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142 a.a.
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254 a.a.
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195 a.a.
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* Residue conservation analysis
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PDB id:
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Hydrolase
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Title:
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Crystal structure of a ternary complex of factor viia/tissue and 2-[[6-[3-(aminoiminomethyl)phenoxy]-3,5-difluro-4-[(1-m phenylpropyl)amino]-2-pyridinyl]oxy]-benzoic acid
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Structure:
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Coagulation factor vii. Chain: l. Fragment: light chain. Synonym: serum prothrombin conversion accelerator, spca, proconvertin, eptacog alfa. Engineered: yes. Coagulation factor vii. Chain: h. Fragment: heavy chain.
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Source:
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Homo sapiens. Human. Organism_taxid: 9606. Gene: f7. Expressed in: cricetulus griseus. Expression_system_taxid: 10029. Expression_system_organ: kidney. Gene: f3. Expressed in: saccharomyces cerevisiae.
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Biol. unit:
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Trimer (from
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Resolution:
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2.52Å
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R-factor:
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0.199
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R-free:
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0.297
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Authors:
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M.Adler,M.Whitlow
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Key ref:
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J.T.Kohrt
et al.
(2005).
The discovery of fluoropyridine-based inhibitors of the Factor VIIa/TF complex.
Bioorg Med Chem Lett,
15,
4752-4756.
PubMed id:
DOI:
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Date:
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22-Jul-05
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Release date:
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01-Aug-06
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PROCHECK
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Headers
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References
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P08709
(FA7_HUMAN) -
Coagulation factor VII
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Seq:
Struc:
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466 a.a.
142 a.a.*
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Enzyme class:
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Chains L, H:
E.C.3.4.21.21
- Coagulation factor VIIa.
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Reaction:
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Hydrolyzes one Arg-|-Ile bond in factor X to form factor Xa.
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Gene Ontology (GO) functional annotation
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Cellular component
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extracellular region
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2 terms
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Biological process
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blood coagulation
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2 terms
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Biochemical function
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catalytic activity
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4 terms
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DOI no:
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Bioorg Med Chem Lett
15:4752-4756
(2005)
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PubMed id:
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The discovery of fluoropyridine-based inhibitors of the Factor VIIa/TF complex.
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J.T.Kohrt,
K.J.Filipski,
W.L.Cody,
C.Cai,
D.A.Dudley,
C.A.Van Huis,
J.A.Willardsen,
S.T.Rapundalo,
K.Saiya-Cork,
R.J.Leadley,
L.Narasimhan,
E.Zhang,
M.Whitlow,
M.Adler,
K.McLean,
Y.L.Chou,
C.McKnight,
D.O.Arnaiz,
K.J.Shaw,
D.R.Light,
J.J.Edmunds.
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ABSTRACT
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The activated Factor VII/tissue factor complex (FVIIa/TF) plays a key role in
the formation of blood clots. Inhibition of this complex may lead to new
antithrombotic drugs. An X-ray crystal structure of a fluoropyridine-based
FVIIa/TF inhibitor bound in the active site of the enzyme complex suggested that
incorporation of substitution at the 5-position of the hydroxybenzoic acid side
chain could lead to the formation of more potent inhibitors through interactions
with the S1'/S2' pocket.
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Literature references that cite this PDB file's key reference
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PubMed id
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Reference
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R.Krishnan,
P.L.Kotian,
P.Chand,
S.Bantia,
S.Rowland,
and
Y.S.Babu
(2007).
Probing the S2 site of factor VIIa to generate potent and selective inhibitors: the structure of BCX-3607 in complex with tissue factor-factor VIIa.
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Acta Crystallogr D Biol Crystallogr, 63,
689-697.
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The most recent references are shown first.
Citation data come partly from CiteXplore and partly
from an automated harvesting procedure. Note that this is likely to be
only a partial list as not all journals are covered by
either method. However, we are continually building up the citation data
so more and more references will be included with time.
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