Brand  (β version)

PDB ID: 1MU6

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

Code : 1MU6   PDBj   RCSB PDB   PDBe
Header : BLOOD CLOTTING,HYDROLASE/INHIBITOR
Title : Crystal Structure of Thrombin in Complex with L-378,622
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., Sanderson, P.E., Lewis, S.D., Lucas, B.J., Krueger, J.A., Singh, R., Miller-Stein, C., White, R.B., Wong, B., Lyle, E.A., Williams, P.D., Coburn, C.A., Dorsey, B.D., Barrow, J.C., Stranieri, M.T., Holahan, M.A., Sitko, G.R., Cook, J.J., McMasters, D.R., McDonough, C.M., Sanders, W.M., Wallace, A.A., Clayton, F.C., Bohn, D., Leonard, Y.M., Detwiler Jr., T.J., Lynch Jr., J.J., Yan, Y., Chen, Z., Kuo, L., Gardell, S.J., Shafer, J.A., Vacca, J.P.J.
Keywords : HYDROLASE, BLOOD CLOTTING, HYDROLASE-BLOOD CLOTTING COMPLEX, HYDROLASE-HYDROLASE INHIBITOR COMPLEX, HYDROLASE-INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 1.99 Å )
Citation :

Metabolism-directed optimization of 3-aminopyrazinone acetamide thrombin inhibitors. Development of an orally bioavailable series containing P1 and P3 pyridines.

Burgey, C.S.,Robinson, K.A.,Lyle, T.A.  et al.
(2003)  J.Med.Chem.  46 : 461 - 473

PubMed: 12570369
DOI: 10.1021/jm020311f

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 : -