6T89

Thrombin in complex with (S)-N-(tert-butyl)-4-(3-(3-carbamimidoylphenyl)-2-((2',4'-dimethoxy-[1,1'-biphenyl])-3-sulfonamido)propanoyl)piperazine-1-carboxamide (MI-498)

Summary for 6T89

• Entry DOI: 10.2210/pdb6t89/pdb
• Descriptor: Prothrombin, Hirudin variant-2, 4-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-(4-methoxy-2-oxidanyl-phenyl)phenyl]sulfonylamino]propanoyl]-~{N}-methyl-piperazine-1-carboxamide, ... (8 entities in total)
• Functional Keywords: coagulation, blood clotting, convertion of fibrinogen to fibrin, blood clotting inhibitor, thrombin inhibitor, preorganization, glycosylation, blood, hydrolase
• Biological source: Homo sapiens (Human); More
• Total number of polymer chains: 3
• Total formula weight: 36365.34

Authors

Ngaha, S.A.,Sandner, A.,Huber, S.,Heine, A.,Steinmetzer, T.,Pilgram, O. (deposition date: 2019-10-24, release date: 2020-11-18, Last modification date: 2024-01-24)

• Primary citation: Pilgram, O.,Keils, A.,Benary, G.E.,Muller, J.,Merkl, S.,Ngaha, S.,Huber, S.,Chevillard, F.,Harbig, A.,Magdolen, V.,Heine, A.,Bottcher-Friebertshauser, E.,Steinmetzer, T.; Improving the selectivity of 3-amidinophenylalanine-derived matriptase inhibitors; Eur.J.Med.Chem., :114437-, 2022; DOI: 10.1016/j.ejmech.2022.114437

Experimental method

X-RAY DIFFRACTION (2 Å)