1wbg Summary

pdbe.org/1wbg
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ACTIVE SITE THROMBIN INHIBITORS

The structure was published by Hartshorn, M.J., Murray, C.W., Cleasby, A., Frederickson, M., Tickle, I.J., and Jhoti, H., in 2005 in a paper entitled "Fragment-Based Lead Discovery Using X-Ray Crystallography" (abstract).

This crystal structure was determined using X-ray diffraction at a resolution of 2.2 Å and deposited in 2004.

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

This PDB entry contains a complex of 3 biomacromolecules, namely THROMBIN LIGHT CHAIN, THROMBIN HEAVY CHAIN, and HIRUGEN.

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
A THROMBIN LIGHT CHAIN Q69EZ8 (1-36) (Q69EZ8_HUMAN)search Homo sapienssearch < 90% 36 88%
B THROMBIN HEAVY CHAIN P00734 (364-622) (THRB_HUMAN)search Homo sapienssearch 93% 259 96%
I HIRUGEN P01050 (55-64) (HIRV1_HIRME)search Hirudo medicinalissearch 97% 10 100%


This entry contains 3 unique UniProt proteins:

UniProt accession Name Organism PDB
Q69EZ8 (1 - 36) THROMBIN LIGHT CHAIN Homo sapiens
P00734 (364 - 622) THROMBIN HEAVY CHAIN Homo sapiens
P01050 (55 - 64) HIRUGEN HIRUDO MEDICINALIS

Chain Structural classification (CATH) Sequence family (Pfam)
A (P00734)
B (P00734) Trypsin-like serine proteasessearch PF00089: Trypsinsearch
I (P09945)

Chain ID Biological process (GO) Cellular component (GO) Molecular function (GO)
A (Q69EZ8) proteolysissearch blood coagulationsearch extracellular regionsearch serine-type endopeptidase activitysearch
B (P00734) blood coagulationsearch proteolysissearch calcium ion bindingsearch serine-type endopeptidase activitysearch catalytic activitysearch

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