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Chlorine in PDB 2y81: Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs
Enzymatic activity of Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs
All present enzymatic activity of Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs:
3.4.21.6;
3.4.21.6;
Protein crystallography data
The structure of Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs, PDB code: 2y81
was solved by
R.J.Young,
C.Adams,
M.Blows,
D.Brown,
C.L.Burns-Kurtis,
L.Chaudry,
C.Chan,
M.A.Convery,
D.E.Davies,
A.M.Exall,
G.Foster,
J.D.Harling,
E.Hortense,
W.R.Irving,
S.Irvine,
S.Jackson,
S.Kleanthous,
A.J.Pateman,
A.N.Patikis,
T.J.Roethka,
S.Senger,
G.J.Stelman,
J.R.Toomey,
R.I.West,
C.Whittaker,
P.Zhou,
N.S.Watson,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 20.00 / 1.70 |
| Space group | P 21 21 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 56.665, 72.033, 78.151, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 18.6 / 22.5 |
Other elements in 2y81:
The structure of Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs also contains other interesting chemical elements:
| Fluorine | (F) | 1 atom |
| Calcium | (Ca) | 1 atom |
| Magnesium | (Mg) | 1 atom |
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs
(pdb code 2y81). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs, PDB code: 2y81:
In total only one binding site of Chlorine was determined in the Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs, PDB code: 2y81:
Chlorine binding site 1 out of 1 in 2y81
Go back to
Chlorine Binding Sites List in 2y81
Chlorine binding site 1 out
of 1 in the Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs
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 and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs within 5.0Å range:
|
Reference:
R.J.Young,
C.Adams,
M.Blows,
D.Brown,
C.L.Burns-Kurtis,
C.Chan,
L.Chaudry,
M.A.Convery,
D.E.Davies,
A.M.Exall,
G.Foster,
J.D.Harling,
E.Hortense,
S.Irvine,
W.R.Irving,
S.Jackson,
S.Kleanthous,
A.J.Pateman,
A.N.Patikis,
T.J.Roethka,
S.Senger,
G.J.Stelman,
J.R.Toomey,
R.I.West,
C.Whittaker,
P.Zhou,
N.S.Watson.
Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs. Bioorg.Med.Chem.Lett. V. 21 1582 2011.
ISSN: ISSN 0960-894X
PubMed: 21349710
DOI: 10.1016/J.BMCL.2011.01.131
Page generated: Sat Dec 12 09:28:20 2020
ISSN: ISSN 0960-894X
PubMed: 21349710
DOI: 10.1016/J.BMCL.2011.01.131
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