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Unexpected binding mode of tick anticoagulant peptide complexed to bovine factor Xa.

Abstract：

:The structure of recombinant tick anticoagulant peptide (rTAP) complexed to bovine factor Xa at 3.0 A resolution reveals the structural basis for the specificity and the high affinity of rTAP. Three N-terminal residues, Tyr501, Asn502 and Arg503, play a critical role in the complex formation as suggested by earlier mutagenic studies and the ornithodorin-thrombin complex. Unexpectedly, the side-chain of Tyr501 is located in the S1 pocket, although factor Xa favors arginine as a P1 residue. Arg503 is located at the aryl binding pocket and forms a salt-bridge with Glu97 of factor Xa. The autolysis loop, which is disordered in the uninhibited factor Xa structure, is involved in the formation of the complex as a part of the secondary binding site. The C-terminal helix of rTAP interacts with factor Xa as a secondary binding determinant. The N-terminal residues of rTAP reorganize during the formation of the factor Xa-rTAP complex from the conformation found in the solution into an extended conformation. The presence of the secondary binding site confirms the proposed two-step kinetic mechanism based on the results of a mutagenesis study.

journal_name

J Mol Biol

journal_title

Journal of molecular biology

authors

Wei A,Alexander RS,Duke J,Ross H,Rosenfeld SA,Chang CH

doi

10.1006/jmbi.1998.2069

subject

Has Abstract

pub_date

1998-01-01 00:00:00

pages

147-54

issue

1

eissn

0022-2836

issn

1089-8638

pii

S0022-2836(98)92069-1

journal_volume

283

pub_type

杂志文章

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