2j95: Difference between revisions
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== Structural highlights == | == Structural highlights == | ||
<table><tr><td colspan='2'>[[2j95]] is a 2 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=2J95 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2J95 FirstGlance]. <br> | <table><tr><td colspan='2'>[[2j95]] is a 2 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=2J95 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2J95 FirstGlance]. <br> | ||
</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=GSX:5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-2,2-BITHIOPHENE-5-SULFONAMIDE'>GSX</scene>< | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=GSX:5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-2,2-BITHIOPHENE-5-SULFONAMIDE'>GSX</scene></td></tr> | ||
<tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1c5m|1c5m]], [[1ezq|1ezq]], [[1f0r|1f0r]], [[1f0s|1f0s]], [[1fax|1fax]], [[1fjs|1fjs]], [[1fxy|1fxy]], [[1g2l|1g2l]], [[1g2m|1g2m]], [[1hcg|1hcg]], [[1ioe|1ioe]], [[1iqe|1iqe]], [[1iqf|1iqf]], [[1iqg|1iqg]], [[1iqh|1iqh]], [[1iqi|1iqi]], [[1iqj|1iqj]], [[1iqk|1iqk]], [[1iql|1iql]], [[1iqm|1iqm]], [[1iqn|1iqn]], [[1ksn|1ksn]], [[1kye|1kye]], [[1lpg|1lpg]], [[1lpk|1lpk]], [[1lpz|1lpz]], [[1lqd|1lqd]], [[1mq5|1mq5]], [[1mq6|1mq6]], [[1msx|1msx]], [[1nfu|1nfu]], [[1nfw|1nfw]], [[1nfx|1nfx]], [[1nfy|1nfy]], [[1nl8|1nl8]], [[1p0s|1p0s]], [[1v3x|1v3x]], [[1wu1|1wu1]], [[1xka|1xka]], [[1xkb|1xkb]], [[1z6e|1z6e]], [[2bmg|2bmg]], [[2boh|2boh]], [[2bok|2bok]], [[2bq6|2bq6]], [[2bq7|2bq7]], [[2bqw|2bqw]], [[2cji|2cji]], [[2fzz|2fzz]], [[2g00|2g00]], [[2gd4|2gd4]], [[2j2u|2j2u]], [[2j34|2j34]], [[2j38|2j38]], [[2j4i|2j4i]], [[2j94|2j94]]</td></tr> | <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1c5m|1c5m]], [[1ezq|1ezq]], [[1f0r|1f0r]], [[1f0s|1f0s]], [[1fax|1fax]], [[1fjs|1fjs]], [[1fxy|1fxy]], [[1g2l|1g2l]], [[1g2m|1g2m]], [[1hcg|1hcg]], [[1ioe|1ioe]], [[1iqe|1iqe]], [[1iqf|1iqf]], [[1iqg|1iqg]], [[1iqh|1iqh]], [[1iqi|1iqi]], [[1iqj|1iqj]], [[1iqk|1iqk]], [[1iql|1iql]], [[1iqm|1iqm]], [[1iqn|1iqn]], [[1ksn|1ksn]], [[1kye|1kye]], [[1lpg|1lpg]], [[1lpk|1lpk]], [[1lpz|1lpz]], [[1lqd|1lqd]], [[1mq5|1mq5]], [[1mq6|1mq6]], [[1msx|1msx]], [[1nfu|1nfu]], [[1nfw|1nfw]], [[1nfx|1nfx]], [[1nfy|1nfy]], [[1nl8|1nl8]], [[1p0s|1p0s]], [[1v3x|1v3x]], [[1wu1|1wu1]], [[1xka|1xka]], [[1xkb|1xkb]], [[1z6e|1z6e]], [[2bmg|2bmg]], [[2boh|2boh]], [[2bok|2bok]], [[2bq6|2bq6]], [[2bq7|2bq7]], [[2bqw|2bqw]], [[2cji|2cji]], [[2fzz|2fzz]], [[2g00|2g00]], [[2gd4|2gd4]], [[2j2u|2j2u]], [[2j34|2j34]], [[2j38|2j38]], [[2j4i|2j4i]], [[2j94|2j94]]</td></tr> | ||
<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Coagulation_factor_Xa Coagulation factor Xa], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.6 3.4.21.6] </span></td></tr> | <tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Coagulation_factor_Xa Coagulation factor Xa], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.6 3.4.21.6] </span></td></tr> | ||
