Brand  (β version)

PDB ID: 2CN0

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Ligands
Code Name Style Show Link
CA Calcium ion PoSSuM
F25 4-(1r,3as,4r,8as,8br)-[1-difluoromethyl-2-(4-fluorobenzyl)-3-oxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzamidine PoSSuM
NA Sodium ion PoSSuM
Non-standard Residues
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Glycosylation
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Modification
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SIN Succinic acid

Structure summary

Code : 2CN0   PDBj   RCSB PDB   PDBe
Header : HYDROLASE/HYDROLASE INHIBITOR
Title : Complex of Recombinant Human Thrombin with a Designed Inhibitor
Release Data : 2006-11-06
Compound :
mol_id molecule chains synonym
1 PROTHROMBIN PRECURSOR H COAGULATION FACTOR II, THROMBIN
ec: 3.4.21.5
fragment: RESIDUES 364-620
mol_id molecule chains
2 HIRUDIN IIA I
fragment: HIRUDIN C-TERMINUS, RESIDUES 56-65
other_details: ASP PHE GLU GLU ILE PRO GLU GLU TYR LEU GLN
mol_id molecule chains synonym
3 PROTHROMBIN PRECURSOR L COAGULATION FACTOR II, THROMBIN
ec: 3.4.21.5
fragment: RESIDUES 334-361
Source :
mol_id organism_scientific organism_common expression_system
1 HOMO SAPIENS  (taxid:9606) HUMAN CRICETULUS GRISEUS  (taxid:10029)
expression_system_cell_line: OVARY
mol_id organism_scientific organism_common
2 HIRUDO MEDICINALIS  (taxid:6421) MEDICINAL LEECH
synthetic: yes
mol_id organism_scientific organism_common expression_system
3 HOMO SAPIENS  (taxid:9606) HUMAN CRICETULUS GRISEUS  (taxid:10029)
expression_system_cell_line: OVARY
Authors : Hoffmann-Roder, A., Schweizer, E., Egger, J., Seiler, P., Obst-Sander, U., Wagner, B., Kansy, M., Banner, D.W., Diederich, F.
Keywords : ACUTE PHASE, BLOOD COAGULATION, CALCIUM-BINDING, GLYCOPROTEIN, HYDROLASE, SERINE PROTEASE, SERINE PROTEASE INHIBITOR COMPLEX, HYDROLASE-HYDROLASE INHIBITOR COMPLEX
Exp. method : X-RAY DIFFRACTION ( 1.30 Å )
Citation :

Mapping the Fluorophilicity of a Hydrophobic Pocket: Synthesis and Biological Evaluation of Tricyclic Thrombin Inhibitors Directing Fluorinated Alkyl Groups Into the P Pocket

Hoffmann-Roder, A.,Schweizer, E.,Egger, J.  et al.
(2006)  Chemmedchem  1 : 1205

PubMed: 17001711
DOI: 10.1002/CMDC.200600124

Reaction

Chain : L
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 : P28503 (HIR2A_HIRME)
Reaction : -