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Chlorine in PDB 4qo8: Lactate Dehydrogenase A in Complex with Substituted 3-Hydroxy-2- Mercaptocyclohex-2-Enone Compound 104
Enzymatic activity of Lactate Dehydrogenase A in Complex with Substituted 3-Hydroxy-2- Mercaptocyclohex-2-Enone Compound 104
All present enzymatic activity of Lactate Dehydrogenase A in Complex with Substituted 3-Hydroxy-2- Mercaptocyclohex-2-Enone Compound 104:
1.1.1.27;
1.1.1.27;
Protein crystallography data
The structure of Lactate Dehydrogenase A in Complex with Substituted 3-Hydroxy-2- Mercaptocyclohex-2-Enone Compound 104, PDB code: 4qo8
was solved by
C.Eigenbrot,
M.Ultsch,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 42.41 / 2.00 |
| Space group | C 1 2 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 168.352, 81.257, 120.760, 90.00, 117.61, 90.00 |
| R / Rfree (%) | 15.7 / 20.4 |
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Lactate Dehydrogenase A in Complex with Substituted 3-Hydroxy-2- Mercaptocyclohex-2-Enone Compound 104
(pdb code 4qo8). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 9 binding sites of Chlorine where determined in the Lactate Dehydrogenase A in Complex with Substituted 3-Hydroxy-2- Mercaptocyclohex-2-Enone Compound 104, PDB code: 4qo8:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;
In total 9 binding sites of Chlorine where determined in the Lactate Dehydrogenase A in Complex with Substituted 3-Hydroxy-2- Mercaptocyclohex-2-Enone Compound 104, PDB code: 4qo8:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;
Chlorine binding site 1 out of 9 in 4qo8
Go back to
Chlorine Binding Sites List in 4qo8
Chlorine binding site 1 out
of 9 in the Lactate Dehydrogenase A in Complex with Substituted 3-Hydroxy-2- Mercaptocyclohex-2-Enone Compound 104
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Lactate Dehydrogenase A in Complex with Substituted 3-Hydroxy-2- Mercaptocyclohex-2-Enone Compound 104 within 5.0Å range:
|
Chlorine binding site 2 out of 9 in 4qo8
Go back to
Chlorine Binding Sites List in 4qo8
Chlorine binding site 2 out
of 9 in the Lactate Dehydrogenase A in Complex with Substituted 3-Hydroxy-2- Mercaptocyclohex-2-Enone Compound 104
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Lactate Dehydrogenase A in Complex with Substituted 3-Hydroxy-2- Mercaptocyclohex-2-Enone Compound 104 within 5.0Å range:
|
Chlorine binding site 3 out of 9 in 4qo8
Go back to
Chlorine Binding Sites List in 4qo8
Chlorine binding site 3 out
of 9 in the Lactate Dehydrogenase A in Complex with Substituted 3-Hydroxy-2- Mercaptocyclohex-2-Enone Compound 104
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Lactate Dehydrogenase A in Complex with Substituted 3-Hydroxy-2- Mercaptocyclohex-2-Enone Compound 104 within 5.0Å range:
|
Chlorine binding site 4 out of 9 in 4qo8
Go back to
Chlorine Binding Sites List in 4qo8
Chlorine binding site 4 out
of 9 in the Lactate Dehydrogenase A in Complex with Substituted 3-Hydroxy-2- Mercaptocyclohex-2-Enone Compound 104
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Lactate Dehydrogenase A in Complex with Substituted 3-Hydroxy-2- Mercaptocyclohex-2-Enone Compound 104 within 5.0Å range:
|
Chlorine binding site 5 out of 9 in 4qo8
Go back to
Chlorine Binding Sites List in 4qo8
Chlorine binding site 5 out
of 9 in the Lactate Dehydrogenase A in Complex with Substituted 3-Hydroxy-2- Mercaptocyclohex-2-Enone Compound 104
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of Lactate Dehydrogenase A in Complex with Substituted 3-Hydroxy-2- Mercaptocyclohex-2-Enone Compound 104 within 5.0Å range:
|
Chlorine binding site 6 out of 9 in 4qo8
Go back to
Chlorine Binding Sites List in 4qo8
Chlorine binding site 6 out
of 9 in the Lactate Dehydrogenase A in Complex with Substituted 3-Hydroxy-2- Mercaptocyclohex-2-Enone Compound 104
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of Lactate Dehydrogenase A in Complex with Substituted 3-Hydroxy-2- Mercaptocyclohex-2-Enone Compound 104 within 5.0Å range:
|
Chlorine binding site 7 out of 9 in 4qo8
Go back to
Chlorine Binding Sites List in 4qo8
Chlorine binding site 7 out
of 9 in the Lactate Dehydrogenase A in Complex with Substituted 3-Hydroxy-2- Mercaptocyclohex-2-Enone Compound 104
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 7 of Lactate Dehydrogenase A in Complex with Substituted 3-Hydroxy-2- Mercaptocyclohex-2-Enone Compound 104 within 5.0Å range:
|
Chlorine binding site 8 out of 9 in 4qo8
Go back to
Chlorine Binding Sites List in 4qo8
Chlorine binding site 8 out
of 9 in the Lactate Dehydrogenase A in Complex with Substituted 3-Hydroxy-2- Mercaptocyclohex-2-Enone Compound 104
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 8 of Lactate Dehydrogenase A in Complex with Substituted 3-Hydroxy-2- Mercaptocyclohex-2-Enone Compound 104 within 5.0Å range:
|
Chlorine binding site 9 out of 9 in 4qo8
Go back to
Chlorine Binding Sites List in 4qo8
Chlorine binding site 9 out
of 9 in the Lactate Dehydrogenase A in Complex with Substituted 3-Hydroxy-2- Mercaptocyclohex-2-Enone Compound 104
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 9 of Lactate Dehydrogenase A in Complex with Substituted 3-Hydroxy-2- Mercaptocyclohex-2-Enone Compound 104 within 5.0Å range:
|
Reference:
P.S.Dragovich,
B.P.Fauber,
J.Boggs,
J.Chen,
L.B.Corson,
C.Z.Ding,
C.Eigenbrot,
H.Ge,
A.M.Giannetti,
T.Hunsaker,
S.Labadie,
C.Li,
Y.Liu,
Y.Liu,
S.Ma,
S.Malek,
D.Peterson,
K.E.Pitts,
H.E.Purkey,
K.Robarge,
L.Salphati,
S.Sideris,
M.Ultsch,
E.Vanderporten,
J.Wang,
B.Wei,
Q.Xu,
I.Yen,
Q.Yue,
H.Zhang,
X.Zhang,
A.Zhou.
Identification of Substituted 3-Hydroxy-2-Mercaptocyclohex-2-Enones As Potent Inhibitors of Human Lactate Dehydrogenase. Bioorg.Med.Chem.Lett. V. 24 3764 2014.
ISSN: ISSN 0960-894X
PubMed: 25037916
DOI: 10.1016/J.BMCL.2014.06.076
Page generated: Fri Jul 11 20:52:56 2025
ISSN: ISSN 0960-894X
PubMed: 25037916
DOI: 10.1016/J.BMCL.2014.06.076
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