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1h8i
From Proteopedia
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X-RAY CRYSTAL STRUCTURE OF HUMAN ALPHA-THROMBIN WITH A TRIPEPTIDE PHOSPHONATE INHIBITOR.
Overview
X-ray crystallographic studies of human alpha-thrombin with a novel, synthetic inhibitor, an acyl (alpha-aminoalkyl)phosphonate, reveal the, existence of a pentacovalent phosphorus intermediate state. Crystal, structures of the complex of alpha-thrombin with the phosphonate compound, were determined independently using crystals of different ages. The first, structure, solved from a crystal less than seven days old, showed a, pentacoordinated phosphorus moiety. The second structure, determined from, a crystal that was 12 weeks old, showed a tetracoordinated phosphorus, moiety. In the first structure, a water molecule, made nucleophilic by, coordination to His57 of alpha-thrombin, is bonded to the pentacoordinated, phosphorus atom. Its position is approximately equivalent to that occupied, ... [(full description)]
About this Structure
1H8I is a [Protein complex] structure of sequences from [Hirudo medicinalis] and [Homo sapiens] with PHW as [ligand]. Active as [Thrombin], with EC number [3.4.21.5]. Structure known Active Site: AC1. Full crystallographic information is available from [OCA].
Reference
Inhibition of human alpha-thrombin by a phosphonate tripeptide proceeds via a metastable pentacoordinated phosphorus intermediate., Skordalakes E, Dodson GG, Green DS, Goodwin CA, Scully MF, Hudson HR, Kakkar VV, Deadman JJ, J Mol Biol. 2001 Aug 17;311(3):549-55. PMID:11493008
Page seeded by OCA on Tue Oct 30 12:22:46 2007
