Brand  (β version)

PDB ID: 3P17

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Ligands
Code Name Style Show Link
99P D-phenylalanyl-N-(pyridin-3-ylmethyl)-L-prolinamide PoSSuM
NA Sodium ion PoSSuM
PO4 Phosphate ion PoSSuM
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

Structure summary

Code : 3P17   PDBj   RCSB PDB   PDBe
Header : HYDROLASE/HYDROLASE INHIBITOR
Title : Thrombin Inhibition by Pyridin Derivatives
Release Data : 2011-11-02
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
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: THE PEPTIDE IS SYNTHETIC FRAGMENT.
Authors : Biela, A., Heine, A., Klebe, G.
Keywords : Serine Protease, Kringle, Disulfide Bonds, Blood Coagulation, Blood Clotting, Convertion of Fibrinogen to Fibrin, Cleavage on Pairs of Basic Residues, Thrombin Inhibitor, Glycosylation, HYDROLASE-HYDROLASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 1.43 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

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 : -