1x7a
From Proteopedia
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| - | [[Image:1x7a.gif|left|200px]] | + | [[Image:1x7a.gif|left|200px]] |
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| - | '''Porcine Factor IXa Complexed to 1-{3-[amino(imino)methyl]phenyl}-N-[4-(1H-benzimidazol-1-yl)-2-fluorophenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide''' | + | {{Structure |
| + | |PDB= 1x7a |SIZE=350|CAPTION= <scene name='initialview01'>1x7a</scene>, resolution 2.90Å | ||
| + | |SITE= | ||
| + | |LIGAND= <scene name='pdbligand=187:1-{3-[AMINO(IMINO)METHYL]PHENYL}-N-[4-(1H-BENZIMIDAZOL-1-YL)-2-FLUOROPHENYL]-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-5-CARBOXAMIDE'>187</scene> | ||
| + | |ACTIVITY= [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] | ||
| + | |GENE= | ||
| + | }} | ||
| + | |||
| + | '''Porcine Factor IXa Complexed to 1-{3-[amino(imino)methyl]phenyl}-N-[4-(1H-benzimidazol-1-yl)-2-fluorophenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide''' | ||
| + | |||
==Overview== | ==Overview== | ||
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==About this Structure== | ==About this Structure== | ||
| - | 1X7A is a [ | + | 1X7A is a [[Protein complex]] structure of sequences from [http://en.wikipedia.org/wiki/Sus_scrofa Sus scrofa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1X7A OCA]. |
==Reference== | ==Reference== | ||
| - | SAR and factor IXa crystal structure of a dual inhibitor of factors IXa and Xa., Smallheer JM, Alexander RS, Wang J, Wang S, Nakajima S, Rossi KA, Smallwood A, Barbera F, Burdick D, Luettgen JM, Knabb RM, Wexler RR, Jadhav PK, Bioorg Med Chem Lett. 2004 Nov 1;14(21):5263-7. PMID:[http:// | + | SAR and factor IXa crystal structure of a dual inhibitor of factors IXa and Xa., Smallheer JM, Alexander RS, Wang J, Wang S, Nakajima S, Rossi KA, Smallwood A, Barbera F, Burdick D, Luettgen JM, Knabb RM, Wexler RR, Jadhav PK, Bioorg Med Chem Lett. 2004 Nov 1;14(21):5263-7. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/15454208 15454208] |
[[Category: Coagulation factor IXa]] | [[Category: Coagulation factor IXa]] | ||
[[Category: Protein complex]] | [[Category: Protein complex]] | ||
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[[Category: inhibition; x-ray structure]] | [[Category: inhibition; x-ray structure]] | ||
| - | ''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 15:05:59 2008'' |
Revision as of 13:06, 20 March 2008
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| , resolution 2.90Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | |||||||
| Activity: | Coagulation factor IXa, with EC number 3.4.21.22 | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
Porcine Factor IXa Complexed to 1-{3-[amino(imino)methyl]phenyl}-N-[4-(1H-benzimidazol-1-yl)-2-fluorophenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
Overview
Modifications to the P4 moiety and pyrazole C3 substituent of factor Xa inhibitor SN-429 provided several new compounds, which are 5-10nM inhibitors of factor IXa. An X-ray crystal structure of one example complexed to factor IXa shows that these compounds adopt a similar binding mode to that previously observed with pyrazole inhibitors in the factor Xa active site both with regard to how the inhibitor binds and the position of Tyr99.
About this Structure
1X7A is a Protein complex structure of sequences from Sus scrofa. Full crystallographic information is available from OCA.
Reference
SAR and factor IXa crystal structure of a dual inhibitor of factors IXa and Xa., Smallheer JM, Alexander RS, Wang J, Wang S, Nakajima S, Rossi KA, Smallwood A, Barbera F, Burdick D, Luettgen JM, Knabb RM, Wexler RR, Jadhav PK, Bioorg Med Chem Lett. 2004 Nov 1;14(21):5263-7. PMID:15454208
Page seeded by OCA on Thu Mar 20 15:05:59 2008
