1a5g
From Proteopedia
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| - | [[Image:1a5g.gif|left|200px]]<br /><applet load="1a5g" size=" | + | [[Image:1a5g.gif|left|200px]]<br /><applet load="1a5g" size="350" color="white" frame="true" align="right" spinBox="true" |
caption="1a5g, resolution 2.06Å" /> | caption="1a5g, resolution 2.06Å" /> | ||
'''HUMAN THROMBIN COMPLEXED WITH NOVEL SYNTHETIC PEPTIDE MIMETIC INHIBITOR AND HIRUGEN'''<br /> | '''HUMAN THROMBIN COMPLEXED WITH NOVEL SYNTHETIC PEPTIDE MIMETIC INHIBITOR AND HIRUGEN'''<br /> | ||
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==About this Structure== | ==About this Structure== | ||
| - | 1A5G is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/Hirudo_medicinalis Hirudo medicinalis] and [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with NA, BIC and EOA as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [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] Known structural/functional Site: <scene name='pdbsite=CAT:Active Site'>CAT</scene>. Full crystallographic information is available from [http:// | + | 1A5G is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/Hirudo_medicinalis Hirudo medicinalis] and [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with <scene name='pdbligand=NA:'>NA</scene>, <scene name='pdbligand=BIC:'>BIC</scene> and <scene name='pdbligand=EOA:'>EOA</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [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] Known structural/functional Site: <scene name='pdbsite=CAT:Active+Site'>CAT</scene>. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1A5G OCA]. |
==Reference== | ==Reference== | ||
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[[Category: complex (serine protease/inhibitor)]] | [[Category: complex (serine protease/inhibitor)]] | ||
| - | ''Page seeded by [http:// | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Feb 3 09:29:10 2008'' |
Revision as of 07:29, 3 February 2008
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HUMAN THROMBIN COMPLEXED WITH NOVEL SYNTHETIC PEPTIDE MIMETIC INHIBITOR AND HIRUGEN
Contents |
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.
Disease
Known diseases associated with this structure: Dysprothrombinemia OMIM:[176930], Hyperprothrombinemia OMIM:[176930], Hypoprothrombinemia OMIM:[176930]
About this Structure
1A5G is a Protein complex structure of sequences from Hirudo medicinalis and Homo sapiens with , and as ligands. Active as Thrombin, with EC number 3.4.21.5 Known structural/functional Site: . 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
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