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Bromine in PDB 2wpf: Trypanosoma Brucei Trypanothione Reductase in Complex with 3,4- Dihydroquinazoline Inhibitor (DDD00085762)
Enzymatic activity of Trypanosoma Brucei Trypanothione Reductase in Complex with 3,4- Dihydroquinazoline Inhibitor (DDD00085762)
All present enzymatic activity of Trypanosoma Brucei Trypanothione Reductase in Complex with 3,4- Dihydroquinazoline Inhibitor (DDD00085762):
1.8.1.12;
1.8.1.12;
Protein crystallography data
The structure of Trypanosoma Brucei Trypanothione Reductase in Complex with 3,4- Dihydroquinazoline Inhibitor (DDD00085762), PDB code: 2wpf
was solved by
M.S.Alphey,
S.Patterson,
A.H.Fairlamb,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 19.89 / 1.90 |
| Space group | P 1 21 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 99.820, 62.760, 167.440, 90.00, 98.13, 90.00 |
| R / Rfree (%) | 18.5 / 24.7 |
Other elements in 2wpf:
The structure of Trypanosoma Brucei Trypanothione Reductase in Complex with 3,4- Dihydroquinazoline Inhibitor (DDD00085762) also contains other interesting chemical elements:
| Chlorine | (Cl) | 11 atoms |
Bromine Binding Sites:
The binding sites of Bromine atom in the Trypanosoma Brucei Trypanothione Reductase in Complex with 3,4- Dihydroquinazoline Inhibitor (DDD00085762)
(pdb code 2wpf). This binding sites where shown within
5.0 Angstroms radius around Bromine atom.
In total 3 binding sites of Bromine where determined in the Trypanosoma Brucei Trypanothione Reductase in Complex with 3,4- Dihydroquinazoline Inhibitor (DDD00085762), PDB code: 2wpf:
Jump to Bromine binding site number: 1; 2; 3;
In total 3 binding sites of Bromine where determined in the Trypanosoma Brucei Trypanothione Reductase in Complex with 3,4- Dihydroquinazoline Inhibitor (DDD00085762), PDB code: 2wpf:
Jump to Bromine binding site number: 1; 2; 3;
Bromine binding site 1 out of 3 in 2wpf
Go back to
Bromine Binding Sites List in 2wpf
Bromine binding site 1 out
of 3 in the Trypanosoma Brucei Trypanothione Reductase in Complex with 3,4- Dihydroquinazoline Inhibitor (DDD00085762)
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Bromine with other atoms in the Br binding
site number 1 of Trypanosoma Brucei Trypanothione Reductase in Complex with 3,4- Dihydroquinazoline Inhibitor (DDD00085762) within 5.0Å range:
|
Bromine binding site 2 out of 3 in 2wpf
Go back to
Bromine Binding Sites List in 2wpf
Bromine binding site 2 out
of 3 in the Trypanosoma Brucei Trypanothione Reductase in Complex with 3,4- Dihydroquinazoline Inhibitor (DDD00085762)
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Bromine with other atoms in the Br binding
site number 2 of Trypanosoma Brucei Trypanothione Reductase in Complex with 3,4- Dihydroquinazoline Inhibitor (DDD00085762) within 5.0Å range:
|
Bromine binding site 3 out of 3 in 2wpf
Go back to
Bromine Binding Sites List in 2wpf
Bromine binding site 3 out
of 3 in the Trypanosoma Brucei Trypanothione Reductase in Complex with 3,4- Dihydroquinazoline Inhibitor (DDD00085762)
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Bromine with other atoms in the Br binding
site number 3 of Trypanosoma Brucei Trypanothione Reductase in Complex with 3,4- Dihydroquinazoline Inhibitor (DDD00085762) within 5.0Å range:
|
Reference:
S.Patterson,
M.S.Alphey,
D.C.Jones,
E.J.Shanks,
I.P.Street,
J.A.Frearson,
P.G.Wyatt,
I.H.Gilbert,
A.H.Fairlamb.
Dihydroquinazolines As A Novel Class of Trypanosoma Brucei Trypanothione Reductase Inhibitors: Discovery, Synthesis, and Characterization of Their Binding Mode By Protein Crystallography. J.Med.Chem. V. 54 6514 2011.
ISSN: ISSN 0022-2623
PubMed: 21851087
DOI: 10.1021/JM200312V
Page generated: Wed Jul 10 18:53:45 2024
ISSN: ISSN 0022-2623
PubMed: 21851087
DOI: 10.1021/JM200312V
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