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5egm

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Current revision (06:26, 5 July 2023) (edit) (undo)
 
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==Development of a novel tricyclic class of potent and selective FIXa inhibitors==
==Development of a novel tricyclic class of potent and selective FIXa inhibitors==
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<StructureSection load='5egm' size='340' side='right' caption='[[5egm]], [[Resolution|resolution]] 1.84&Aring;' scene=''>
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<StructureSection load='5egm' size='340' side='right'caption='[[5egm]], [[Resolution|resolution]] 1.84&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[5egm]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5EGM OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5EGM FirstGlance]. <br>
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<table><tr><td colspan='2'>[[5egm]] is a 2 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=5EGM OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5EGM FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=5NY:2-CHLORANYL-~{N}-[(7~{S})-2-METHYL-7-PHENYL-10-(1~{H}-1,2,3,4-TETRAZOL-5-YL)-8,9-DIHYDRO-6~{H}-PYRIDO[1,2-A]INDOL-7-YL]-4-(1,2,4-TRIAZOL-4-YL)BENZAMIDE'>5NY</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=NHE:2-[N-CYCLOHEXYLAMINO]ETHANE+SULFONIC+ACID'>NHE</scene></td></tr>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.841&#8491;</td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">F9 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=5NY:2-CHLORANYL-~{N}-[(7~{S})-2-METHYL-7-PHENYL-10-(1~{H}-1,2,3,4-TETRAZOL-5-YL)-8,9-DIHYDRO-6~{H}-PYRIDO[1,2-A]INDOL-7-YL]-4-(1,2,4-TRIAZOL-4-YL)BENZAMIDE'>5NY</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=NHE:2-[N-CYCLOHEXYLAMINO]ETHANE+SULFONIC+ACID'>NHE</scene></td></tr>
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<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Coagulation_factor_IXa Coagulation factor IXa], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.22 3.4.21.22] </span></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=5egm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5egm OCA], [https://pdbe.org/5egm PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5egm RCSB], [https://www.ebi.ac.uk/pdbsum/5egm PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5egm ProSAT]</span></td></tr>
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<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=5egm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5egm OCA], [http://pdbe.org/5egm PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5egm RCSB], [http://www.ebi.ac.uk/pdbsum/5egm PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5egm ProSAT]</span></td></tr>
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</table>
</table>
== Disease ==
== Disease ==
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[[http://www.uniprot.org/uniprot/FA9_HUMAN FA9_HUMAN]] Defects in F9 are the cause of recessive X-linked hemophilia B (HEMB) [MIM:[http://omim.org/entry/306900 306900]]; also known as Christmas disease.<ref>PMID:8295821</ref> <ref>PMID:2592373</ref> <ref>PMID:2743975</ref> <ref>PMID:6603618</ref> <ref>PMID:3009023</ref> <ref>PMID:3790720</ref> <ref>PMID:3401602</ref> <ref>PMID:3243764</ref> <ref>PMID:2713493</ref> <ref>PMID:2714791</ref> <ref>PMID:2773937</ref> <ref>PMID:2775660</ref> <ref>PMID:2753873</ref> <ref>PMID:2738071</ref> <ref>PMID:2472424</ref> <ref>PMID:2339358</ref> <ref>PMID:2372509</ref> <ref>PMID:2162822</ref> <ref>PMID:1958666</ref> <ref>PMID:1902289</ref> <ref>PMID:1346975</ref> <ref>PMID:1615485</ref> <ref>PMID:8257988</ref> <ref>PMID:8076946</ref> <ref>PMID:8199596</ref> <ref>PMID:7981722</ref> <ref>PMID:8680410</ref> <ref>PMID:9222764</ref> <ref>PMID:9590153</ref> <ref>PMID:9452115</ref> <ref>PMID:9600455</ref> <ref>PMID:10698280</ref> <ref>PMID:10094553</ref> <ref>PMID:11122099</ref> <ref>PMID:12588353</ref> <ref>PMID:12604421</ref> Note=Mutations in position 43 (Oxford-3, San Dimas) and 46 (Cambridge) prevents cleavage of the propeptide, mutation in position 93 (Alabama) probably fails to bind to cell membranes, mutation in position 191 (Chapel-Hill) or in position 226 (Nagoya OR Hilo) prevent cleavage of the activation peptide. Defects in F9 are the cause of thrombophilia due to factor IX defect (THPH8) [MIM:[http://omim.org/entry/300807 300807]]. A hemostatic disorder characterized by a tendency to thrombosis.<ref>PMID:19846852</ref>
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[https://www.uniprot.org/uniprot/FA9_HUMAN FA9_HUMAN] Defects in F9 are the cause of recessive X-linked hemophilia B (HEMB) [MIM:[https://omim.org/entry/306900 306900]; also known as Christmas disease.<ref>PMID:8295821</ref> <ref>PMID:2592373</ref> <ref>PMID:2743975</ref> <ref>PMID:6603618</ref> <ref>PMID:3009023</ref> <ref>PMID:3790720</ref> <ref>PMID:3401602</ref> <ref>PMID:3243764</ref> <ref>PMID:2713493</ref> <ref>PMID:2714791</ref> <ref>PMID:2773937</ref> <ref>PMID:2775660</ref> <ref>PMID:2753873</ref> <ref>PMID:2738071</ref> <ref>PMID:2472424</ref> <ref>PMID:2339358</ref> <ref>PMID:2372509</ref> <ref>PMID:2162822</ref> <ref>PMID:1958666</ref> <ref>PMID:1902289</ref> <ref>PMID:1346975</ref> <ref>PMID:1615485</ref> <ref>PMID:8257988</ref> <ref>PMID:8076946</ref> <ref>PMID:8199596</ref> <ref>PMID:7981722</ref> <ref>PMID:8680410</ref> <ref>PMID:9222764</ref> <ref>PMID:9590153</ref> <ref>PMID:9452115</ref> <ref>PMID:9600455</ref> <ref>PMID:10698280</ref> <ref>PMID:10094553</ref> <ref>PMID:11122099</ref> <ref>PMID:12588353</ref> <ref>PMID:12604421</ref> Note=Mutations in position 43 (Oxford-3, San Dimas) and 46 (Cambridge) prevents cleavage of the propeptide, mutation in position 93 (Alabama) probably fails to bind to cell membranes, mutation in position 191 (Chapel-Hill) or in position 226 (Nagoya OR Hilo) prevent cleavage of the activation peptide. Defects in F9 are the cause of thrombophilia due to factor IX defect (THPH8) [MIM:[https://omim.org/entry/300807 300807]. A hemostatic disorder characterized by a tendency to thrombosis.<ref>PMID:19846852</ref>
== Function ==
== Function ==
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[[http://www.uniprot.org/uniprot/FA9_HUMAN FA9_HUMAN]] Factor IX is a vitamin K-dependent plasma protein that participates in the intrinsic pathway of blood coagulation by converting factor X to its active form in the presence of Ca(2+) ions, phospholipids, and factor VIIIa.
