1w2k
From Proteopedia
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|PDB= 1w2k |SIZE=350|CAPTION= <scene name='initialview01'>1w2k</scene>, resolution 3.00Å | |PDB= 1w2k |SIZE=350|CAPTION= <scene name='initialview01'>1w2k</scene>, resolution 3.00Å | ||
|SITE= <scene name='pdbsite=AC1:Bgc+Binding+Site+For+Chain+L'>AC1</scene> | |SITE= <scene name='pdbsite=AC1:Bgc+Binding+Site+For+Chain+L'>AC1</scene> | ||
| - | |LIGAND= <scene name='pdbligand= | + | |LIGAND= <scene name='pdbligand=380:(2R)-2-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO)-N-BENZYL-2-(3,4-DIMETHOXYPHENYL)ACETAMIDE'>380</scene>, <scene name='pdbligand=BGC:BETA-D-GLUCOSE'>BGC</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=CAC:CACODYLATE+ION'>CAC</scene>, <scene name='pdbligand=CGU:GAMMA-CARBOXY-GLUTAMIC+ACID'>CGU</scene>, <scene name='pdbligand=FUC:ALPHA-L-FUCOSE'>FUC</scene> |
| - | |ACTIVITY= [http://en.wikipedia.org/wiki/Coagulation_factor_VIIa Coagulation factor VIIa], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.21 3.4.21.21] | + | |ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Coagulation_factor_VIIa Coagulation factor VIIa], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.21 3.4.21.21] </span> |
|GENE= | |GENE= | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY= | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1w2k FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1w2k OCA], [http://www.ebi.ac.uk/pdbsum/1w2k PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1w2k RCSB]</span> | ||
}} | }} | ||
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==Overview== | ==Overview== | ||
Proof of concept experiments have shown that tissue factor/factor VIIa inhibitors have antithrombotic activity without enhancing bleeding propensity. Starting from lead compounds generated by a biased combinatorial approach, phenylglycine amide tissue factor/factor VIIa inhibitors with low nanomolar affinity and good selectivity against other serine proteases of the coagulation cascade were designed, using the guidance of X-ray structural analysis and molecular modelling. | Proof of concept experiments have shown that tissue factor/factor VIIa inhibitors have antithrombotic activity without enhancing bleeding propensity. Starting from lead compounds generated by a biased combinatorial approach, phenylglycine amide tissue factor/factor VIIa inhibitors with low nanomolar affinity and good selectivity against other serine proteases of the coagulation cascade were designed, using the guidance of X-ray structural analysis and molecular modelling. | ||
| - | |||
| - | ==Disease== | ||
| - | Known diseases associated with this structure: Esophageal squamous cell carcinoma OMIM:[[http://www.ncbi.nlm.nih.gov/entrez/dispomim.cgi?id=606551 606551]], Factor VII deficiency OMIM:[[http://www.ncbi.nlm.nih.gov/entrez/dispomim.cgi?id=227500 227500]], Myocardial infarction, decreased susceptibility to OMIM:[[http://www.ncbi.nlm.nih.gov/entrez/dispomim.cgi?id=227500 227500]] | ||
==About this Structure== | ==About this Structure== | ||
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[[Category: Wallbaum, S.]] | [[Category: Wallbaum, S.]] | ||
[[Category: Weber, L.]] | [[Category: Weber, L.]] | ||
| - | [[Category: 380]] | ||
| - | [[Category: BGC]] | ||
| - | [[Category: CA]] | ||
| - | [[Category: CAC]] | ||
| - | [[Category: FUC]] | ||
[[Category: blood coagulation]] | [[Category: blood coagulation]] | ||
[[Category: calcium-binding]] | [[Category: calcium-binding]] | ||
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[[Category: vitamin k]] | [[Category: vitamin k]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 00:30:16 2008'' |
Revision as of 21:30, 30 March 2008
| |||||||
| , resolution 3.00Å | |||||||
|---|---|---|---|---|---|---|---|
| Sites: | |||||||
| Ligands: | , , , , , | ||||||
| Activity: | Coagulation factor VIIa, with EC number 3.4.21.21 | ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
TF7A_4380 COMPLEX
Overview
Proof of concept experiments have shown that tissue factor/factor VIIa inhibitors have antithrombotic activity without enhancing bleeding propensity. Starting from lead compounds generated by a biased combinatorial approach, phenylglycine amide tissue factor/factor VIIa inhibitors with low nanomolar affinity and good selectivity against other serine proteases of the coagulation cascade were designed, using the guidance of X-ray structural analysis and molecular modelling.
About this Structure
1W2K is a Protein complex structure of sequences from Homo sapiens. Full crystallographic information is available from OCA.
Reference
Design of selective phenylglycine amide tissue factor/factor VIIa inhibitors., Groebke Zbinden K, Banner DW, Ackermann J, D'Arcy A, Kirchhofer D, Ji YH, Tschopp TB, Wallbaum S, Weber L, Bioorg Med Chem Lett. 2005 Feb 1;15(3):817-22. PMID:15664864
Page seeded by OCA on Mon Mar 31 00:30:16 2008
Categories: Coagulation factor VIIa | Homo sapiens | Protein complex | Ackermann, J. | Arcy, A D. | Banner, D W. | Groebke-Zbinden, K. | Ji, Y. | Kirchhofer, D. | Tschopp, T B. | Wallbaum, S. | Weber, L. | Blood coagulation | Calcium-binding | Co-factor | Coagulation | Enzyme complex | Gamma-carboxyglutamic acid | Glycoprotein | Hydrolase | Plasma | Serine protease | Vitamin k
