6unl: Difference between revisions

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'''Unreleased structure'''


The entry 6unl is ON HOLD  until Paper Publication
==CYP3A4 bound to an inhibitor==
 
<StructureSection load='6unl' size='340' side='right'caption='[[6unl]], [[Resolution|resolution]] 2.55&Aring;' scene=''>
Authors: Sevrioukova, I.
== Structural highlights ==
 
<table><tr><td colspan='2'>[[6unl]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6UNL OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6UNL FirstGlance]. <br>
Description: CYP3A4 bound to an inhibitor
</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=QDJ:tert-butyl+[(2R)-1-(naphthalen-1-yl)-3-{[(2S)-3-(naphthalen-1-yl)-1-oxo-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate'>QDJ</scene></td></tr>
[[Category: Unreleased Structures]]
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[6une|6une]], [[6ung|6ung]], [[6unh|6unh]], [[6uni|6uni]], [[6unj|6unj]], [[6unk|6unk]]</td></tr>
<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=6unl FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6unl OCA], [http://pdbe.org/6unl PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6unl RCSB], [http://www.ebi.ac.uk/pdbsum/6unl PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6unl ProSAT]</span></td></tr>
</table>
== Function ==
[[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> 
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Sevrioukova, I]]
[[Category: Sevrioukova, I]]
[[Category: Complex]]
[[Category: Cyp3a4]]
[[Category: Inhibitor]]
[[Category: Oxidoreductase]]
[[Category: Oxidoreductase-oxidoreductase inhibitor complex]]

Revision as of 11:13, 5 February 2020

CYP3A4 bound to an inhibitorCYP3A4 bound to an inhibitor

Structural highlights

6unl is a 1 chain structure. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Ligands:,
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

[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.[1]

References

  1. ↑ Miyazawa M, Shindo M, Shimada T. Oxidation of 1,8-cineole, the monoterpene cyclic ether originated from eucalyptus polybractea, by cytochrome P450 3A enzymes in rat and human liver microsomes. Drug Metab Dispos. 2001 Feb;29(2):200-5. PMID:11159812

6unl, resolution 2.55Å

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