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Fluorine in PDB 5w8i: Crystal Structure of Lactate Dehydrogenase A in Complex with Inhibitor Compound 23 and Zinc
Enzymatic activity of Crystal Structure of Lactate Dehydrogenase A in Complex with Inhibitor Compound 23 and Zinc
All present enzymatic activity of Crystal Structure of Lactate Dehydrogenase A in Complex with Inhibitor Compound 23 and Zinc:
1.1.1.27;
1.1.1.27;
Protein crystallography data
The structure of Crystal Structure of Lactate Dehydrogenase A in Complex with Inhibitor Compound 23 and Zinc, PDB code: 5w8i
was solved by
C.M.Lukacs,
J.Abendroth,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 50.00 / 1.95 |
| Space group | C 1 2 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 166.840, 80.430, 119.620, 90.00, 117.73, 90.00 |
| R / Rfree (%) | 14.9 / 18.8 |
Other elements in 5w8i:
The structure of Crystal Structure of Lactate Dehydrogenase A in Complex with Inhibitor Compound 23 and Zinc also contains other interesting chemical elements:
| Zinc | (Zn) | 5 atoms |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of Lactate Dehydrogenase A in Complex with Inhibitor Compound 23 and Zinc
(pdb code 5w8i). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Crystal Structure of Lactate Dehydrogenase A in Complex with Inhibitor Compound 23 and Zinc, PDB code: 5w8i:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;
In total 6 binding sites of Fluorine where determined in the Crystal Structure of Lactate Dehydrogenase A in Complex with Inhibitor Compound 23 and Zinc, PDB code: 5w8i:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;
Fluorine binding site 1 out of 6 in 5w8i
Go back to
Fluorine Binding Sites List in 5w8i
Fluorine binding site 1 out
of 6 in the Crystal Structure of Lactate Dehydrogenase A in Complex with Inhibitor Compound 23 and Zinc
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 Lactate Dehydrogenase A in Complex with Inhibitor Compound 23 and Zinc within 5.0Å range:
|
Fluorine binding site 2 out of 6 in 5w8i
Go back to
Fluorine Binding Sites List in 5w8i
Fluorine binding site 2 out
of 6 in the Crystal Structure of Lactate Dehydrogenase A in Complex with Inhibitor Compound 23 and Zinc
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 Lactate Dehydrogenase A in Complex with Inhibitor Compound 23 and Zinc within 5.0Å range:
|
Fluorine binding site 3 out of 6 in 5w8i
Go back to
Fluorine Binding Sites List in 5w8i
Fluorine binding site 3 out
of 6 in the Crystal Structure of Lactate Dehydrogenase A in Complex with Inhibitor Compound 23 and Zinc
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 Lactate Dehydrogenase A in Complex with Inhibitor Compound 23 and Zinc within 5.0Å range:
|
Fluorine binding site 4 out of 6 in 5w8i
Go back to
Fluorine Binding Sites List in 5w8i
Fluorine binding site 4 out
of 6 in the Crystal Structure of Lactate Dehydrogenase A in Complex with Inhibitor Compound 23 and Zinc
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 Lactate Dehydrogenase A in Complex with Inhibitor Compound 23 and Zinc within 5.0Å range:
|
Fluorine binding site 5 out of 6 in 5w8i
Go back to
Fluorine Binding Sites List in 5w8i
Fluorine binding site 5 out
of 6 in the Crystal Structure of Lactate Dehydrogenase A in Complex with Inhibitor Compound 23 and Zinc
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 Lactate Dehydrogenase A in Complex with Inhibitor Compound 23 and Zinc within 5.0Å range:
|
Fluorine binding site 6 out of 6 in 5w8i
Go back to
Fluorine Binding Sites List in 5w8i
Fluorine binding site 6 out
of 6 in the Crystal Structure of Lactate Dehydrogenase A in Complex with Inhibitor Compound 23 and Zinc
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 Lactate Dehydrogenase A in Complex with Inhibitor Compound 23 and Zinc within 5.0Å range:
|
Reference:
G.Rai,
K.R.Brimacombe,
B.T.Mott,
D.J.Urban,
X.Hu,
S.M.Yang,
T.D.Lee,
D.M.Cheff,
J.Kouznetsova,
G.A.Benavides,
K.Pohida,
E.J.Kuenstner,
D.K.Luci,
C.M.Lukacs,
D.R.Davies,
D.M.Dranow,
H.Zhu,
G.Sulikowski,
W.J.Moore,
G.M.Stott,
A.J.Flint,
M.D.Hall,
V.M.Darley-Usmar,
L.M.Neckers,
C.V.Dang,
A.G.Waterson,
A.Simeonov,
A.Jadhav,
D.J.Maloney.
Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (Ldh). J. Med. Chem. V. 60 9184 2017.
ISSN: ISSN 1520-4804
PubMed: 29120638
DOI: 10.1021/ACS.JMEDCHEM.7B00941
Page generated: Thu Aug 1 16:26:18 2024
ISSN: ISSN 1520-4804
PubMed: 29120638
DOI: 10.1021/ACS.JMEDCHEM.7B00941
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