Het-PDB Navi2 (PDB: 1QUR)

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Ligands
Code	Name		Style	Show	Link

Non-standard Residues
Code	Name	Show
00I	N-[(1r)-1-(4-carbamimidoylbenzyl)-2-oxo-2-piperidin-1-ylethyl]-N~2~-(naphthalen-2-ylsulfonyl)-L-alpha-glutamine
ALC	2-amino-3-cyclohexyl-propionic acid
DGL	D-glutamic acid

Glycosylation
Code	Name	Emphasize

Modification
Code	Name	Show
ABU	Gamma-amino-butanoic acid

Download interaction data: 1QUR

Code :

1QUR PDBj RCSB PDB PDBe

Header :

HYDROLASE/HYDROLASE INHIBITOR

Title :

HUMAN ALPHA-THROMBIN IN COMPLEX WITH BIVALENT, BENZAMIDINE-BASED SYNTHETIC INHIBITOR

Release Data :

1999-10-14

Compound :

mol_id	molecule	chains
1	HUMAN THROMBIN (ALPHA CHAIN)	L

mol_id	molecule	chains
2	HUMAN THROMBIN (BETA CHAIN)	H

mol_id	molecule	chains
3	BIVALENT INHIBITOR (BZA-2 HIRULOG)	I
	other_details: 2-NAPHTHYLSULFONYL-GLU(NH-(CH2)3-CO-(GLY)4-ASN-GLY-ASP-TYR-GLU-PRO-ILE-PRO-GLU-GLU-ALA-CYCLOHEXYLALANINE-(D)GLU)-(D)4-AMIDINOPHENYLALANINE-PIPERIDIDE

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
	synthetic: yes other_details: The inhibitor was chemically synthesized AS COMBINATION OF ORGANIC AND SOLID PHASE PEPTIDE SYNTHESIS. THE ACTIVE SITE BINDING PORTION IS DERIVED FROM THE SYNTHETICAL INHIBITOR NAPAP,THE SEQUENCE OF THE EXOSITE BINDING PORTION WAS DERIVED FROM THE NATURALLY OCCURING INHIBITOR HIRUDIN, ISOLATED FROM THE MEDICAL LEECH AND THE SYNTHETICALLY SYNTHESIZED EXOSITE INHIBITOR MDL-28,050.

Authors :

Renatus, M., Steinmetzer, T.

Keywords :

TRYPSIN LIKE SERINE PROTEASE, BLOOD COAGULATION, HYDROLASE-HYDROLASE INHIBITOR COMPLEX

Exp. method :

X-RAY DIFFRACTION ( 2.0 Å )

Citation :

Design and evaluation of novel bivalent thrombin inhibitors based on amidinophenylalanines.

Steinmetzer, T.,Renatus, M.,Kunzel, S. et al.
(1999) Eur.J.Biochem. 265 : 598 - 605

PDB ID: 1QUR