1a5g

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[[Image:1a5g.gif|left|200px]]
[[Image:1a5g.gif|left|200px]]
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{{Structure
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|PDB= 1a5g |SIZE=350|CAPTION= <scene name='initialview01'>1a5g</scene>, resolution 2.06&Aring;
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The line below this paragraph, containing "STRUCTURE_1a5g", creates the "Structure Box" on the page.
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|SITE= <scene name='pdbsite=CAT:Active+Site'>CAT</scene>
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <scene name='pdbligand=BIC:3-AMINO-3-BENZYL-9-CARBOXAMIDE[4.3.0]BICYCLO-1,6-DIAZANONAN-2-ONE'>BIC</scene>, <scene name='pdbligand=EOA:N-PHENETHYL-FORMAMIDE'>EOA</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=TYS:SULFONATED+TYROSINE'>TYS</scene>
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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|ACTIVITY= <span class='plainlinks'>[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] </span>
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or leave the SCENE parameter empty for the default display.
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|GENE=
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|DOMAIN=
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{{STRUCTURE_1a5g| PDB=1a5g | SCENE= }}
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|RELATEDENTRY=
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1a5g FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1a5g OCA], [http://www.ebi.ac.uk/pdbsum/1a5g PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1a5g RCSB]</span>
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}}
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'''HUMAN THROMBIN COMPLEXED WITH NOVEL SYNTHETIC PEPTIDE MIMETIC INHIBITOR AND HIRUGEN'''
'''HUMAN THROMBIN COMPLEXED WITH NOVEL SYNTHETIC PEPTIDE MIMETIC INHIBITOR AND HIRUGEN'''
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[[Category: Kahn, M.]]
[[Category: Kahn, M.]]
[[Category: Tulinsky, A.]]
[[Category: Tulinsky, A.]]
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[[Category: complex (serine protease/inhibitor)]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May 2 09:50:18 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 18:33:41 2008''
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Revision as of 06:50, 2 May 2008

Image:1a5g.gif

Template:STRUCTURE 1a5g

HUMAN THROMBIN COMPLEXED WITH NOVEL SYNTHETIC PEPTIDE MIMETIC INHIBITOR AND HIRUGEN


Overview

The X-ray crystal structures of four beta-strand-templated active site inhibitors of thrombin containing P1' groups have been determined and refined at about 2.1-A resolution to crystallographic R-values between 0.148 and 0.164. Two of the inhibitors have an alpha-ketoamide functionality at the scissile bond; the other two have a nonhydrolyzable electrophilic group at the P1' position. The binding of lysine is compared with that of arginine at the S1 specificity site, while that of D,L-phenylalanine enantiomorphs is compared in the S3 region of thrombin. Four different P1' moieties bind at the S1' subsite in three different ways. The binding constants vary between 2.0 microM and 70 pM. The bound structures are used to intercorrelate the various binding constants and also lead to insightful inferences concerning binding at the S1' site of thrombin.

About this Structure

1A5G is a Protein complex structure of sequences from Hirudo medicinalis and Homo sapiens. Full crystallographic information is available from OCA.

Reference

Bound structures of novel P3-P1' beta-strand mimetic inhibitors of thrombin., St Charles R, Matthews JH, Zhang E, Tulinsky A, J Med Chem. 1999 Apr 22;42(8):1376-83. PMID:10212123 Page seeded by OCA on Fri May 2 09:50:18 2008

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OCA

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