Iron in PDB 5urc: Design, Synthesis, Functional and Biological Evaluation of Ether and Ester Derivatives of the Antisickling Agent 5-Hmf For the Treatment of Sickle Cell Disease
Protein crystallography data
The structure of Design, Synthesis, Functional and Biological Evaluation of Ether and Ester Derivatives of the Antisickling Agent 5-Hmf For the Treatment of Sickle Cell Disease, PDB code: 5urc
was solved by
P.P.Pagare,
R.S.Safo,
A.Gazi,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 29.32 / 1.85 |
| Space group | P 21 21 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 62.642, 83.328, 104.954, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 17.9 / 22.3 |
Iron Binding Sites:
The binding sites of Iron atom in the Design, Synthesis, Functional and Biological Evaluation of Ether and Ester Derivatives of the Antisickling Agent 5-Hmf For the Treatment of Sickle Cell Disease
(pdb code 5urc). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Design, Synthesis, Functional and Biological Evaluation of Ether and Ester Derivatives of the Antisickling Agent 5-Hmf For the Treatment of Sickle Cell Disease, PDB code: 5urc:
Jump to Iron binding site number: 1; 2; 3; 4;
In total 4 binding sites of Iron where determined in the Design, Synthesis, Functional and Biological Evaluation of Ether and Ester Derivatives of the Antisickling Agent 5-Hmf For the Treatment of Sickle Cell Disease, PDB code: 5urc:
Jump to Iron binding site number: 1; 2; 3; 4;
Iron binding site 1 out of 4 in 5urc
Go back to
Iron Binding Sites List in 5urc
Iron binding site 1 out
of 4 in the Design, Synthesis, Functional and Biological Evaluation of Ether and Ester Derivatives of the Antisickling Agent 5-Hmf For the Treatment of Sickle Cell Disease
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Design, Synthesis, Functional and Biological Evaluation of Ether and Ester Derivatives of the Antisickling Agent 5-Hmf For the Treatment of Sickle Cell Disease within 5.0Å range:
|
Iron binding site 2 out of 4 in 5urc
Go back to
Iron Binding Sites List in 5urc
Iron binding site 2 out
of 4 in the Design, Synthesis, Functional and Biological Evaluation of Ether and Ester Derivatives of the Antisickling Agent 5-Hmf For the Treatment of Sickle Cell Disease
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Design, Synthesis, Functional and Biological Evaluation of Ether and Ester Derivatives of the Antisickling Agent 5-Hmf For the Treatment of Sickle Cell Disease within 5.0Å range:
|
Iron binding site 3 out of 4 in 5urc
Go back to
Iron Binding Sites List in 5urc
Iron binding site 3 out
of 4 in the Design, Synthesis, Functional and Biological Evaluation of Ether and Ester Derivatives of the Antisickling Agent 5-Hmf For the Treatment of Sickle Cell Disease
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Design, Synthesis, Functional and Biological Evaluation of Ether and Ester Derivatives of the Antisickling Agent 5-Hmf For the Treatment of Sickle Cell Disease within 5.0Å range:
|
Iron binding site 4 out of 4 in 5urc
Go back to
Iron Binding Sites List in 5urc
Iron binding site 4 out
of 4 in the Design, Synthesis, Functional and Biological Evaluation of Ether and Ester Derivatives of the Antisickling Agent 5-Hmf For the Treatment of Sickle Cell Disease
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Design, Synthesis, Functional and Biological Evaluation of Ether and Ester Derivatives of the Antisickling Agent 5-Hmf For the Treatment of Sickle Cell Disease within 5.0Å range:
|
Reference:
G.G.Xu,
P.P.Pagare,
M.S.Ghatge,
R.P.Safo,
A.Gazi,
Q.Chen,
T.David,
A.B.Alabbas,
F.N.Musayev,
J.Venitz,
Y.Zhang,
M.K.Safo,
O.Abdulmalik.
Design, Synthesis, and Biological Evaluation of Ester and Ether Derivatives of Antisickling Agent 5-Hmf For the Treatment of Sickle Cell Disease. Mol. Pharm. V. 14 3499 2017.
ISSN: ESSN 1543-8392
PubMed: 28858508
DOI: 10.1021/ACS.MOLPHARMACEUT.7B00553
Page generated: Sun Dec 13 16:13:54 2020
ISSN: ESSN 1543-8392
PubMed: 28858508
DOI: 10.1021/ACS.MOLPHARMACEUT.7B00553
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