1a3e Summary



The structure was published by Skordalakes, E., Elgendy, S., Goodwin, C.A., et al., Freyssinet, J.M., Dodson, G., and Deadman, J.J., in 1998 in a paper entitled "Bifunctional peptide boronate inhibitors of thrombin: crystallographic analysis of inhibition enhanced by linkage to an exosite 1 binding peptide." (abstract).

This crystal structure was determined using X-ray diffraction at a resolution of 1.85 Å and deposited in 1998.

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

This PDB entry contains a complex of 3 biomacromolecules, namely ALPHA-THROMBIN (SMALL SUBUNIT), ALPHA-THROMBIN (LARGE SUBUNIT), 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
L ALPHA-THROMBIN (SMALL SUBUNIT) P00734 (328-363) (THRB_HUMAN)search Homo sapienssearch 93% 36 75%
H ALPHA-THROMBIN (LARGE SUBUNIT) P00734 (364-622) (THRB_HUMAN)search Homo sapienssearch 93% 259 96%
I Hirudin P28504 (49-64) (HIR2_HIRME)search Hirudo medicinalissearch < 90% 18 61%

This entry contains 2 unique UniProt proteins:

UniProt accession Name Organism PDB
P00734 (328 - 363) ALPHA-THROMBIN (SMALL SUBUNIT) Homo sapiens
P28504 (49 - 64) Hirudin Hirudo medicinalis

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

Chain ID Biological process (GO) Molecular function (GO) Cellular component (GO)
L (P00734) blood coagulationsearch proteolysissearch serine-type endopeptidase activitysearch extracellular regionsearch
H (P00734) proteolysissearch blood coagulationsearch serine-type endopeptidase activitysearch catalytic activitysearch calcium ion bindingsearch
I (P28504) serine-type endopeptidase inhibitor activitysearch

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