1w2k: Difference between revisions

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|PDB= 1w2k |SIZE=350|CAPTION= <scene name='initialview01'>1w2k</scene>, resolution 3.00&Aring;
|PDB= 1w2k |SIZE=350|CAPTION= <scene name='initialview01'>1w2k</scene>, resolution 3.00&Aring;
|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=FUC:ALPHA-L-FUCOSE'>FUC</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> and <scene name='pdbligand=380:(2R)-2-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO)-N-BENZYL-2-(3,4-DIMETHOXYPHENYL)ACETAMIDE'>380</scene>
|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]]
Line 52: Line 47:
[[Category: vitamin k]]
[[Category: vitamin k]]


''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 14:51:12 2008''
''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

File:1w2k.gif


Drag the structure with the mouse to rotate
1w2k, resolution 3.00Å
Sites: AC1
Ligands: 380, BGC, CA, CAC, CGU, FUC
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

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