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Chlorine in PDB 9m3p: Crystal Structure of Human Pyruvate Dehydrogenase Kinase Isoform 1 in Complex with Atp Competitive Inhibitor 3
Enzymatic activity of Crystal Structure of Human Pyruvate Dehydrogenase Kinase Isoform 1 in Complex with Atp Competitive Inhibitor 3
All present enzymatic activity of Crystal Structure of Human Pyruvate Dehydrogenase Kinase Isoform 1 in Complex with Atp Competitive Inhibitor 3:
2.7.11.2;
2.7.11.2;
Protein crystallography data
The structure of Crystal Structure of Human Pyruvate Dehydrogenase Kinase Isoform 1 in Complex with Atp Competitive Inhibitor 3, PDB code: 9m3p
was solved by
Z.H.Xu,
S.Chen,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 45.59 / 2.01 |
| Space group | P 41 21 2 |
| Cell size a, b, c (Å), α, β, γ (°) | 100.221, 100.221, 109.815, 90, 90, 90 |
| R / Rfree (%) | 16.3 / 19.6 |
Other elements in 9m3p:
The structure of Crystal Structure of Human Pyruvate Dehydrogenase Kinase Isoform 1 in Complex with Atp Competitive Inhibitor 3 also contains other interesting chemical elements:
| Potassium | (K) | 1 atom |
| Fluorine | (F) | 4 atoms |
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of Human Pyruvate Dehydrogenase Kinase Isoform 1 in Complex with Atp Competitive Inhibitor 3
(pdb code 9m3p). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Human Pyruvate Dehydrogenase Kinase Isoform 1 in Complex with Atp Competitive Inhibitor 3, PDB code: 9m3p:
Jump to Chlorine binding site number: 1; 2;
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Human Pyruvate Dehydrogenase Kinase Isoform 1 in Complex with Atp Competitive Inhibitor 3, PDB code: 9m3p:
Jump to Chlorine binding site number: 1; 2;
Chlorine binding site 1 out of 2 in 9m3p
Go back to
Chlorine Binding Sites List in 9m3p
Chlorine binding site 1 out
of 2 in the Crystal Structure of Human Pyruvate Dehydrogenase Kinase Isoform 1 in Complex with Atp Competitive Inhibitor 3
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 Crystal Structure of Human Pyruvate Dehydrogenase Kinase Isoform 1 in Complex with Atp Competitive Inhibitor 3 within 5.0Å range:
|
Chlorine binding site 2 out of 2 in 9m3p
Go back to
Chlorine Binding Sites List in 9m3p
Chlorine binding site 2 out
of 2 in the Crystal Structure of Human Pyruvate Dehydrogenase Kinase Isoform 1 in Complex with Atp Competitive Inhibitor 3
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 Crystal Structure of Human Pyruvate Dehydrogenase Kinase Isoform 1 in Complex with Atp Competitive Inhibitor 3 within 5.0Å range:
|
Reference:
H.Xu,
D.Ding,
X.Han,
K.Miao,
C.Liang,
H.Yun,
W.Zhu,
F.Dey,
D.Zhao,
Y.Wu,
M.Reutlinger,
J.Yang,
G.Zhai,
Z.Lin,
C.Li,
W.Wu,
B.Xu,
L.Han,
S.Chen,
X.Huang,
F.Casagrande,
M.Hilbert,
Q.Strebel,
M.Wichert,
P.Westwood,
R.Schafer,
D.Roth,
D.Heer,
X.Tian,
T.Ma,
T.Zhang,
J.Zhao,
E.Urich,
G.Xia,
K.Lassen,
H.C.Shen,
G.Zou.
Discovery of Atp Competitive PDHK1/2 Dual Inhibitors. Bioorg.Med.Chem.Lett. V. 122 30190 2025.
ISSN: ESSN 1464-3405
PubMed: 40107630
DOI: 10.1016/J.BMCL.2025.130190
Page generated: Sun Jul 13 17:12:55 2025
ISSN: ESSN 1464-3405
PubMed: 40107630
DOI: 10.1016/J.BMCL.2025.130190
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