1a5g

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HUMAN THROMBIN COMPLEXED WITH NOVEL SYNTHETIC PEPTIDE MIMETIC INHIBITOR AND HIRUGEN

Structural highlights

1a5g is a 3 chain structure with sequence from Hirudo medicinalis and Homo sapiens. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:X-ray diffraction, Resolution 2.06Å
Ligands:00L, NA, TYS
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

HIRV2_HIRME Hirudin is a potent thrombin-specific protease inhibitor. It forms a stable non-covalent complex with alpha-thrombin, thereby abolishing its ability to cleave fibrinogen.

Evolutionary Conservation

Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf.

Publication Abstract from PubMed

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.

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[1]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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Citations
3 reviews cite this structure
Design, synthesis, and application of azabicyclo[X.Y.0]alkanone amino acids as constrained dipeptide surrogates and peptide mimics.
Cluzeau et al. (2005)
2 more
19 other articles
No citations found

See Also

References

  1. ↑ St Charles R, Matthews JH, Zhang E, Tulinsky A. Bound structures of novel P3-P1' beta-strand mimetic inhibitors of thrombin. J Med Chem. 1999 Apr 22;42(8):1376-83. PMID:10212123 doi:http://dx.doi.org/10.1021/jm980052n

Contents


PDB ID 1a5g

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