Iron in PDB 7jy3: Structure of Hba with Compound 23 (Pf-07059013)
Protein crystallography data
The structure of Structure of Hba with Compound 23 (Pf-07059013), PDB code: 7jy3
was solved by
J.Jasti,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 29.69 / 1.48 |
| Space group | P 1 21 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 53.77, 82.47, 65.08, 90, 99.54, 90 |
| R / Rfree (%) | 18 / 20.7 |
Other elements in 7jy3:
The structure of Structure of Hba with Compound 23 (Pf-07059013) also contains other interesting chemical elements:
| Fluorine | (F) | 2 atoms |
Iron Binding Sites:
The binding sites of Iron atom in the Structure of Hba with Compound 23 (Pf-07059013)
(pdb code 7jy3). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Structure of Hba with Compound 23 (Pf-07059013), PDB code: 7jy3:
Jump to Iron binding site number: 1; 2; 3; 4;
In total 4 binding sites of Iron where determined in the Structure of Hba with Compound 23 (Pf-07059013), PDB code: 7jy3:
Jump to Iron binding site number: 1; 2; 3; 4;
Iron binding site 1 out of 4 in 7jy3
Go back to
Iron Binding Sites List in 7jy3
Iron binding site 1 out
of 4 in the Structure of Hba with Compound 23 (Pf-07059013)
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 Structure of Hba with Compound 23 (Pf-07059013) within 5.0Å range:
|
Iron binding site 2 out of 4 in 7jy3
Go back to
Iron Binding Sites List in 7jy3
Iron binding site 2 out
of 4 in the Structure of Hba with Compound 23 (Pf-07059013)
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 Structure of Hba with Compound 23 (Pf-07059013) within 5.0Å range:
|
Iron binding site 3 out of 4 in 7jy3
Go back to
Iron Binding Sites List in 7jy3
Iron binding site 3 out
of 4 in the Structure of Hba with Compound 23 (Pf-07059013)
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 Structure of Hba with Compound 23 (Pf-07059013) within 5.0Å range:
|
Iron binding site 4 out of 4 in 7jy3
Go back to
Iron Binding Sites List in 7jy3
Iron binding site 4 out
of 4 in the Structure of Hba with Compound 23 (Pf-07059013)
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 Structure of Hba with Compound 23 (Pf-07059013) within 5.0Å range:
|
Reference:
A.Gopalsamy,
A.E.Aulabaugh,
A.Barakat,
K.C.Beaumont,
S.Cabral,
D.P.Canterbury,
A.Casimiro-Garcia,
J.S.Chang,
M.Z.Chen,
C.Choi,
R.L.Dow,
O.O.Fadeyi,
X.Feng,
S.P.France,
R.M.Howard,
J.M.Janz,
J.Jasti,
R.Jasuja,
L.H.Jones,
A.King-Ahmad,
K.M.Knee,
J.T.Kohrt,
C.Limberakis,
S.Liras,
C.A.Martinez,
K.F.Mcclure,
A.Narayanan,
J.Narula,
J.J.Novak,
T.N.O'connell,
M.D.Parikh,
D.W.Piotrowski,
O.Plotnikova,
R.P.Robinson,
P.V.Sahasrabudhe,
R.Sharma,
B.A.Thuma,
D.Vasa,
L.Wei,
A.Z.Wenzel,
J.M.Withka,
J.Xiao,
H.G.Yayla.
Pf-07059013: A Noncovalent Modulator of Hemoglobin For Treatment of Sickle Cell Disease. J.Med.Chem. 2020.
ISSN: ISSN 0022-2623
PubMed: 33356244
DOI: 10.1021/ACS.JMEDCHEM.0C01518
Page generated: Sun Jan 24 17:12:56 2021
ISSN: ISSN 0022-2623
PubMed: 33356244
DOI: 10.1021/ACS.JMEDCHEM.0C01518
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