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Chlorine in PDB 2q8g: Structure of Pyruvate Dehydrogenase Kinase Isoform 1 in Complex with Glucose-Lowering Drug AZD7545

Enzymatic activity of Structure of Pyruvate Dehydrogenase Kinase Isoform 1 in Complex with Glucose-Lowering Drug AZD7545

All present enzymatic activity of Structure of Pyruvate Dehydrogenase Kinase Isoform 1 in Complex with Glucose-Lowering Drug AZD7545:
2.7.11.2;

Protein crystallography data

The structure of Structure of Pyruvate Dehydrogenase Kinase Isoform 1 in Complex with Glucose-Lowering Drug AZD7545, PDB code: 2q8g was solved by M.Kato, J.Li, J.L.Chuang, D.T.Chuang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 1.90
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 96.979, 96.979, 111.352, 90.00, 90.00, 90.00
R / Rfree (%) 21.2 / 24.9

Other elements in 2q8g:

The structure of Structure of Pyruvate Dehydrogenase Kinase Isoform 1 in Complex with Glucose-Lowering Drug AZD7545 also contains other interesting chemical elements:

Fluorine (F) 3 atoms
Potassium (K) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of Pyruvate Dehydrogenase Kinase Isoform 1 in Complex with Glucose-Lowering Drug AZD7545 (pdb code 2q8g). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Structure of Pyruvate Dehydrogenase Kinase Isoform 1 in Complex with Glucose-Lowering Drug AZD7545, PDB code: 2q8g:

Chlorine binding site 1 out of 1 in 2q8g

Go back to Chlorine Binding Sites List in 2q8g
Chlorine binding site 1 out of 1 in the Structure of Pyruvate Dehydrogenase Kinase Isoform 1 in Complex with Glucose-Lowering Drug AZD7545


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Pyruvate Dehydrogenase Kinase Isoform 1 in Complex with Glucose-Lowering Drug AZD7545 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl438

b:31.6
occ:1.00
 CL1 A:AZX438 0.0 31.6 1.0
C19 A:AZX438 1.8 32.1 1.0
C20 A:AZX438 2.8 32.0 1.0
C18 A:AZX438 2.8 30.0 1.0
N22 A:AZX438 3.0 26.9 1.0
CB A:PHE78 3.3 25.0 1.0
O A:THR74 3.4 26.2 1.0
O A:HOH603 3.6 38.5 1.0
CE1 A:PHE65 3.7 28.4 1.0
O A:HOH589 3.8 41.6 1.0
CG A:PHE78 3.8 24.8 1.0
CG2 A:THR74 3.8 29.1 1.0
C A:THR74 3.9 26.1 1.0
CA A:SER75 4.0 24.9 1.0
C15 A:AZX438 4.1 35.9 1.0
CZ A:PHE65 4.1 28.7 1.0
CD2 A:PHE78 4.1 24.4 1.0
CD1 A:PHE65 4.1 28.6 1.0
C17 A:AZX438 4.1 31.8 1.0
O25 A:AZX438 4.2 25.2 1.0
N A:SER75 4.2 24.9 1.0
C23 A:AZX438 4.2 23.3 1.0
C16 A:AZX438 4.6 32.9 1.0
CD1 A:PHE78 4.6 25.6 1.0
CA A:PHE78 4.6 25.2 1.0
CB A:THR74 4.7 26.8 1.0
N A:PHE78 4.8 25.0 1.0
O A:SER75 4.8 26.8 1.0
O A:HOH742 4.8 47.2 1.0
CE2 A:PHE65 4.8 25.3 1.0
CG A:PHE65 4.8 27.9 1.0
C A:SER75 4.9 25.6 1.0
CA A:THR74 4.9 26.9 1.0
C24 A:AZX438 4.9 26.0 1.0
CB A:SER75 4.9 24.9 1.0

Reference:

M.Kato, J.Li, J.L.Chuang, D.T.Chuang. Distinct Structural Mechanisms For Inhibition of Pyruvate Dehydrogenase Kinase Isoforms By AZD7545, Dichloroacetate, and Radicicol. Structure V. 15 992 2007.
ISSN: ISSN 0969-2126
PubMed: 17683942
DOI: 10.1016/J.STR.2007.07.001
Page generated: Sat Dec 12 09:16:34 2020

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