]]
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[[Category: Gallus gallus]]
[[Category: Gallus gallus]]
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[[Category: Single protein]]
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[[Category: Large Structures]]
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[[Category: /II, J.F.Davies.]]
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[[Category: Davies /II JF]]
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[[Category: Kaufman, B.T.]]
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[[Category: Kaufman BT]]
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[[Category: Kraut, J.]]
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[[Category: Kraut J]]
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[[Category: Mctigue, M.A.]]
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[[Category: Mctigue MA]]
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[[Category: Xuong, N.H.]]
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[[Category: Xuong N-H]]
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[[Category: CA]]
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[[Category: HBI]]
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[[Category: NAP]]
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[[Category: oxidoreductase]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Nov 20 13:30:48 2007''
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Current revision

2.2 ANGSTROMS CRYSTAL STRUCTURE OF CHICKEN LIVER DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADP+ AND BIOPTERIN

PDB ID 1dr1

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