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Fluorine in PDB 4i9n: Crystal Structure of Rabbit Ldha in Complex with AP28161 and AP28122
Enzymatic activity of Crystal Structure of Rabbit Ldha in Complex with AP28161 and AP28122
All present enzymatic activity of Crystal Structure of Rabbit Ldha in Complex with AP28161 and AP28122:
1.1.1.27;
1.1.1.27;
Protein crystallography data
The structure of Crystal Structure of Rabbit Ldha in Complex with AP28161 and AP28122, PDB code: 4i9n
was solved by
T.Zhou,
A.Kohlmann,
Z.G.Stephan,
F.Li,
L.Commodore,
M.T.Greenfield,
W.C.Shakespeare,
X.Zhu,
D.C.Dalgarno,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 50.00 / 2.35 |
| Space group | P 1 21 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 84.040, 139.815, 138.934, 90.00, 94.57, 90.00 |
| R / Rfree (%) | 22 / 26.4 |
Other elements in 4i9n:
The structure of Crystal Structure of Rabbit Ldha in Complex with AP28161 and AP28122 also contains other interesting chemical elements:
| Chlorine | (Cl) | 8 atoms |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of Rabbit Ldha in Complex with AP28161 and AP28122
(pdb code 4i9n). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 8 binding sites of Fluorine where determined in the Crystal Structure of Rabbit Ldha in Complex with AP28161 and AP28122, PDB code: 4i9n:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;
In total 8 binding sites of Fluorine where determined in the Crystal Structure of Rabbit Ldha in Complex with AP28161 and AP28122, PDB code: 4i9n:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;
Fluorine binding site 1 out of 8 in 4i9n
Go back to
Fluorine Binding Sites List in 4i9n
Fluorine binding site 1 out
of 8 in the Crystal Structure of Rabbit Ldha in Complex with AP28161 and AP28122
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 Rabbit Ldha in Complex with AP28161 and AP28122 within 5.0Å range:
|
Fluorine binding site 2 out of 8 in 4i9n
Go back to
Fluorine Binding Sites List in 4i9n
Fluorine binding site 2 out
of 8 in the Crystal Structure of Rabbit Ldha in Complex with AP28161 and AP28122
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 Rabbit Ldha in Complex with AP28161 and AP28122 within 5.0Å range:
|
Fluorine binding site 3 out of 8 in 4i9n
Go back to
Fluorine Binding Sites List in 4i9n
Fluorine binding site 3 out
of 8 in the Crystal Structure of Rabbit Ldha in Complex with AP28161 and AP28122
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 Rabbit Ldha in Complex with AP28161 and AP28122 within 5.0Å range:
|
Fluorine binding site 4 out of 8 in 4i9n
Go back to
Fluorine Binding Sites List in 4i9n
Fluorine binding site 4 out
of 8 in the Crystal Structure of Rabbit Ldha in Complex with AP28161 and AP28122
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 Rabbit Ldha in Complex with AP28161 and AP28122 within 5.0Å range:
|
Fluorine binding site 5 out of 8 in 4i9n
Go back to
Fluorine Binding Sites List in 4i9n
Fluorine binding site 5 out
of 8 in the Crystal Structure of Rabbit Ldha in Complex with AP28161 and AP28122
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 5 of Crystal Structure of Rabbit Ldha in Complex with AP28161 and AP28122 within 5.0Å range:
|
Fluorine binding site 6 out of 8 in 4i9n
Go back to
Fluorine Binding Sites List in 4i9n
Fluorine binding site 6 out
of 8 in the Crystal Structure of Rabbit Ldha in Complex with AP28161 and AP28122
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 6 of Crystal Structure of Rabbit Ldha in Complex with AP28161 and AP28122 within 5.0Å range:
|
Fluorine binding site 7 out of 8 in 4i9n
Go back to
Fluorine Binding Sites List in 4i9n
Fluorine binding site 7 out
of 8 in the Crystal Structure of Rabbit Ldha in Complex with AP28161 and AP28122
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 7 of Crystal Structure of Rabbit Ldha in Complex with AP28161 and AP28122 within 5.0Å range:
|
Fluorine binding site 8 out of 8 in 4i9n
Go back to
Fluorine Binding Sites List in 4i9n
Fluorine binding site 8 out
of 8 in the Crystal Structure of Rabbit Ldha in Complex with AP28161 and AP28122
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 8 of Crystal Structure of Rabbit Ldha in Complex with AP28161 and AP28122 within 5.0Å range:
|
Reference:
A.Kohlmann,
S.G.Zech,
F.Li,
T.Zhou,
R.M.Squillace,
L.Commodore,
M.T.Greenfield,
X.Lu,
D.P.Miller,
W.S.Huang,
J.Qi,
R.M.Thomas,
Y.Wang,
S.Zhang,
R.Dodd,
S.Liu,
R.Xu,
Y.Xu,
J.J.Miret,
V.Rivera,
T.Clackson,
W.C.Shakespeare,
X.Zhu,
D.C.Dalgarno.
Fragment Growing and Linking Lead to Novel Nanomolar Lactate Dehydrogenase Inhibitors. J.Med.Chem. V. 56 1023 2013.
ISSN: ISSN 0022-2623
PubMed: 23302067
DOI: 10.1021/JM3014844
Page generated: Thu Aug 1 02:18:45 2024
ISSN: ISSN 0022-2623
PubMed: 23302067
DOI: 10.1021/JM3014844
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