5tjx
From Proteopedia
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==Structure of human plasma kallikrein== | ==Structure of human plasma kallikrein== | ||
| - | <StructureSection load='5tjx' size='340' side='right' caption='[[5tjx]], [[Resolution|resolution]] 1.41Å' scene=''> | + | <StructureSection load='5tjx' size='340' side='right'caption='[[5tjx]], [[Resolution|resolution]] 1.41Å' scene=''> |
== Structural highlights == | == Structural highlights == | ||
| - | <table><tr><td colspan='2'>[[5tjx]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5TJX OCA]. For a <b>guided tour on the structure components</b> use [ | + | <table><tr><td colspan='2'>[[5tjx]] 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=5TJX OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5TJX FirstGlance]. <br> |
| - | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GBT:(8E)-3-AMINO-1-METHYL-15-[(1H-PYRAZOL-1-YL)METHYL]-7,10,11,12,24,25-HEXAHYDRO-6H,18H,23H-19,22-(METHENO)PYRIDO[4,3-J][1,9,13,17,18]BENZODIOXATRIAZACYCLOHENICOSIN-23-ONE'>GBT</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene | + | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.408Å</td></tr> |
| - | + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GBT:(8E)-3-AMINO-1-METHYL-15-[(1H-PYRAZOL-1-YL)METHYL]-7,10,11,12,24,25-HEXAHYDRO-6H,18H,23H-19,22-(METHENO)PYRIDO[4,3-J][1,9,13,17,18]BENZODIOXATRIAZACYCLOHENICOSIN-23-ONE'>GBT</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr> | |
| - | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[ | + | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=5tjx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5tjx OCA], [https://pdbe.org/5tjx PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5tjx RCSB], [https://www.ebi.ac.uk/pdbsum/5tjx PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5tjx ProSAT]</span></td></tr> |
</table> | </table> | ||
== Disease == | == Disease == | ||
| - | [ | + | [https://www.uniprot.org/uniprot/KLKB1_HUMAN KLKB1_HUMAN] Defects in KLKB1 are the cause of prekallikrein deficiency (PKK deficiency) [MIM:[https://omim.org/entry/612423 612423]; also known as Fletcher factor deficiency. This disorder is a blood coagulation defect. |
== Function == | == Function == | ||
| - | [ | + | [https://www.uniprot.org/uniprot/KLKB1_HUMAN KLKB1_HUMAN] The enzyme cleaves Lys-Arg and Arg-Ser bonds. It activates, in a reciprocal reaction, factor XII after its binding to a negatively charged surface. It also releases bradykinin from HMW kininogen and may also play a role in the renin-angiotensin system by converting prorenin into renin. |
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | A series of macrocyclic analogues were designed and synthesized based on the cocrystal structure of small molecule plasma kallikrein (pKal) inhibitor, 2, with the pKal protease domain. This led to the discovery of a potent macrocyclic pKal inhibitor 29, with an IC50 of 2 nM for one olefinic isomer and 42.3 nM for the other olefinic isomer. | ||
| + | |||
| + | Structure-Guided Design of Novel, Potent, and Selective Macrocyclic Plasma Kallikrein Inhibitors.,Li Z, Partridge J, Silva-Garcia A, Rademacher P, Betz A, Xu Q, Sham H, Hu Y, Shan Y, Liu B, Zhang Y, Shi H, Xu Q, Ma X, Zhang L ACS Med Chem Lett. 2016 Dec 6;8(2):185-190. doi: 10.1021/acsmedchemlett.6b00384. , eCollection 2017 Feb 9. PMID:28197309<ref>PMID:28197309</ref> | ||
| + | |||
| + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
| + | </div> | ||
| + | <div class="pdbe-citations 5tjx" style="background-color:#fffaf0;"></div> | ||
| + | |||
| + | ==See Also== | ||
| + | *[[Kallikrein 3D structures|Kallikrein 3D structures]] | ||
| + | == References == | ||
| + | <references/> | ||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
| - | [[Category: | + | [[Category: Homo sapiens]] |
| - | [[Category: | + | [[Category: Large Structures]] |
| - | [[Category: | + | [[Category: Choy RM]] |
| - | [[Category: | + | [[Category: Li Z]] |
| - | [[Category: | + | [[Category: Partridge JR]] |
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Current revision
Structure of human plasma kallikrein
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