Brand  (β version)

PDB ID: 4E7R

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Ligands
Code Name Style Show Link
0NW 3-[(2s)-3-[4-(2-aminoethyl)piperidin-1-yl]-2-{[(2',4'-dichlorobiphenyl-3-yl)sulfonyl]amino}-3-oxopropyl]benzenecarboximidamide PoSSuM
NA Sodium ion PoSSuM
PO4 Phosphate ion PoSSuM
GOL Glycerol 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 : 4E7R   PDBj   RCSB PDB   PDBe
Header : HYDROLASE/HYDROLASE INHIBITOR
Title : Thrombin in complex with 3-amidinophenylalanine inhibitor
Release Data : 2012-06-20
Compound :
mol_id molecule chains
1 Thrombin light chain L,M
ec: 3.4.21.5
mol_id molecule chains
2 Thrombin heavy chain H,G
ec: 3.4.21.5
mol_id molecule chains
3 Hirudin variant-2 I,J
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 construct
Authors : Ruehmann, E., Heine, A., Klebe, G.
Keywords : HYDROLASE-HYDROLASE INHIBITOR COMPLEX, SERINE PROTEASE, KRINGLE, HYDROLASE, BLOOD COAGULATION, BLOOD CLOTTING, CONVERTION OF FIBRINOGEN TO FIBRIN, BLOOD CLOTTING INHIBITOR, THROMBIN INHIBITOR, GLYCOSYLATION, BLOOD
Exp. method : X-RAY DIFFRACTION ( 2.25 Å )
Citation :

New 3-amidinophenylalanine-derived inhibitors of matriptase

Hammami, M.,Ruehmann, E.,Mauerer, M.  et al.
(2012)  MEDCHEMCOMM  3 : 807 - 813

DOI: 10.1039/C2MD20074K

Reaction

Chain : H, G
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, J
UniProt : P09945 (HIRV2_HIRME)
Reaction : -