2ank Summary


orally active thrombin inhibitors in complex with thrombin and an exosite decapeptide

The structure was published by Lange, U.E.W., Baucke, D., Hornberger, W., Mack, H., Seitz, W., and Hoeffken, H.W., in 2006 in a paper entitled "Orally active thrombin inhibitors. Part 2: optimization of the P2-moiety" (abstract).

This crystal structure was determined using X-ray diffraction at a resolution of 2.46 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 Thrombin heavy chain, Thrombin light chain, and synthetic peptide.

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 Thrombin heavy chain P00734 (364-622) (THRB_HUMAN)search Homo sapienssearch 93% 259 96%
L Thrombin light chain P00734 (330-363) (THRB_HUMAN)search Homo sapienssearch 93% 34 100%
P synthetic peptide Not available
Syntheticsearch Not available 11 100%

This entry contains 1 unique UniProt protein:

UniProt accession Name Organism PDB
P00734 (364 - 622) Thrombin heavy chain Homo sapiens

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

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