Het-PDB Navi2 (PDB: 3F68)

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Ligands
Code	Name		Style	Show	Link
91U	N-acetyl-3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-L-prolinamide				PoSSuM
NA	Sodium ion				PoSSuM

Non-standard Residues
Code	Name	Show
TYS	O-sulfo-L-tyrosine

Glycosylation
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Download interaction data: 3F68

Code :

3F68 PDBj RCSB PDB PDBe

Header :

HYDROLASE/HYDROLASE INHIBITOR

Title :

Thrombin Inhibition

Release Data :

2009-10-20

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: UNP residues 328-363, 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: UNP residues 364-622, Thrombin heavy chain

mol_id	molecule	chains
3	Hirudin variant-2	I
	fragment: UNP residues 61-71

Source :

mol_id	organism_scientific	organism_common
1	Homo sapiens (taxid:9606)	Human

mol_id	organism_scientific	organism_common
2	Homo sapiens (taxid:9606)	Human

mol_id	organism_scientific
3	Hirudo Medicinalis (taxid:6421)
	synthetic: yes other_details: Synthetic Fragment of Hirudin from Hirudo Medicinalis

Authors :

Baum, B., Heine, A., Klebe, G.

Keywords :

Blood Clotting, Hydrolase Inhibitor, Acute phase, Blood coagulation, Gamma-carboxyglutamic acid, Glycoprotein, Hydrolase, Kringle, Protease, Secreted, Serine protease, Protease inhibitor, Serine protease inhibitor, Sulfation, HYDROLASE-HYDROLASE INHIBITOR COMPLEX

Exp. method :

X-RAY DIFFRACTION ( 1.75 Å )

Citation :

Think twice: understanding the high potency of bis(phenyl)methane inhibitors of thrombin.

Baum, B.,Muley, L.,Heine, A. et al.
(2009) J.Mol.Biol. 391 : 552 - 564

PubMed: 19520086
DOI: 10.1016/j.jmb.2009.06.016

Chain :	I
UniProt :	P09945 (HIRV2_HIRME)
Reaction :	-

PDB ID: 3F68

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Structure summary

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