<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2j95 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2j95 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2j95 RCSB], [http://www.ebi.ac.uk/pdbsum/2j95 PDBsum]</span></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=2j95 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2j95 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2j95 RCSB], [http://www.ebi.ac.uk/pdbsum/2j95 PDBsum]</span></td></tr> | ||
<table> | </table> | ||
== Disease == | == Disease == | ||
[[http://www.uniprot.org/uniprot/FA10_HUMAN FA10_HUMAN]] Defects in F10 are the cause of factor X deficiency (FA10D) [MIM:[http://omim.org/entry/227600 227600]]. A hemorrhagic disease with variable presentation. Affected individuals can manifest prolonged nasal and mucosal hemorrhage, menorrhagia, hematuria, and occasionally hemarthrosis. Some patients do not have clinical bleeding diathesis.<ref>PMID:2790181</ref> <ref>PMID:1973167</ref> <ref>PMID:1985698</ref> <ref>PMID:7669671</ref> <ref>PMID:8529633</ref> <ref>PMID:7860069</ref> <ref>PMID:8845463</ref> <ref>PMID:8910490</ref> <ref>PMID:10468877</ref> <ref>PMID:10746568</ref> <ref>PMID:10739379</ref> <ref>PMID:11248282</ref> <ref>PMID:11728527</ref> <ref>PMID:12945883</ref> <ref>PMID:15650540</ref> <ref>PMID:17393015</ref> <ref>PMID:19135706</ref> | [[http://www.uniprot.org/uniprot/FA10_HUMAN FA10_HUMAN]] Defects in F10 are the cause of factor X deficiency (FA10D) [MIM:[http://omim.org/entry/227600 227600]]. A hemorrhagic disease with variable presentation. Affected individuals can manifest prolonged nasal and mucosal hemorrhage, menorrhagia, hematuria, and occasionally hemarthrosis. Some patients do not have clinical bleeding diathesis.<ref>PMID:2790181</ref> <ref>PMID:1973167</ref> <ref>PMID:1985698</ref> <ref>PMID:7669671</ref> <ref>PMID:8529633</ref> <ref>PMID:7860069</ref> <ref>PMID:8845463</ref> <ref>PMID:8910490</ref> <ref>PMID:10468877</ref> <ref>PMID:10746568</ref> <ref>PMID:10739379</ref> <ref>PMID:11248282</ref> <ref>PMID:11728527</ref> <ref>PMID:12945883</ref> <ref>PMID:15650540</ref> <ref>PMID:17393015</ref> <ref>PMID:19135706</ref> | ||
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[[Category: Coagulation factor Xa]] | [[Category: Coagulation factor Xa]] | ||
[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
[[Category: Borthwick, A D | [[Category: Borthwick, A D]] | ||
[[Category: Brown, D | [[Category: Brown, D]] | ||
[[Category: Burns-Kurtis, C L | [[Category: Burns-Kurtis, C L]] | ||
[[Category: Campbell, M | [[Category: Campbell, M]] | ||
[[Category: Chan, C | [[Category: Chan, C]] | ||
[[Category: Chaudry, L | [[Category: Chaudry, L]] | ||
[[Category: Chung, C W | [[Category: Chung, C W]] | ||
[[Category: Convery, M A | [[Category: Convery, M A]] | ||
[[Category: Hamblin, J N | [[Category: Hamblin, J N]] | ||
[[Category: Johnstone, L | [[Category: Johnstone, L]] | ||
[[Category: Kelly, H A | [[Category: Kelly, H A]] | ||
[[Category: Kleanthous, S | [[Category: Kleanthous, S]] | ||
[[Category: Patel, C | [[Category: Patel, C]] | ||
[[Category: Pateman, A J | [[Category: Pateman, A J]] | ||
[[Category: Patikis, A | [[Category: Patikis, A]] | ||
[[Category: Senger, S | [[Category: Senger, S]] | ||
[[Category: Shah, G P | [[Category: Shah, G P]] | ||
[[Category: Toomey, J R | [[Category: Toomey, J R]] | ||
