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* Residue conservation analysis
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Enzyme class:
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Chains L, H:
E.C.3.4.21.5
- thrombin.
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Reaction:
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Preferential cleavage: Arg-|-Gly; activates fibrinogen to fibrin and releases fibrinopeptide A and B.
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Angew Chem Int Ed Engl
42:2507-2511
(2003)
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PubMed id:
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A fluorine scan of thrombin inhibitors to map the fluorophilicity/fluorophobicity of an enzyme active site: evidence for C-F...C=O interactions.
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J.A.Olsen,
D.W.Banner,
P.Seiler,
U.Obst Sander,
A.D'Arcy,
M.Stihle,
K.Müller,
F.Diederich.
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ABSTRACT
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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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M.Saito,
K.Miyamoto,
and
M.Ochiai
(2011).
Hypervalent phenyl-λ(3)-iodane-mediated para-selective aromatic fluorination of 3-phenylpropyl ethers.
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Chem Commun (Camb),
47,
3410-3412.
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S.Fustero,
V.Rodrigo,
M.Sánchez-Roselló,
C.del Pozo,
J.Timoneda,
M.Frizler,
M.T.Sisay,
J.Bajorath,
L.P.Calle,
F.J.Cañada,
J.Jiménez-Barbero,
and
M.Gütschow
(2011).
New cathepsin inhibitors to explore the fluorophilic properties of the S2 pocket of cathepsin B: design, synthesis, and biological evaluation.
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Chemistry,
17,
5256-5260.
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A.Vulpetti,
N.Schiering,
and
C.Dalvit
(2010).
Combined use of computational chemistry, NMR screening, and X-ray crystallography for identification and characterization of fluorophilic protein environments.
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Proteins,
78,
3281-3291.
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PDB codes:
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A.Caravano,
R.A.Field,
J.M.Percy,
G.Rinaudo,
R.Roig,
and
K.Singh
(2009).
Developing an asymmetric, stereodivergent route to selected 6-deoxy-6-fluoro-hexoses.
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Org Biomol Chem,
7,
996.
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P.Restorp,
O.B.Berryman,
A.C.Sather,
D.Ajami,
and
J.Rebek
(2009).
A synthetic receptor for hydrogen-bonding to fluorines of trifluoroborates.
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Chem Commun (Camb),
(),
5692-5694.
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S.A.Allman,
H.H.Jensen,
B.Vijayakrishnan,
J.A.Garnett,
E.Leon,
Y.Liu,
D.C.Anthony,
N.R.Sibson,
T.Feizi,
S.Matthews,
and
B.G.Davis
(2009).
Potent fluoro-oligosaccharide probes of adhesion in Toxoplasmosis.
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Chembiochem,
10,
2522-2529.
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H.Kopitz,
A.Zivković,
J.W.Engels,
and
H.Gohlke
(2008).
Determinants of the unexpected stability of RNA fluorobenzene self pairs.
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Chembiochem,
9,
2619-2622.
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M.C.Chan
(2008).
Weak attractive ligand-polymer and related interactions in catalysis and reactivity: impact, applications, and modeling.
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Chem Asian J,
3,
18-27.
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K.Müller,
C.Faeh,
and
F.Diederich
(2007).
Fluorine in pharmaceuticals: looking beyond intuition.
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Science,
317,
1881-1886.
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PDB codes:
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V.M.Krishnamurthy,
B.R.Bohall,
C.Y.Kim,
D.T.Moustakas,
D.W.Christianson,
and
G.M.Whitesides
(2007).
Thermodynamic parameters for the association of fluorinated benzenesulfonamides with bovine carbonic anhydrase II.
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Chem Asian J,
2,
94.
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D.M.Smith,
and
K.A.Woerpel
(2006).
Electrostatic interactions in cations and their importance in biology and chemistry.
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Org Biomol Chem,
4,
1195-1201.
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M.C.Chan,
S.C.Kui,
J.M.Cole,
G.J.McIntyre,
S.Matsui,
N.Zhu,
and
K.H.Tam
(2006).
Neutron and X-ray diffraction and spectroscopic investigations of intramolecular [C-H...F-C] contacts in post-metallocene polyolefin catalysts: modeling weak attractive polymer-ligand interactions.
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Chemistry,
12,
2607-2619.
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G.Schneider,
and
U.Fechner
(2005).
Computer-based de novo design of drug-like molecules.
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Nat Rev Drug Discov,
4,
649-663.
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H.J.Böhm,
D.Banner,
S.Bendels,
M.Kansy,
B.Kuhn,
K.Müller,
U.Obst-Sander,
and
M.Stahl
(2004).
Fluorine in medicinal chemistry.
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Chembiochem,
5,
637-643.
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J.A.Olsen,
D.W.Banner,
P.Seiler,
B.Wagner,
T.Tschopp,
U.Obst-Sander,
M.Kansy,
K.Müller,
and
F.Diederich
(2004).
Fluorine interactions at the thrombin active site: protein backbone fragments H-C(alpha)-C=O comprise a favorable C-F environment and interactions of C-F with electrophiles.
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Chembiochem,
5,
666-675.
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J.C.Biffinger,
H.W.Kim,
and
S.G.DiMagno
(2004).
The polar hydrophobicity of fluorinated compounds.
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Chembiochem,
5,
622-627.
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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.
Where a reference describes a PDB structure, the PDB
codes are
shown on the right.
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Links
