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4i4g

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==Crystal structure of CYP3A4 ligated to oxazole-substituted desoxyritonavir==
==Crystal structure of CYP3A4 ligated to oxazole-substituted desoxyritonavir==
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<StructureSection load='4i4g' size='340' side='right' caption='[[4i4g]], [[Resolution|resolution]] 2.72&Aring;' scene=''>
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<StructureSection load='4i4g' size='340' side='right'caption='[[4i4g]], [[Resolution|resolution]] 2.72&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[4i4g]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4I4G OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4I4G FirstGlance]. <br>
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<table><tr><td colspan='2'>[[4i4g]] is a 1 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=4I4G OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4I4G FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=Z8Z:N~2~-(METHYL{[2-(PROPAN-2-YL)-1,3-THIAZOL-4-YL]METHYL}CARBAMOYL)-N-[(2R,5R)-5-{[(1,3-OXAZOL-5-YLMETHOXY)CARBONYL]AMINO}-1,6-DIPHENYLHEXAN-2-YL]-L-VALINAMIDE'>Z8Z</scene></td></tr>
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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]] 2.718&#8491;</td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3nxu|3nxu]]</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=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=Z8Z:N~2~-(METHYL{[2-(PROPAN-2-YL)-1,3-THIAZOL-4-YL]METHYL}CARBAMOYL)-N-[(2R,5R)-5-{[(1,3-OXAZOL-5-YLMETHOXY)CARBONYL]AMINO}-1,6-DIPHENYLHEXAN-2-YL]-L-VALINAMIDE'>Z8Z</scene></td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">CYP3A4, CYP3A3 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</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=4i4g FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4i4g OCA], [https://pdbe.org/4i4g PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4i4g RCSB], [https://www.ebi.ac.uk/pdbsum/4i4g PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4i4g ProSAT]</span></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4i4g FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4i4g OCA], [http://pdbe.org/4i4g PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4i4g RCSB], [http://www.ebi.ac.uk/pdbsum/4i4g PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4i4g ProSAT]</span></td></tr>
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</table>
</table>
== Function ==
== Function ==
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[[http://www.uniprot.org/uniprot/CP3A4_HUMAN CP3A4_HUMAN]] Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It performs a variety of oxidation reactions (e.g. caffeine 8-oxidation, omeprazole sulphoxidation, midazolam 1'-hydroxylation and midazolam 4-hydroxylation) of structurally unrelated compounds, including steroids, fatty acids, and xenobiotics. Acts as a 1,8-cineole 2-exo-monooxygenase. The enzyme also hydroxylates etoposide.<ref>PMID:11159812</ref>
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[https://www.uniprot.org/uniprot/CP3A4_HUMAN CP3A4_HUMAN] Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It performs a variety of oxidation reactions (e.g. caffeine 8-oxidation, omeprazole sulphoxidation, midazolam 1'-hydroxylation and midazolam 4-hydroxylation) of structurally unrelated compounds, including steroids, fatty acids, and xenobiotics. Acts as a 1,8-cineole 2-exo-monooxygenase. The enzyme also hydroxylates etoposide.<ref>PMID:11159812</ref>
<div style="background-color:#fffaf0;">
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
== Publication Abstract from PubMed ==
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==See Also==
==See Also==
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*[[Cytochrome P450|Cytochrome P450]]
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*[[Cytochrome P450 3D structures|Cytochrome P450 3D structures]]
== References ==
== References ==
<references/>
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Human]]
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[[Category: Homo sapiens]]
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[[Category: Poulos, T L]]
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[[Category: Large Structures]]
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[[Category: Sevrioukova, I F]]
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[[Category: Poulos TL]]
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[[Category: Cytochrome b5]]
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[[Category: Sevrioukova IF]]
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[[Category: Cytochrome p450]]
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[[Category: Cytochrome p450 reductase]]
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[[Category: Endoplasmic reticulum]]
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[[Category: Monooxygenase]]
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[[Category: Oxidoreductase-oxidoreductase inhibitor complex]]
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Current revision

Crystal structure of CYP3A4 ligated to oxazole-substituted desoxyritonavir

PDB ID 4i4g

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