[[Category: Watson, N S | [[Category: Watson, N S]] | ||
[[Category: Weston, H E | [[Category: Weston, H E]] | ||
[[Category: Whitworth, C | [[Category: Whitworth, C]] | ||
[[Category: Young, R J | [[Category: Young, R J]] | ||
[[Category: Zhou, P | [[Category: Zhou, P]] | ||
[[Category: Blood coagulation]] | [[Category: Blood coagulation]] | ||
[[Category: Complex]] | [[Category: Complex]] |
Revision as of 20:22, 19 January 2015
CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEXCRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX
Structural highlights
Disease[FA10_HUMAN] Defects in F10 are the cause of factor X deficiency (FA10D) [MIM:227600]. A hemorrhagic disease with variable presentation. Affected individuals can manifest prolonged nasal and mucosal hemorrhage, menorrhagia, hematuria, and occasionally hemarthrosis. Some patients do not have clinical bleeding diathesis.[1] [2] [3] [4] [5] [6] [7] [8] [9] [10] [11] [12] [13] [14] [15] [16] [17] Function[FA10_HUMAN] Factor Xa is a vitamin K-dependent glycoprotein that converts prothrombin to thrombin in the presence of factor Va, calcium and phospholipid during blood clotting. 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 PubMedFactor Xa inhibitory activities for a series of N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl }sulfonamides with different P1 groups are described. These data provide insight into binding interactions within the S1 primary specificity pocket; rationales are presented for the derived SAR on the basis of electronic interactions through crystal structures of fXa-ligand complexes and molecular modeling studies. A good correlation between in vitro anticoagulant activities with lipophilicity and the extent of human serum albumin binding is observed within this series of potent fXa inhibitors. Pharmacokinetic profiles in rat and dog, together with selectivity over other trypsin-like serine proteases, identified 1f as a candidate for further evaluation. Factor Xa inhibitors: S1 binding interactions of a series of N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl }sulfonamides.,Chan C, Borthwick AD, Brown D, Burns-Kurtis CL, Campbell M, Chaudry L, Chung CW, Convery MA, Hamblin JN, Johnstone L, Kelly HA, Kleanthous S, Patikis A, Patel C, Pateman AJ, Senger S, Shah GP, Toomey JR, Watson NS, Weston HE, Whitworth C, Young RJ, Zhou P J Med Chem. 2007 Apr 5;50(7):1546-57. Epub 2007 Mar 6. PMID:17338508[18] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See AlsoReferences
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Proteopedia Page Contributors and Editors (what is this?)Proteopedia Page Contributors and Editors (what is this?)
OCA- Coagulation factor Xa
- Homo sapiens
- Borthwick, A D
- Brown, D
- Burns-Kurtis, C L
- Campbell, M
- Chan, C
- Chaudry, L
- Chung, C W
- Convery, M A
- Hamblin, J N
- Johnstone, L
- Kelly, H A
- Kleanthous, S
- Patel, C
- Pateman, A J
- Patikis, A
- Senger, S
- Shah, G P
- Toomey, J R
- Watson, N S
- Weston, H E
- Whitworth, C
- Young, R J
- Zhou, P
- Blood coagulation
- Complex
- Egf-like domain
- Gamma- carboxyglutamic acid
- Glycoprotein
- Hydrolase
- Hydroxylation
- Protease
- Serine protease
- Zymogen