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1fax
From Proteopedia
| 1fax, resolution 3.00Å () | |||||||||
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| Sites: | |||||||||
| Ligands: | , | ||||||||
| Activity: | Coagulation factor Xa, with EC number 3.4.21.6 | ||||||||
| Domains: | Tryp_SPc, EGF_CA, vWA_Matrilin | ||||||||
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| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||||
COAGULATION FACTOR XA INHIBITOR COMPLEX
The 3.0-A resolution x-ray structure of human des-Gla-coagulation factor Xa (fXa) has been determined in complex with the synthetic inhibitor DX-9065a. The binding geometry is characterized primarily by two interaction sites: the naphthamidine group is fixed in the S1 pocket by a typical salt bridge to Asp-189, while the pyrrolidine ring binds in the unique aryl-binding site (S4) of fXa. Unlike the large majority of inhibitor complexes with serine proteinases, Gly-216 (S3) does not contribute to hydrogen bond formation. In contrast to typical thrombin binding modes, the S2 site of fXa cannot be used by DX-9065a since it is blocked by Tyr-99, and the aryl-binding site (S4) of fXa is lined by carbonyl oxygen atoms that can accommodate positive charges. This has implications for natural substrate recognition as well as for drug design.
X-ray structure of active site-inhibited clotting factor Xa. Implications for drug design and substrate recognition., Brandstetter H, Kuhne A, Bode W, Huber R, von der Saal W, Wirthensohn K, Engh RA, J Biol Chem. 1996 Nov 22;271(47):29988-92. PMID:8939944
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.
About this Structure
1FAX is a 2 chains structure of sequences from Homo sapiens. Full crystallographic information is available from OCA.
Reference
- Brandstetter H, Kuhne A, Bode W, Huber R, von der Saal W, Wirthensohn K, Engh RA. X-ray structure of active site-inhibited clotting factor Xa. Implications for drug design and substrate recognition. J Biol Chem. 1996 Nov 22;271(47):29988-92. PMID:8939944
Page seeded by OCA on Mon Feb 16 20:16:42 2009
