Chlorine »
PDB 3lcc-3lnj »
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Chlorine in PDB 3ln0: Structure of Compound 5C-S Bound at the Active Site of Cox-2
Enzymatic activity of Structure of Compound 5C-S Bound at the Active Site of Cox-2
All present enzymatic activity of Structure of Compound 5C-S Bound at the Active Site of Cox-2:
1.14.99.1;
1.14.99.1;
Protein crystallography data
The structure of Structure of Compound 5C-S Bound at the Active Site of Cox-2, PDB code: 3ln0
was solved by
J.R.Kiefer,
R.G.Kurumbail,
W.C.Stallings,
J.L.Pawlitz,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 19.96 / 2.20 |
| Space group | P 21 21 2 |
| Cell size a, b, c (Å), α, β, γ (°) | 181.015, 135.201, 124.291, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 20.9 / 23.8 |
Other elements in 3ln0:
The structure of Structure of Compound 5C-S Bound at the Active Site of Cox-2 also contains other interesting chemical elements:
| Fluorine | (F) | 12 atoms |
| Iron | (Fe) | 4 atoms |
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Structure of Compound 5C-S Bound at the Active Site of Cox-2
(pdb code 3ln0). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Structure of Compound 5C-S Bound at the Active Site of Cox-2, PDB code: 3ln0:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;
In total 8 binding sites of Chlorine where determined in the Structure of Compound 5C-S Bound at the Active Site of Cox-2, PDB code: 3ln0:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;
Chlorine binding site 1 out of 8 in 3ln0
Go back to
Chlorine Binding Sites List in 3ln0
Chlorine binding site 1 out
of 8 in the Structure of Compound 5C-S Bound at the Active Site of Cox-2
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Structure of Compound 5C-S Bound at the Active Site of Cox-2 within 5.0Å range:
|
Chlorine binding site 2 out of 8 in 3ln0
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Chlorine Binding Sites List in 3ln0
Chlorine binding site 2 out
of 8 in the Structure of Compound 5C-S Bound at the Active Site of Cox-2
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Structure of Compound 5C-S Bound at the Active Site of Cox-2 within 5.0Å range:
|
Chlorine binding site 3 out of 8 in 3ln0
Go back to
Chlorine Binding Sites List in 3ln0
Chlorine binding site 3 out
of 8 in the Structure of Compound 5C-S Bound at the Active Site of Cox-2
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Structure of Compound 5C-S Bound at the Active Site of Cox-2 within 5.0Å range:
|
Chlorine binding site 4 out of 8 in 3ln0
Go back to
Chlorine Binding Sites List in 3ln0
Chlorine binding site 4 out
of 8 in the Structure of Compound 5C-S Bound at the Active Site of Cox-2
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Structure of Compound 5C-S Bound at the Active Site of Cox-2 within 5.0Å range:
|
Chlorine binding site 5 out of 8 in 3ln0
Go back to
Chlorine Binding Sites List in 3ln0
Chlorine binding site 5 out
of 8 in the Structure of Compound 5C-S Bound at the Active Site of Cox-2
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of Structure of Compound 5C-S Bound at the Active Site of Cox-2 within 5.0Å range:
|
Chlorine binding site 6 out of 8 in 3ln0
Go back to
Chlorine Binding Sites List in 3ln0
Chlorine binding site 6 out
of 8 in the Structure of Compound 5C-S Bound at the Active Site of Cox-2
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of Structure of Compound 5C-S Bound at the Active Site of Cox-2 within 5.0Å range:
|
Chlorine binding site 7 out of 8 in 3ln0
Go back to
Chlorine Binding Sites List in 3ln0
Chlorine binding site 7 out
of 8 in the Structure of Compound 5C-S Bound at the Active Site of Cox-2
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 7 of Structure of Compound 5C-S Bound at the Active Site of Cox-2 within 5.0Å range:
|
Chlorine binding site 8 out of 8 in 3ln0
Go back to
Chlorine Binding Sites List in 3ln0
Chlorine binding site 8 out
of 8 in the Structure of Compound 5C-S Bound at the Active Site of Cox-2
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 8 of Structure of Compound 5C-S Bound at the Active Site of Cox-2 within 5.0Å range:
|
Reference:
J.L.Wang,
D.Limburg,
M.J.Graneto,
J.Springer,
J.R.Hamper,
S.Liao,
J.L.Pawlitz,
R.G.Kurumbail,
T.Maziasz,
J.J.Talley,
J.R.Kiefer,
J.Carter.
The Novel Benzopyran Class of Selective Cyclooxygenase-2 Inhibitors. Part 2: the Second Clinical Candidate Having A Shorter and Favorable Human Half-Life. Bioorg.Med.Chem.Lett. V. 20 7159 2010.
ISSN: ISSN 0960-894X
PubMed: 20709553
DOI: 10.1016/J.BMCL.2010.07.054
Page generated: Sat Jul 20 23:32:15 2024
ISSN: ISSN 0960-894X
PubMed: 20709553
DOI: 10.1016/J.BMCL.2010.07.054
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