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Fluorine in PDB 2cn0: Complex of Recombinant Human Thrombin with A Designed Inhibitor
Enzymatic activity of Complex of Recombinant Human Thrombin with A Designed Inhibitor
All present enzymatic activity of Complex of Recombinant Human Thrombin with A Designed Inhibitor:
3.4.21.5;
3.4.21.5;
Protein crystallography data
The structure of Complex of Recombinant Human Thrombin with A Designed Inhibitor, PDB code: 2cn0
was solved by
A.Hoffmann-Roder,
E.Schweizer,
J.Egger,
P.Seiler,
U.Obst-Sander,
B.Wagner,
M.Kansy,
D.W.Banner,
F.Diederich,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 71.43 / 1.30 |
| Space group | C 1 2 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 70.640, 71.410, 72.520, 90.00, 100.35, 90.00 |
| R / Rfree (%) | 18.4 / 20.4 |
Other elements in 2cn0:
The structure of Complex of Recombinant Human Thrombin with A Designed Inhibitor also contains other interesting chemical elements:
| Calcium | (Ca) | 1 atom |
| Sodium | (Na) | 1 atom |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Complex of Recombinant Human Thrombin with A Designed Inhibitor
(pdb code 2cn0). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Complex of Recombinant Human Thrombin with A Designed Inhibitor, PDB code: 2cn0:
Jump to Fluorine binding site number: 1; 2; 3;
In total 3 binding sites of Fluorine where determined in the Complex of Recombinant Human Thrombin with A Designed Inhibitor, PDB code: 2cn0:
Jump to Fluorine binding site number: 1; 2; 3;
Fluorine binding site 1 out of 3 in 2cn0
Go back to
Fluorine Binding Sites List in 2cn0
Fluorine binding site 1 out
of 3 in the Complex of Recombinant Human Thrombin with A Designed Inhibitor
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Complex of Recombinant Human Thrombin with A Designed Inhibitor within 5.0Å range:
|
Fluorine binding site 2 out of 3 in 2cn0
Go back to
Fluorine Binding Sites List in 2cn0
Fluorine binding site 2 out
of 3 in the Complex of Recombinant Human Thrombin with A Designed Inhibitor
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Complex of Recombinant Human Thrombin with A Designed Inhibitor within 5.0Å range:
|
Fluorine binding site 3 out of 3 in 2cn0
Go back to
Fluorine Binding Sites List in 2cn0
Fluorine binding site 3 out
of 3 in the Complex of Recombinant Human Thrombin with A Designed Inhibitor
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Complex of Recombinant Human Thrombin with A Designed Inhibitor within 5.0Å range:
|
Reference:
A.Hoffmann-Roder,
E.Schweizer,
J.Egger,
P.Seiler,
U.Obst-Sander,
B.Wagner,
M.Kansy,
D.W.Banner,
F.Diederich.
Mapping the Fluorophilicity of A Hydrophobic Pocket: Synthesis and Biological Evaluation of Tricyclic Thrombin Inhibitors Directing Fluorinated Alkyl Groups Into the P Pocket Chemmedchem V. 1 1205 2006.
ISSN: ISSN 1860-7179
PubMed: 17001711
DOI: 10.1002/CMDC.200600124
Page generated: Sun Dec 13 11:35:28 2020
ISSN: ISSN 1860-7179
PubMed: 17001711
DOI: 10.1002/CMDC.200600124
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