|
|
| (4 intermediate revisions not shown.) |
| Line 1: |
Line 1: |
| - | [[Image:1kye.gif|left|200px]] | + | #REDIRECT [[3liw]] This PDB entry is obsolete and replaced by 3liw |
| - | | + | |
| - | {{Structure
| + | |
| - | |PDB= 1kye |SIZE=350|CAPTION= <scene name='initialview01'>1kye</scene>, resolution 2.22Å
| + | |
| - | |SITE=
| + | |
| - | |LIGAND= <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene> and <scene name='pdbligand=RUP:(R)-2-(3-ADAMANTAN-1-YL-UREIDO)-3-(3-CARBAMIMIDOYL-PHENYL)-N-PHENETHYL-PROPIONAMIDE'>RUP</scene>
| + | |
| - | |ACTIVITY= [http://en.wikipedia.org/wiki/Coagulation_factor_Xa Coagulation factor Xa], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.6 3.4.21.6]
| + | |
| - | |GENE=
| + | |
| - | }}
| + | |
| - | | + | |
| - | '''Factor Xa in complex with (R)-2-(3-adamantan-1-yl-ureido)-3-(3-carbamimidoyl-phenyl)-N-phenethyl-propionamide'''
| + | |
| - | | + | |
| - | | + | |
| - | ==Overview==
| + | |
| - | A putative non-substrate like binding mode of (R)-3-amidinophenylalanine derivatives to factor Xa, as derived from modeling experiments based on X-ray analysis of their complexes with trypsin, was used to design a new generation of inhibitors. However, the resulting inhibitory potencies were not at all consistent with the working assumption, although with an adamantyl-ureido derivative of (R)-3-amidinophenylalanine phenetyl amide a highly selective nanomolar inhibition of factor Xa was achieved. The X-ray analysis of the complex of this ligand with factor Xa revealed an unexpected new binding mode, of which the most important feature is the interaction of the C-terminal aryl moiety with a hydrophobic subregion of the S1 subsite, while the adamantyl group occupies the hydrophobic S3/S4 subsites of the enzyme.
| + | |
| - | | + | |
| - | ==Disease==
| + | |
| - | Known disease associated with this structure: Factor X deficiency OMIM:[[http://www.ncbi.nlm.nih.gov/entrez/dispomim.cgi?id=227600 227600]]
| + | |
| - | | + | |
| - | ==About this Structure==
| + | |
| - | 1KYE is a [[Protein complex]] structure of sequences from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1KYE OCA].
| + | |
| - | | + | |
| - | ==Reference==
| + | |
| - | (R)-3-Amidinophenylalanine-derived inhibitors of factor Xa with a novel active-site binding mode., Mueller MM, Sperl S, Sturzebecher J, Bode W, Moroder L, Biol Chem. 2002 Jul-Aug;383(7-8):1185-91. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/12437104 12437104]
| + | |
| - | [[Category: Coagulation factor Xa]]
| + | |
| - | [[Category: Homo sapiens]]
| + | |
| - | [[Category: Protein complex]]
| + | |
| - | [[Category: Bode, W.]]
| + | |
| - | [[Category: Moroder, L.]]
| + | |
| - | [[Category: Mueller, M M.]]
| + | |
| - | [[Category: Sperl, S.]]
| + | |
| - | [[Category: Sturzebecher, J.]]
| + | |
| - | [[Category: CA]]
| + | |
| - | [[Category: RUP]]
| + | |
| - | [[Category: coagulation factor inhibitor]]
| + | |
| - | [[Category: factor xa]]
| + | |
| - | | + | |
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 12:23:51 2008''
| + | |
