2bdy: Difference between revisions
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[[Image:2bdy.jpg|left|200px]] | [[Image:2bdy.jpg|left|200px]] | ||
'''thrombin in complex with inhibitor''' | {{Structure | ||
|PDB= 2bdy |SIZE=350|CAPTION= <scene name='initialview01'>2bdy</scene>, resolution 1.610Å | |||
|SITE= | |||
|LIGAND= <scene name='pdbligand=NA:SODIUM+ION'>NA</scene> and <scene name='pdbligand=UNB:N-(4-CARBAMIMIDOYL-BENZYL)-2-[2-HYDROXY-6-METHYL-3-(NAPHTHALENE-1-SULFONYLAMINO)-PHENYL]-ACETAMIDE'>UNB</scene> | |||
|ACTIVITY= [http://en.wikipedia.org/wiki/Thrombin Thrombin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.5 3.4.21.5] | |||
|GENE= | |||
}} | |||
'''thrombin in complex with inhibitor''' | |||
==Overview== | ==Overview== | ||
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==About this Structure== | ==About this Structure== | ||
2BDY is a [ | 2BDY is a [[Protein complex]] structure of sequences 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=2BDY OCA]. | ||
==Reference== | ==Reference== | ||
Phenolic P2/P3 core motif as thrombin inhibitors--design, synthesis, and X-ray co-crystal structure., Hanessian S, Therrien E, van Otterlo WA, Bayrakdarian M, Nilsson I, Fjellstrom O, Xue Y, Bioorg Med Chem Lett. 2006 Feb 15;16(4):1032-6. Epub 2005 Nov 15. PMID:[http:// | Phenolic P2/P3 core motif as thrombin inhibitors--design, synthesis, and X-ray co-crystal structure., Hanessian S, Therrien E, van Otterlo WA, Bayrakdarian M, Nilsson I, Fjellstrom O, Xue Y, Bioorg Med Chem Lett. 2006 Feb 15;16(4):1032-6. Epub 2005 Nov 15. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/16290930 16290930] | ||
[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
[[Category: Protein complex]] | [[Category: Protein complex]] | ||
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[[Category: thrombin]] | [[Category: thrombin]] | ||
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 16:00:47 2008'' | ||
Revision as of 14:00, 20 March 2008
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| 2bdy, resolution 1.610Å | |||||||||||||
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| Ligands: | NA and UNB | ||||||||||||
| Activity: | Thrombin, with EC number 3.4.21.5 | ||||||||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||||||||
thrombin in complex with inhibitor
Overview
Prototypical thrombin inhibitors were synthesized based on a trisubstituted phenol as a core motif. A naphthylsulfonamide analogue showed excellent antithrombin activity. An X-ray co-crystal structure showed the expected interactions.
Disease
Known diseases associated with this structure: Dysprothrombinemia OMIM:[176930], Hyperprothrombinemia OMIM:[176930], Hypoprothrombinemia OMIM:[176930]
About this Structure
2BDY is a Protein complex structure of sequences from Homo sapiens. Full crystallographic information is available from OCA.
Reference
Phenolic P2/P3 core motif as thrombin inhibitors--design, synthesis, and X-ray co-crystal structure., Hanessian S, Therrien E, van Otterlo WA, Bayrakdarian M, Nilsson I, Fjellstrom O, Xue Y, Bioorg Med Chem Lett. 2006 Feb 15;16(4):1032-6. Epub 2005 Nov 15. PMID:16290930
Page seeded by OCA on Thu Mar 20 16:00:47 2008
