1NT1

thrombin in complex with selective macrocyclic inhibitor

Summary for 1NT1

• Entry DOI: 10.2210/pdb1nt1/pdb
• Related: 1NM6
• Descriptor: thrombin, Hirudin, (6R,21AS)-17-CHLORO-6-CYCLOHEXYL-2,3,6,7,10,11,19,20-OCTAHYDRO-1H,5H-PYRROLO[1,2-K][1,4,8,11,14]BENZOXATETRAAZA-CYCLOHEPTADECINE-5,8,12,21(9H,13H,21AH)-TETRONE, ... (4 entities in total)
• Functional Keywords: thrombin inhibitor complex, blood clotting-hydrolase inhibitor complex, blood clotting/hydrolase inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Secreted, extracellular space: P00734; Secreted: P28504
• Total number of polymer chains: 2
• Total formula weight: 34961.41

Authors

Nantermet, P.G.,Barrow, J.C.,Newton, C.L.,Pellicore, J.M.,Young, M.,Lewis, S.D.,Lucas, B.J.,Krueger, J.A.,McMasters, D.R.,Yan, Y.,Kuo, L.C.,Vacca, J.P.,Selnick, H.G. (deposition date: 2003-01-28, release date: 2003-09-02, Last modification date: 2017-10-11)

• Primary citation: Nantermet, P.G.,Barrow, J.C.,Newton, C.L.,Pellicore, J.M.,Young, M.,Lewis, S.D.,Lucas, B.J.,Krueger, J.A.,McMasters, D.R.,Yan, Y.,Kuo, L.C.,Vacca, J.P.,Selnick, H.G.; Design and synthesis of potent and selective macrocyclic thrombin inhibitors; Bioorg.Med.Chem.Lett., 13:2781-2784, 2003; PubMed: 12873514; DOI: 10.1016/S0960-894X(03)00506-7

Experimental method

X-RAY DIFFRACTION (2 Å)