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Fluorine in PDB 6vtn: Crystal Structure of Plasmodium Falciparum Dihydroorotate Dehydrogenase Bound with Inhibitor DSM557
Enzymatic activity of Crystal Structure of Plasmodium Falciparum Dihydroorotate Dehydrogenase Bound with Inhibitor DSM557
All present enzymatic activity of Crystal Structure of Plasmodium Falciparum Dihydroorotate Dehydrogenase Bound with Inhibitor DSM557:
1.3.5.2;
1.3.5.2;
Protein crystallography data
The structure of Crystal Structure of Plasmodium Falciparum Dihydroorotate Dehydrogenase Bound with Inhibitor DSM557, PDB code: 6vtn
was solved by
X.Deng,
M.Phillips,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 42.38 / 2.25 |
| Space group | P 64 |
| Cell size a, b, c (Å), α, β, γ (°) | 84.751, 84.751, 137.959, 90.00, 90.00, 120.00 |
| R / Rfree (%) | 20.2 / 21.9 |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of Plasmodium Falciparum Dihydroorotate Dehydrogenase Bound with Inhibitor DSM557
(pdb code 6vtn). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Crystal Structure of Plasmodium Falciparum Dihydroorotate Dehydrogenase Bound with Inhibitor DSM557, PDB code: 6vtn:
Jump to Fluorine binding site number: 1; 2; 3; 4;
In total 4 binding sites of Fluorine where determined in the Crystal Structure of Plasmodium Falciparum Dihydroorotate Dehydrogenase Bound with Inhibitor DSM557, PDB code: 6vtn:
Jump to Fluorine binding site number: 1; 2; 3; 4;
Fluorine binding site 1 out of 4 in 6vtn
Go back to
Fluorine Binding Sites List in 6vtn
Fluorine binding site 1 out
of 4 in the Crystal Structure of Plasmodium Falciparum Dihydroorotate Dehydrogenase Bound with Inhibitor DSM557
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 Crystal Structure of Plasmodium Falciparum Dihydroorotate Dehydrogenase Bound with Inhibitor DSM557 within 5.0Å range:
|
Fluorine binding site 2 out of 4 in 6vtn
Go back to
Fluorine Binding Sites List in 6vtn
Fluorine binding site 2 out
of 4 in the Crystal Structure of Plasmodium Falciparum Dihydroorotate Dehydrogenase Bound with Inhibitor DSM557
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 Crystal Structure of Plasmodium Falciparum Dihydroorotate Dehydrogenase Bound with Inhibitor DSM557 within 5.0Å range:
|
Fluorine binding site 3 out of 4 in 6vtn
Go back to
Fluorine Binding Sites List in 6vtn
Fluorine binding site 3 out
of 4 in the Crystal Structure of Plasmodium Falciparum Dihydroorotate Dehydrogenase Bound with Inhibitor DSM557
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 Crystal Structure of Plasmodium Falciparum Dihydroorotate Dehydrogenase Bound with Inhibitor DSM557 within 5.0Å range:
|
Fluorine binding site 4 out of 4 in 6vtn
Go back to
Fluorine Binding Sites List in 6vtn
Fluorine binding site 4 out
of 4 in the Crystal Structure of Plasmodium Falciparum Dihydroorotate Dehydrogenase Bound with Inhibitor DSM557
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 4 of Crystal Structure of Plasmodium Falciparum Dihydroorotate Dehydrogenase Bound with Inhibitor DSM557 within 5.0Å range:
|
Reference:
S.Kokkonda,
X.Deng,
K.L.White,
F.El Mazouni,
J.White,
D.M.Shackleford,
K.Katneni,
F.C.K.Chiu,
H.Barker,
J.Mclaren,
E.Crighton,
G.Chen,
I.Angulo-Barturen,
M.B.Jimenez-Diaz,
S.Ferrer,
L.H.Valentin,
M.S.Martinez-Martinez,
M.J.Lafuente-Monasterio,
C.R.Kumar,
S.P.Shahi,
S.Wittlin,
D.Waterson,
J.N.Burrows,
D.Matthews,
D.R.Tomchick,
P.K.Rathod,
M.J.Palmer,
S.A.Charman,
M.A.Phillips.
Lead Optimization of A Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series For the Treatment of Malaria. J.Med.Chem. 2020.
ISSN: ISSN 0022-2623
PubMed: 32248693
DOI: 10.1021/ACS.JMEDCHEM.0C00311
Page generated: Fri Aug 2 03:15:16 2024
ISSN: ISSN 0022-2623
PubMed: 32248693
DOI: 10.1021/ACS.JMEDCHEM.0C00311
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