Brand  (β version)

PDB ID: 1A46

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Ligands
Code Name Style Show Link
00K (1s,7s)-7-amino-N-[(2r,3s)-7-amino-1-(cyclohexylamino)-2-hydroxy-1-oxoheptan-3-yl]-7-benzyl-8-oxohexahydro-1h-pyrazolo[1,2-a]pyridazine-1-carboxamide PoSSuM
NA Sodium ion PoSSuM
Non-standard Residues
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TYS O-sulfo-L-tyrosine
Glycosylation
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Structure summary

Code : 1A46   PDBj   RCSB PDB   PDBe
Header : HYDROLASE/HYDROLASE INHIBITOR
Title : THROMBIN COMPLEXED WITH HIRUGEN AND A BETA-STRAND MIMETIC INHIBITOR
Release Data : 1998-05-27
Compound :
mol_id molecule chains
1 ALPHA-THROMBIN (SMALL SUBUNIT) L
ec: 3.4.21.5
mol_id molecule chains
2 ALPHA-THROMBIN (LARGE SUBUNIT) H
ec: 3.4.21.5
mol_id molecule chains
3 HIRUGEN I
Source :
mol_id organism_scientific organism_common
1 Homo sapiens  (taxid:9606) Human
organ: BLOOD
tissue: BLOOD
mol_id organism_scientific organism_common
2 Homo sapiens  (taxid:9606) Human
organ: BLOOD
tissue: BLOOD
mol_id organism_scientific organism_common
3 Hirudo medicinalis  (taxid:6421) Medicinal leech
Authors : St Charles, R., Matthews, J.H., Zhang, E., Tulinsky, A., Kahn, M.
Keywords : COMPLEX (SERINE PROTEASE-INHIBITOR), HYDROLASE-HYDROLASE INHIBITOR COMPLEX
Exp. method : X-RAY DIFFRACTION ( 2.12 Å )
Citation :

Bound structures of novel P3-P1' beta-strand mimetic inhibitors of thrombin.

St Charles, R.,Matthews, J.H.,Zhang, E.  et al.
(1999)  J.Med.Chem.  42 : 1376 - 1383

PubMed: 10212123
DOI: 10.1021/jm980052n

Crystal Structures of Thrombin with Thiazole-Containing Inhibitors: Probes of the S1' Binding Site

Matthews, J.H.,Krishnan, R.,Costanzo, M.J.  et al.
(1996)  Biophys.J.  71 : 2830

The Structure of a Designed Peptidomimetic Inhibitor Complex of Alpha-Thrombin

Wu, T.P.,Yee, V.,Tulinsky, A.  et al.
(1993)  Protein Eng.  6 : 471

Active Site and Exosite Binding of Alpha-Thrombin

Tulinsky, A.,Qiu, X.
(1993)  Blood Coagulation Fibrinolysis  4 : 305

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 : -