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1qrp

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Revision as of 10:02, 15 September 2021

Human pepsin 3A in complex with a phosphonate inhibitor IVA-VAL-VAL-LEU(P)-(O)PHE-ALA-ALA-OME

Structural highlights

1qrp is a 1 chain structure with sequence from Homo sapiens. 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

Evolutionary Conservation

Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf.

Publication Abstract from PubMed

The refined crystal structure of the complex between human pepsin and a synthetic phosphonate inhibitor, Iva-Val-Val-Leu(P)-(O)Phe-Ala-Ala-OMe [Iva = isovaleryl, Leu(P) = the phosphinic acid analog of L-leucine, (O)Phe = L-3-phenyllactic acid, OMe = methyl ester], is presented. The structure was refined using diffraction data between 30 and 1.96 A resolution to a final R factor ( summation operator| |F(o)| - |F(c)| | / summation operator|F(o)|, where |F(o)| and |F(c)| are the observed and calculated structure-factor amplitudes, respectively) of 20.0%. The interactions of the inhibitor with the enzyme show the locations of the binding sites on the enzyme from S4 to S3'. Modeling of the inhibitor binding to porcine pepsin shows very similar binding sites, except at S4. Comparison of the complex structure with the structures of related inhibitors bound to penicillopepsin helps to rationalize the observed differences in the binding constants. The convergence of reaction mechanisms and geometries in different families of proteinases is also discussed.

Structural study of the complex between human pepsin and a phosphorus-containing peptidic -transition-state analog.,Fujinaga M, Cherney MM, Tarasova NI, Bartlett PA, Hanson JE, James MN Acta Crystallogr D Biol Crystallogr. 2000 Mar;56(Pt 3):272-9. PMID:10713513^[1]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

References

↑ Fujinaga M, Cherney MM, Tarasova NI, Bartlett PA, Hanson JE, James MN. Structural study of the complex between human pepsin and a phosphorus-containing peptidic -transition-state analog. Acta Crystallogr D Biol Crystallogr. 2000 Mar;56(Pt 3):272-9. PMID:10713513

1 Structural highlights
2 Evolutionary Conservation
3 Publication Abstract from PubMed
4 See Also
5 References

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/1qrp"

@@ Line 3: / Line 3: @@
 <StructureSection load='1qrp' size='340' side='right'caption='[[1qrp]], [[Resolution|resolution]] 1.96&Aring;' scene=''>
 == Structural highlights ==
-<table><tr><td colspan='2'>[[1qrp]] is a 1 chain structure with 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=1QRP OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1QRP FirstGlance]. <br>
+<table><tr><td colspan='2'>[[1qrp]] 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=1QRP OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1QRP FirstGlance]. <br>
-</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=HH0:METHYL+N-[(2S)-2-({(S)-HYDROXY[(1R)-3-METHYL-1-{[N-(3-METHYLBUTANOYL)-L-VALYL-L-VALYL]AMINO}BUTYL]PHOSPHORYL}OXY)-3-PHENYLPROPANOYL]-L-ALANYL-L-ALANINATE'>HH0</scene></td></tr>
+</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=HH0:METHYL+N-[(2S)-2-({(S)-HYDROXY[(1R)-3-METHYL-1-{[N-(3-METHYLBUTANOYL)-L-VALYL-L-VALYL]AMINO}BUTYL]PHOSPHORYL}OXY)-3-PHENYLPROPANOYL]-L-ALANYL-L-ALANINATE'>HH0</scene></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=1qrp FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1qrp OCA], [http://pdbe.org/1qrp PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1qrp RCSB], [http://www.ebi.ac.uk/pdbsum/1qrp PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=1qrp ProSAT]</span></td></tr>
+<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1qrp FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1qrp OCA], [https://pdbe.org/1qrp PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1qrp RCSB], [https://www.ebi.ac.uk/pdbsum/1qrp PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1qrp ProSAT]</span></td></tr>
 </table>
 == Evolutionary Conservation ==

1qrp

From Proteopedia

Revision as of 10:02, 15 September 2021

Human pepsin 3A in complex with a phosphonate inhibitor IVA-VAL-VAL-LEU(P)-(O)PHE-ALA-ALA-OME

Structural highlights

Evolutionary Conservation

Publication Abstract from PubMed

See Also

References

Contents

Proteopedia Page Contributors and Editors (what is this?)

Views

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