7PHX

Tsetse thrombin inhibitor in complex with human alpha-thrombin - acid-stable sulfotyrosine analogue

Summary for 7PHX

Entry DOI	10.2210/pdb7phx/pdb
Descriptor	Thrombin light chain, Thrombin heavy chain, Tsetse thrombin inhibitor, ... (6 entities in total)
Functional Keywords	anticoagulant; exosite ii binding; sulfotyrosine sulfonate analogue, blood clotting
Biological source	Homo sapiens (Human) More
Total number of polymer chains	3
Total formula weight	37649.69
Authors	Pereira, P.J.B.,Ripoll-Rozada, J.,Calisto, B.M. (deposition date: 2021-08-18, release date: 2021-10-06, Last modification date: 2024-11-06)
Primary citation	Dowman, L.J.,Agten, S.M.,Ripoll-Rozada, J.,Calisto, B.M.,Pereira, P.J.B.,Payne, R.J. Synthesis and evaluation of peptidic thrombin inhibitors bearing acid-stable sulfotyrosine analogues. Chem.Commun.(Camb.), 57:10923-10926, 2021 Cited by PubMed Abstract: Tyrosine sulfation is an important post-translational modification of peptides and proteins which underpins and modulates many protein-protein interactions. In order to overcome the inherent instability of the native modification, we report the synthesis of two sulfonate analogues and their incorporation into two thrombin-inhibiting sulfopeptides. The effective mimicry of these sulfonate analogues for native sulfotyrosine was validated in the context of their thrombin inhibitory activity and binding mode, as determined by X-ray crystallography. PubMed: 34596182 DOI: 10.1039/d1cc04742f PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.8 Å)

Structure validation