3TU7
Human alpha-thrombin complexed with N-(methylsulfonyl)-D-phenylalanyl-N-((1-carbamimidoyl-4-piperidinyl)methyl)-l-prolinamide (BMS-189664)
Summary for 3TU7
Entry DOI | 10.2210/pdb3tu7/pdb |
Related PRD ID | PRD_000811 |
Descriptor | Prothrombin, Hirudin variant-2, N-(methylsulfonyl)-D-phenylalanyl-N-[(1-carbamimidoylpiperidin-4-yl)methyl]-L-prolinamide, ... (5 entities in total) |
Functional Keywords | serine protease, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor |
Biological source | Homo sapiens (human) More |
Cellular location | Secreted, extracellular space: P00734 P00734 Secreted: P09945 |
Total number of polymer chains | 3 |
Total formula weight | 35903.86 |
Authors | Malley, M.,Sack, J.S. (deposition date: 2011-09-16, release date: 2011-10-12, Last modification date: 2012-12-12) |
Primary citation | Das, J.,Kimball, S.D.,Hall, S.E.,Han, W.C.,Iwanowicz, E.,Lin, J.,Moquin, R.V.,Reid, J.A.,Sack, J.S.,Malley, M.F.,Chang, C.Y.,Chong, S.,Wang-Iverson, D.B.,Roberts, D.G.,Seiler, S.M.,Schumacher, W.A.,Ogletree, M.L. Molecular design and structure-activity relationships leading to the potent, selective, and orally active thrombin active site inhibitor BMS-189664. Bioorg.Med.Chem.Lett., 12:45-49, 2002 Cited by PubMed: 11738570PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.49 Å) |
Structure validation
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