2bxu Summary

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DESIGN AND DISCOVERY OF NOVEL, POTENT THROMBIN INHIBITORS WITH A SOLUBILIZING CATIONIC P1-P2-LINKER

The structure was published by Bulat, S., Bosio, S., Papadopoulos, M.A., et al., Schamberger, J., Sekul, R., and Feurer, A., in 2006 in a paper entitled "Design and Discovery of Novel, Potent Pyrazinone-Based Thrombin Inhibitors with a Solubilizing P1-P2-Linker" (abstract).

This crystal structure was determined using X-ray diffraction at a resolution of 2.8 Å and deposited in 2005.

The experimental data on which the structure is based was not deposited.

This PDB entry contains a complex of 3 biomacromolecules, namely ALPHA THROMBIN and HIRUDIN.

It also contains one or more heterogenic compounds (e.g., ligands, co-factors, ions, modified amino acids, etc.); see here for a complete list.

The molecule most likely forms heterotrimers.

The following tables show cross-reference information to other databases (to obtain a list of all PDB entries sharing the same property or classification, click on the magnifying glass icon):


Chain Name UniProt Name of source organism % of UniProt sequence present in the sample Residues in the sample molecules % of residues observed
H ALPHA THROMBIN P00734 (364-622) (THRB_HUMAN)search Homo sapienssearch 93% 259 97%
I HIRUDIN Not available
Not available Not available 11 100%
L ALPHA THROMBIN P00734 (328-363) (THRB_HUMAN)search Homo sapienssearch 93% 36 77%


This entry contains 1 unique UniProt protein:

UniProt accession Name Organism PDB
P00734 (364 - 622) ALPHA THROMBIN Homo sapiens

Chain Structural classification (CATH) Sequence family (Pfam)
H (P00734) Trypsin-like serine proteasessearch PF00089: Trypsinsearch
I
L (P00734) PF09396: Thrombin light chainsearch

Chain ID Molecular function (GO) Biological process (GO) Cellular component (GO)
H (P00734) catalytic activitysearch serine-type endopeptidase activitysearch calcium ion bindingsearch proteolysissearch blood coagulationsearch
L (P00734) serine-type endopeptidase activitysearch blood coagulationsearch proteolysissearch extracellular regionsearch

Chain InterPro annotation
H Peptidase S1search Peptidase S1A, chymotrypsin-typesearch Prothrombin/thrombinsearch Trypsin-like cysteine/serine peptidase domainsearch Peptidase S1, trypsin family, active sitesearch
I
L Thrombin light chainsearch