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Chlorine in PDB 5m4n: Application of Off-Rate Screening in the Identification of Novel Pan- Isoform Inhibitors of Pyruvate Dehydrogenase Kinase
Enzymatic activity of Application of Off-Rate Screening in the Identification of Novel Pan- Isoform Inhibitors of Pyruvate Dehydrogenase Kinase
All present enzymatic activity of Application of Off-Rate Screening in the Identification of Novel Pan- Isoform Inhibitors of Pyruvate Dehydrogenase Kinase:
2.7.11.2;
2.7.11.2;
Protein crystallography data
The structure of Application of Off-Rate Screening in the Identification of Novel Pan- Isoform Inhibitors of Pyruvate Dehydrogenase Kinase, PDB code: 5m4n
was solved by
L.M.Baker,
P.Brough,
A.Surgenor,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 93.75 / 2.60 |
| Space group | P 64 |
| Cell size a, b, c (Å), α, β, γ (°) | 108.249, 108.249, 85.221, 90.00, 90.00, 120.00 |
| R / Rfree (%) | 20.3 / 26 |
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Application of Off-Rate Screening in the Identification of Novel Pan- Isoform Inhibitors of Pyruvate Dehydrogenase Kinase
(pdb code 5m4n). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Application of Off-Rate Screening in the Identification of Novel Pan- Isoform Inhibitors of Pyruvate Dehydrogenase Kinase, PDB code: 5m4n:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;
In total 5 binding sites of Chlorine where determined in the Application of Off-Rate Screening in the Identification of Novel Pan- Isoform Inhibitors of Pyruvate Dehydrogenase Kinase, PDB code: 5m4n:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;
Chlorine binding site 1 out of 5 in 5m4n
Go back to
Chlorine Binding Sites List in 5m4n
Chlorine binding site 1 out
of 5 in the Application of Off-Rate Screening in the Identification of Novel Pan- Isoform Inhibitors of Pyruvate Dehydrogenase Kinase
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 Application of Off-Rate Screening in the Identification of Novel Pan- Isoform Inhibitors of Pyruvate Dehydrogenase Kinase within 5.0Å range:
|
Chlorine binding site 2 out of 5 in 5m4n
Go back to
Chlorine Binding Sites List in 5m4n
Chlorine binding site 2 out
of 5 in the Application of Off-Rate Screening in the Identification of Novel Pan- Isoform Inhibitors of Pyruvate Dehydrogenase Kinase
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 Application of Off-Rate Screening in the Identification of Novel Pan- Isoform Inhibitors of Pyruvate Dehydrogenase Kinase within 5.0Å range:
|
Chlorine binding site 3 out of 5 in 5m4n
Go back to
Chlorine Binding Sites List in 5m4n
Chlorine binding site 3 out
of 5 in the Application of Off-Rate Screening in the Identification of Novel Pan- Isoform Inhibitors of Pyruvate Dehydrogenase Kinase
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 Application of Off-Rate Screening in the Identification of Novel Pan- Isoform Inhibitors of Pyruvate Dehydrogenase Kinase within 5.0Å range:
|
Chlorine binding site 4 out of 5 in 5m4n
Go back to
Chlorine Binding Sites List in 5m4n
Chlorine binding site 4 out
of 5 in the Application of Off-Rate Screening in the Identification of Novel Pan- Isoform Inhibitors of Pyruvate Dehydrogenase Kinase
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 Application of Off-Rate Screening in the Identification of Novel Pan- Isoform Inhibitors of Pyruvate Dehydrogenase Kinase within 5.0Å range:
|
Chlorine binding site 5 out of 5 in 5m4n
Go back to
Chlorine Binding Sites List in 5m4n
Chlorine binding site 5 out
of 5 in the Application of Off-Rate Screening in the Identification of Novel Pan- Isoform Inhibitors of Pyruvate Dehydrogenase Kinase
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 Application of Off-Rate Screening in the Identification of Novel Pan- Isoform Inhibitors of Pyruvate Dehydrogenase Kinase within 5.0Å range:
|
Reference:
P.A.Brough,
L.Baker,
S.Bedford,
K.Brown,
S.Chavda,
V.Chell,
J.D'alessandro,
N.G.Davies,
B.Davis,
L.Le Strat,
A.T.Macias,
D.Maddox,
P.C.Mahon,
A.J.Massey,
N.Matassova,
S.Mckenna,
J.W.Meissner,
J.D.Moore,
J.B.Murray,
C.J.Northfield,
C.Parry,
R.Parsons,
S.D.Roughley,
T.Shaw,
H.Simmonite,
S.Stokes,
A.Surgenor,
E.Stefaniak,
A.Robertson,
Y.Wang,
P.Webb,
N.Whitehead,
M.Wood.
Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase. J. Med. Chem. V. 60 2271 2017.
ISSN: ISSN 1520-4804
PubMed: 28199108
DOI: 10.1021/ACS.JMEDCHEM.6B01478
Page generated: Fri Jul 26 12:27:06 2024
ISSN: ISSN 1520-4804
PubMed: 28199108
DOI: 10.1021/ACS.JMEDCHEM.6B01478
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