2it4

From Proteopedia

(Difference between revisions)
Jump to: navigation, search
Current revision (10:15, 30 August 2023) (edit) (undo)
 
(15 intermediate revisions not shown.)
Line 1: Line 1:
-
[[Image:2it4.jpg|left|200px]]
 
-
{{Structure
+
==X ray structure of the complex between Carbonic Anhydrase I and the phosphonate antiviral drug foscarnet==
-
|PDB= 2it4 |SIZE=350|CAPTION= <scene name='initialview01'>2it4</scene>, resolution 2.0&Aring;
+
<StructureSection load='2it4' size='340' side='right'caption='[[2it4]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
-
|SITE=
+
== Structural highlights ==
-
|LIGAND= <scene name='pdbligand=PPF:PHOSPHONOFORMIC+ACID'>PPF</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene>
+
<table><tr><td colspan='2'>[[2it4]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2IT4 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2IT4 FirstGlance]. <br>
-
|ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Carbonate_dehydratase Carbonate dehydratase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.2.1.1 4.2.1.1] </span>
+
</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&#8491;</td></tr>
-
|GENE=
+
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=PPF:PHOSPHONOFORMIC+ACID'>PPF</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
-
|DOMAIN=
+
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2it4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2it4 OCA], [https://pdbe.org/2it4 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2it4 RCSB], [https://www.ebi.ac.uk/pdbsum/2it4 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2it4 ProSAT]</span></td></tr>
-
|RELATEDENTRY=
+
</table>
-
|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2it4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2it4 OCA], [http://www.ebi.ac.uk/pdbsum/2it4 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2it4 RCSB]</span>
+
== Function ==
-
}}
+
[https://www.uniprot.org/uniprot/CAH1_HUMAN CAH1_HUMAN] Reversible hydration of carbon dioxide. Can hydrates cyanamide to urea.<ref>PMID:10550681</ref>
 +
== 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/it/2it4_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=2it4 ConSurf].
 +
<div style="clear:both"></div>
 +
<div style="background-color:#fffaf0;">
 +
== Publication Abstract from PubMed ==
 +
Foscarnet (phosphonoformate trisodium salt), an antiviral used for the treatment of HIV and herpes virus infections, also acts as an activator or inhibitor of the metalloenzyme carbonic anhydrase (CA, EC 4.2.1.1). Interaction of the drug with 11 CA isozymes has been investigated kinetically, and the X-ray structure of its adduct with isoform I (hCA I-foscarnet complex) has been resolved. The first CA inhibitor possessing a phosphonate zinc-binding group is thus evidenced, together with the factors governing recognition of such small molecules by a metalloenzyme active site. Foscarnet is also a clear-cut example of modulator of an enzyme activity which can act either as an activator or inhibitor of a CA isozyme.
-
'''X ray structure of the complex between Carbonic Anhydrase I and the phosphonate antiviral drug foscarnet'''
+
Phosph(on)ate as a zinc-binding group in metalloenzyme inhibitors: X-ray crystal structure of the antiviral drug foscarnet complexed to human carbonic anhydrase I.,Temperini C, Innocenti A, Guerri A, Scozzafava A, Rusconi S, Supuran CT Bioorg Med Chem Lett. 2007 Apr 15;17(8):2210-5. Epub 2007 Feb 8. PMID:17314045<ref>PMID:17314045</ref>
 +
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
 +
</div>
 +
<div class="pdbe-citations 2it4" style="background-color:#fffaf0;"></div>
-
==Overview==
+
==See Also==
-
Foscarnet (phosphonoformate trisodium salt), an antiviral used for the treatment of HIV and herpes virus infections, also acts as an activator or inhibitor of the metalloenzyme carbonic anhydrase (CA, EC 4.2.1.1). Interaction of the drug with 11 CA isozymes has been investigated kinetically, and the X-ray structure of its adduct with isoform I (hCA I-foscarnet complex) has been resolved. The first CA inhibitor possessing a phosphonate zinc-binding group is thus evidenced, together with the factors governing recognition of such small molecules by a metalloenzyme active site. Foscarnet is also a clear-cut example of modulator of an enzyme activity which can act either as an activator or inhibitor of a CA isozyme.
+
*[[Carbonic anhydrase 3D structures|Carbonic anhydrase 3D structures]]
-
 
+
== References ==
-
==About this Structure==
+
<references/>
-
2IT4 is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2IT4 OCA].
+
__TOC__
-
 
+
</StructureSection>
-
==Reference==
+
-
Phosph(on)ate as a zinc-binding group in metalloenzyme inhibitors: X-ray crystal structure of the antiviral drug foscarnet complexed to human carbonic anhydrase I., Temperini C, Innocenti A, Guerri A, Scozzafava A, Rusconi S, Supuran CT, Bioorg Med Chem Lett. 2007 Apr 15;17(8):2210-5. Epub 2007 Feb 8. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/17314045 17314045]
+
-
[[Category: Carbonate dehydratase]]
+
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
-
[[Category: Single protein]]
+
[[Category: Large Structures]]
-
[[Category: Guerri, A.]]
+
[[Category: Guerri A]]
-
[[Category: Innocenti, A.]]
+
[[Category: Innocenti A]]
-
[[Category: Scozzafava, A.]]
+
[[Category: Scozzafava A]]
-
[[Category: Supuran, C T.]]
+
[[Category: Supuran CT]]
-
[[Category: Temperini, C.]]
+
[[Category: Temperini C]]
-
[[Category: antiviral]]
+
-
[[Category: carbonic anhydrase]]
+
-
[[Category: crystal stucture]]
+
-
[[Category: lyase]]
+
-
 
+
-
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 03:48:13 2008''
+

Current revision

X ray structure of the complex between Carbonic Anhydrase I and the phosphonate antiviral drug foscarnet

PDB ID 2it4

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/2it4"
Personal tools