Brand  (β version)

PDB ID: 1MUE

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Ligands
Code Name Style Show Link
CDD 2-(6-chloro-3-{[2,2-difluoro-2-(1-oxido-2-pyridinyl)ethyl]amino}-2-oxo-1(2h)-pyrazinyl)-N-[(2-fluorophenyl)methyl]acetamide PoSSuM
Non-standard Residues
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TYS O-sulfo-L-tyrosine
Glycosylation
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Structure summary

Code : 1MUE   PDBj   RCSB PDB   PDBe
Header : HYDROLASE INHIBITOR
Title : Thrombin-Hirugen-L405,426
Release Data : 2004-04-06
Compound :
mol_id molecule chains synonym
1 THROMBIN A Coagulation factor II
ec: 3.4.21.5
fragment: light chain
mol_id molecule chains synonym
2 THROMBIN B Coagulation factor II
ec: 3.4.21.5
fragment: heavy chain
mol_id molecule chains
3 HIRUDIN IIB C
Source :
mol_id organism_scientific organism_common
1 Homo sapiens  (taxid:9606) Human
tissue: plasma
mol_id organism_scientific organism_common
2 Homo sapiens  (taxid:9606) Human
tissue: plasma
mol_id organism_scientific
3 Hirudo medicinalis  (taxid:6421)
synthetic: yes
other_details: This peptide was chemically synthesized. It is naturally found in Hirudo medicinalis (Medicinal leech).
Authors : Burgey, C.S., Robinson, K.A., Lyle, T.A., Nantermet, P.G., Selnick, H.G., Isaacs, R.C., Lewis, S.D., Lucas, B.J., Krueger, J.A., Singh, R., Miller-Stein, C., White, R.B., Wong, B., Lyle, E.A., Stranieri, M.T., Cook, J.J., McMasters, D.R., Pellicore, J.M., Pal, S., Wallace, A.A., Clayton, F.C., Bohn, D., Welsh, D.C., Lynch, J.J., Yan, Y., Chen, Z., Kuo, L., Gardell, S.J., Shafer, J.A., Vacca, J.P.
Keywords : alpha thrombin-hirugen, BLOOD CLOTTING COMPLEX, HYDROLASE INHIBITOR COMPLEX, HYDROLASE INHIBITOR
Exp. method : X-RAY DIFFRACTION ( 2.0 Å )
Citation :

Pharmacokinetic optimization of 3-amino-6-chloropyrazinone acetamide thrombin inhibitors. Implementation of P3 pyridine N-oxides to deliver an orally bioavailable series containing P1 N-benzylamides.

Burgey, C.S.,Robinson, K.A.,Lyle, T.A.  et al.
(2003)  Bioorg.Med.Chem.Lett.  13 : 1353 - 1357

PubMed: 12657281
DOI: 10.1016/S0960-894X(03)00099-4

Reaction

Chain : B
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 : C
UniProt : P28506 (HIR2B_HIRME)
Reaction : -