Brand  (β version)

PDB ID: 3TU7

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Ligands
Code Name Style Show Link
0BM N-(methylsulfonyl)-D-phenylalanyl-N-[(1-carbamimidoylpiperidin-4-yl)methyl]-L-prolinamide PoSSuM
Non-standard Residues
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PTR O-phosphotyrosine
Glycosylation
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Structure summary

Code : 3TU7   PDBj   RCSB PDB   PDBe
Header : HYDROLASE/HYDROLASE INHIBITOR
Title : Human alpha-thrombin complexed with N-(methylsulfonyl)-D-phenylalanyl-N-((1-carbamimidoyl-4-piperidinyl)methyl)-L-prolinamide (BMS-189664)
Release Data : 2011-10-12
Compound :
mol_id molecule chains synonym
1 Prothrombin L Coagulation factor II, Activation peptide fragment 1, Activation peptide fragment 2, Thrombin light chain, Thrombin heavy chain
ec: 3.4.21.5
fragment: Thrombin light chain
mol_id molecule chains synonym
2 Prothrombin H Coagulation factor II, Activation peptide fragment 1, Activation peptide fragment 2, Thrombin light chain, Thrombin heavy chain
ec: 3.4.21.5
fragment: Thrombin heavy chain
mol_id molecule chains
3 Hirudin variant-2 I
Source :
mol_id organism_scientific organism_common
1 Homo sapiens  (taxid:9606) Human
tissue: PLASMA
mol_id organism_scientific organism_common
2 Homo sapiens  (taxid:9606) Human
tissue: PLASMA
mol_id organism_scientific organism_common
3 Hirudo medicinalis  (taxid:6421) Medicinal leech
tissue: PLASMA
Authors : Malley, M., Sack, J.S.
Keywords : SERINE PROTEASE, HYDROLASE-HYDROLASE INHIBITOR COMPLEX
Exp. method : X-RAY DIFFRACTION ( 2.49 Å )
Citation :

Molecular design and structure-activity relationships leading to the potent, selective, and orally active thrombin active site inhibitor BMS-189664.

Das, J.,Kimball, S.D.,Hall, S.E.  et al.
(2002)  Bioorg.Med.Chem.Lett.  12 : 45 - 49

PubMed: 11738570

Reaction

Chain : H
UniProt : P00734 (THRB_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
Selective cleavage of Arg-|-Gly bonds in fibrinogen to form fibrin and release fibrinopeptides A and B. 3.4.21.5 -
-
Chain : I
UniProt : P09945 (HIRV2_HIRME)
Reaction : -