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1bil

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[[Image:1bil.jpg|left|200px]]<br /><applet load="1bil" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:1bil.jpg|left|200px]]
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caption="1bil, resolution 2.4&Aring;" />
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'''CRYSTALLOGRAPHIC STUDIES ON THE BINDING MODES OF P2-P3 BUTANEDIAMIDE RENIN INHIBITORS'''<br />
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{{Structure
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|PDB= 1bil |SIZE=350|CAPTION= <scene name='initialview01'>1bil</scene>, resolution 2.4&Aring;
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|SITE=
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|LIGAND= <scene name='pdbligand=DMF:DIMETHYLFORMAMIDE'>DMF</scene>, <scene name='pdbligand=PHC:N-METHYL-N-(METHYLBENZYL)FORMAMIDE'>PHC</scene>, <scene name='pdbligand=HII:2-METHYL-3-(2-AMINOTHIAZOLO)PROPANAL'>HII</scene> and <scene name='pdbligand=IP3:1-HYDROXY-3-METHYLBUTANE'>IP3</scene>
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|ACTIVITY=
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|GENE= CMV IE-HUMAN PREPRORENIN CDNA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
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}}
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'''CRYSTALLOGRAPHIC STUDIES ON THE BINDING MODES OF P2-P3 BUTANEDIAMIDE RENIN INHIBITORS'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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1BIL is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with <scene name='pdbligand=DMF:'>DMF</scene>, <scene name='pdbligand=PHC:'>PHC</scene>, <scene name='pdbligand=HII:'>HII</scene> and <scene name='pdbligand=IP3:'>IP3</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1BIL OCA].
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1BIL 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=1BIL OCA].
==Reference==
==Reference==
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Crystallographic studies on the binding modes of P2-P3 butanediamide renin inhibitors., Tong L, Pav S, Lamarre D, Simoneau B, Lavallee P, Jung G, J Biol Chem. 1995 Dec 8;270(49):29520-4. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=7493993 7493993]
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Crystallographic studies on the binding modes of P2-P3 butanediamide renin inhibitors., Tong L, Pav S, Lamarre D, Simoneau B, Lavallee P, Jung G, J Biol Chem. 1995 Dec 8;270(49):29520-4. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/7493993 7493993]
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
[[Category: Single protein]]
[[Category: Single protein]]
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[[Category: aspartic proteinase]]
[[Category: aspartic proteinase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 11:55:40 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 10:11:29 2008''

Revision as of 08:11, 20 March 2008

Image:1bil.jpg


PDB ID 1bil

Drag the structure with the mouse to rotate
, resolution 2.4Å
Ligands: , , and
Gene: CMV IE-HUMAN PREPRORENIN CDNA (Homo sapiens)
Coordinates: save as pdb, mmCIF, xml



CRYSTALLOGRAPHIC STUDIES ON THE BINDING MODES OF P2-P3 BUTANEDIAMIDE RENIN INHIBITORS


Contents

Overview

The binding modes of three peptidomimetic P2-P3 butanediamide renin inhibitors have been determined by x-ray crystallography. The inhibitors are bound with their backbones in an extended conformation, and their side chains occupying the S5 to S1' pockets. A (2-amino-4-thiazolyl)methyl side chain at the P2 position shows stronger hydrogen-bonding and van der Waals interactions with renin than the His side chain, which is present in the natural substrate. The ACHPA-gamma-lactam transition state analog has similar interactions with renin as the dihydroxyethylene transition state analog.

Disease

Known diseases associated with this structure: Hyperproreninemia OMIM:[179820], Renal tubular dysgenesis OMIM:[179820]

About this Structure

1BIL is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Crystallographic studies on the binding modes of P2-P3 butanediamide renin inhibitors., Tong L, Pav S, Lamarre D, Simoneau B, Lavallee P, Jung G, J Biol Chem. 1995 Dec 8;270(49):29520-4. PMID:7493993

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