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[https://www.uniprot.org/uniprot/FA9_HUMAN FA9_HUMAN] Factor IX is a vitamin K-dependent plasma protein that participates in the intrinsic pathway of blood coagulation by converting factor X to its active form in the presence of Ca(2+) ions, phospholipids, and factor VIIIa.
<div style="background-color:#fffaf0;">
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
== Publication Abstract from PubMed ==
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</div>
</div>
<div class="pdbe-citations 5egm" style="background-color:#fffaf0;"></div>
<div class="pdbe-citations 5egm" style="background-color:#fffaf0;"></div>
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==See Also==
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*[[Factor IX 3D structures|Factor IX 3D structures]]
== References ==
== References ==
<references/>
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Coagulation factor IXa]]
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[[Category: Homo sapiens]]
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[[Category: Human]]
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[[Category: Large Structures]]
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[[Category: Andre, P]]
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[[Category: Andre P]]
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[[Category: Araki, K]]
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[[Category: Araki K]]
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[[Category: Bateman, T J]]
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[[Category: Bateman TJ]]
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[[Category: Berger, R]]
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[[Category: Berger R]]
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[[Category: Campeau, L]]
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[[Category: Campeau L]]
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[[Category: Chen, Y]]
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[[Category: Chen Y]]
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[[Category: Desai, K]]
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[[Category: Desai K]]
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[[Category: Dewnani, S]]
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[[Category: Dewnani S]]
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[[Category: Ellsworth, K]]
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[[Category: Ellsworth K]]
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[[Category: Feng, D]]
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[[Category: Feng D]]
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[[Category: Geissler, W M]]
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[[Category: Geissler WM]]
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[[Category: Guo, L]]
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[[Category: Guo L]]
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[[Category: Hirabayashi, T]]
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[[Category: Hirabayashi T]]
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[[Category: Hruza, A]]
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[[Category: Hruza A]]
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[[Category: Jian, T]]
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[[Category: Jian T]]
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[[Category: Li, H]]
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[[Category: Li H]]
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[[Category: McCabe-Dunn, j]]
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[[Category: McCabe-Dunn j]]
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[[Category: Meng, D]]
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[[Category: Meng D]]
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[[Category: Nishimura, T]]
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[[Category: Nishimura T]]
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[[Category: Orr, R]]
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[[Category: Orr R]]
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[[Category: Parker, D L]]
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[[Category: Parker DL]]
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[[Category: Poirier, M]]
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[[Category: Poirier M]]
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[[Category: Reichert, P]]
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[[Category: Reichert P]]
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[[Category: Sakurada, I]]
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[[Category: Sakurada I]]
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[[Category: Sherer, E C]]
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[[Category: Sherer EC]]
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[[Category: Smith, C J]]
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[[Category: Smith CJ]]
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[[Category: Sonatore, L M]]
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[[Category: Sonatore LM]]
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[[Category: Tschirret-Guth, R]]
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[[Category: Tschirret-Guth R]]
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[[Category: Wood, H B]]
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[[Category: Wood HB]]
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[[Category: Wu, J]]
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[[Category: Wu J]]
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[[Category: Xu, J]]
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[[Category: Xu J]]
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[[Category: Zhang, T]]
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[[Category: Zhang T]]
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[[Category: Blood coagulation]]
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[[Category: Coagulation factor]]
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[[Category: Hydrolase-2 hydrolase inhibitor complex]]
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[[Category: Hydrolase-hydrolase inhibitor complex]]
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[[Category: Serine proteinase]]
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Current revision

Development of a novel tricyclic class of potent and selective FIXa inhibitors

PDB ID 5egm

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