Brand  (β version)

  The number of atoms exceeds 100,000.
  So, it can not be displayed here.

Select unit:

Select hetatm:   

close
information
centroid:
interaction residue:

Select chain:   Sequence  

Data format:   

Color scheme of protein:

Ligands
Code Name Style Show Link
02P D-phenylalanyl-N-[(4-chloro-1-methylpyridinium-2-yl)methyl]-L-prolinamide
GOL Glycerol
NA Sodium ion
PO4 Phosphate ion
Non-standard Residues
Code Name Show
TYS O-sulfo-L-tyrosine
Glycosylation
Code Name Emphasize
NAG 2-acetamido-2-deoxy-beta-D-glucopyranose
Modification
Code Name Show
Code : 3QX5   PDBj   RCSB PDB   PDBe
Header : HYDROLASE/HYDROLASE INHIBITOR
Title : Thrombin Inhibition by Pyridin Derivatives
Release Data : 2012-03-07
Compound :
mol_id molecule chains
1 Thrombin light chain L
ec: 3.4.21.5
mol_id molecule chains
2 Thrombin heavy chain H
ec: 3.4.21.5
mol_id molecule chains
3 Hirudin variant-2 I
fragment: residues in UNP 60-72
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 organism_common
3 Hirudo medicinalis  (taxid:6421) Medicinal leech
synthetic: yes
other_details: Synthetic Fragment of Hirudin From Hirudo Medicinalis
Authors : Biela, A., Heine, A., Klebe, G.
Keywords : Serine Protease, Kringle, Hydrolase, Blood Coagulation, Blood Clotting, Convertion of Fibrinogen to Fibrin, Cleavage on Pairs of Basic Residues, Blood Clotting Inhibitor, Thrombin Inhibitor, Glycosylation, Blood, HYDROLASE-HYDROLASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 1.350 Å )
Citation :

Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin

Biela, A.,Khayat, M.,Tan, H.  et al.
(2012)  J.Mol.Biol.  418 : 350 - 366

PubMed: 22366545
DOI: 10.1016/j.jmb.2012.01.054

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 : -