1daj

From Proteopedia

(Difference between revisions)
Jump to: navigation, search
(New page: 200px<br /> <applet load="1daj" size="450" color="white" frame="true" align="right" spinBox="true" caption="1daj, resolution 2.30&Aring;" /> '''COMPARISON OF TERNA...)
Current revision (06:51, 7 February 2024) (edit) (undo)
 
(24 intermediate revisions not shown.)
Line 1: Line 1:
-
[[Image:1daj.gif|left|200px]]<br />
 
-
<applet load="1daj" size="450" color="white" frame="true" align="right" spinBox="true"
 
-
caption="1daj, resolution 2.30&Aring;" />
 
-
'''COMPARISON OF TERNARY COMPLEXES OF PNEUMOCYSTIS CARINII AND WILD TYPE HUMAN DIHYDROFOLATE REDUCTASE WITH COENZYME NADPH AND A NOVEL CLASSICAL ANTITUMOR FURO[2,3D]PYRIMIDINE ANTIFOLATE'''<br />
 
-
==Overview==
+
==COMPARISON OF TERNARY COMPLEXES OF PNEUMOCYSTIS CARINII AND WILD TYPE HUMAN DIHYDROFOLATE REDUCTASE WITH COENZYME NADPH AND A NOVEL CLASSICAL ANTITUMOR FURO[2,3D]PYRIMIDINE ANTIFOLATE==
-
The novel furopyrimidine, N-(4-{N-[(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)methyl]methylamino}benzoyl), -L- glutamate (MTXO), a classical antifolate with antitumor activity, comparable to that of methotrexate (MTX), has been studied as, inhibitor-cofactor ternary crystal complexes with wild-type Pneumocystis, carinii (pc) and recombinant human wild-type dihydrofolate reductase, (hDHFR). These structural data provide the first direct comparison of the, binding interactions of the same antifolate inhibitor in the active site, for pc and human DHFR. The human ternary DHFR complex crystallizes in the, rhombohedral space group R3 and is isomorphous to the ternary complex, reported for a gamma-tetrazole methotrexate analogue, MTXT. The pcDHFR, complex crystallizes in the monoclinic space group ... [[http://ispc.weizmann.ac.il/pmbin/getpm?15299851 (full description)]]
+
<StructureSection load='1daj' size='340' side='right'caption='[[1daj]], [[Resolution|resolution]] 2.30&Aring;' scene=''>
 +
== Structural highlights ==
 +
<table><tr><td colspan='2'>[[1daj]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Pneumocystis_carinii Pneumocystis carinii]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1DAJ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1DAJ FirstGlance]. <br>
 +
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.3&#8491;</td></tr>
 +
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=MOT:N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN-5-YL)METHYL]METHYLAMINO]-BENZOYL]-L-GLUTAMATE'>MOT</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene></td></tr>
 +
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1daj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1daj OCA], [https://pdbe.org/1daj PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1daj RCSB], [https://www.ebi.ac.uk/pdbsum/1daj PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1daj ProSAT]</span></td></tr>
 +
</table>
 +
== Function ==
 +
[https://www.uniprot.org/uniprot/DYR_PNECA DYR_PNECA] Key enzyme in folate metabolism. Catalyzes an essential reaction for de novo glycine and purine synthesis, and for DNA precursor synthesis.
 +
== Evolutionary Conservation ==
 +
[[Image:Consurf_key_small.gif|200px|right]]
 +
Check<jmol>
 +
<jmolCheckbox>
 +
<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/da/1daj_consurf.spt"</scriptWhenChecked>
 +
<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
 +
<text>to colour the structure by Evolutionary Conservation</text>
 +
</jmolCheckbox>
 +
</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=1daj ConSurf].
 +
<div style="clear:both"></div>
-
==About this Structure==
+
==See Also==
-
1DAJ is a [[http://en.wikipedia.org/wiki/Single_protein Single protein]] structure of sequence from [[http://en.wikipedia.org/wiki/Pneumocystis_carinii Pneumocystis carinii]] with NDP and MOT as [[http://en.wikipedia.org/wiki/ligands ligands]]. Active as [[http://en.wikipedia.org/wiki/ ]], 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=1DAJ OCA]].
+
*[[Dihydrofolate reductase 3D structures|Dihydrofolate reductase 3D structures]]
-
 
+
__TOC__
-
==Reference==
+
</StructureSection>
-
Comparison of ternary complexes of Pneumocystis carinii and wild-type human dihydrofolate reductase with coenzyme NADPH and a novel classical antitumor furo[2,3-d]pyrimidine antifolate., Cody V, Galitsky N, Luft JR, Pangborn W, Gangjee A, Devraj R, Queener SF, Blakley RL, Acta Crystallogr D Biol Crystallogr. 1997 Nov 1;53(Pt 6):638-49. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=15299851 15299851]
+
[[Category: Large Structures]]
[[Category: Pneumocystis carinii]]
[[Category: Pneumocystis carinii]]
-
[[Category: Single protein]]
+
[[Category: Blakley RL]]
-
[[Category: Blakley, R.L.]]
+
[[Category: Cody V]]
-
[[Category: Cody, V.]]
+
[[Category: Devraj R]]
-
[[Category: Devraj, R.]]
+
[[Category: Galitsky N]]
-
[[Category: Galitsky, N.]]
+
[[Category: Gangjee A]]
-
[[Category: Gangjee, A.]]
+
[[Category: Luft JR]]
-
[[Category: Luft, J.R.]]
+
[[Category: Pangborn W]]
-
[[Category: Pangborn, W.]]
+
[[Category: Queener SF]]
-
[[Category: Queener, S.F.]]
+
-
[[Category: MOT]]
+
-
[[Category: NDP]]
+
-
[[Category: oxidoreductase]]
+
-
 
+
-
''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Mon Oct 29 21:03:45 2007''
+

Current revision

COMPARISON OF TERNARY COMPLEXES OF PNEUMOCYSTIS CARINII AND WILD TYPE HUMAN DIHYDROFOLATE REDUCTASE WITH COENZYME NADPH AND A NOVEL CLASSICAL ANTITUMOR FURO[2,3D]PYRIMIDINE ANTIFOLATE

PDB ID 1daj

Drag the structure with the mouse to rotate

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/1daj"
Personal tools