6bdi: Difference between revisions

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'''Unreleased structure'''


The entry 6bdi is ON HOLD until Paper Publication
==Crystal structure of human CYP3A4 bound to an inhibitor==
 
<StructureSection load='6bdi' size='340' side='right' caption='[[6bdi]], [[Resolution|resolution]] 2.57&Aring;' scene=''>
Authors:  
== Structural highlights ==
 
<table><tr><td colspan='2'>[[6bdi]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6BDI OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6BDI FirstGlance]. <br>
Description:  
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=DEJ:tert-butyl+[(2S)-1-(1H-indol-3-yl)-3-{[(2R)-3-oxo-2-[(propan-2-yl)amino]-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate'>DEJ</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene></td></tr>
[[Category: Unreleased Structures]]
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[6bcz|6bcz]], [[6bd5|6bd5]], [[6bd6|6bd6]], [[6bd7|6bd7]], [[6bd8|6bd8]], [[6bdh|6bdh]], [[6bdk|6bdk]], [[6bdm|6bdm]]</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=6bdi FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6bdi OCA], [http://pdbe.org/6bdi PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6bdi RCSB], [http://www.ebi.ac.uk/pdbsum/6bdi PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6bdi 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: Sevrioukova, I]]
[[Category: Inhibitor]]
[[Category: Monooxygenase]]
[[Category: Oxidoreductase-oxidoreductase inhibitor complex]]

Revision as of 10:03, 13 December 2017

Crystal structure of human CYP3A4 bound to an inhibitorCrystal structure of human CYP3A4 bound to an inhibitor

Structural highlights

6bdi 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

6bdi, resolution 2.57Å

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