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Potassium in PDB 2q8h: Structure of Pyruvate Dehydrogenase Kinase Isoform 1 in Complex with Dichloroacetate (Dca)

Enzymatic activity of Structure of Pyruvate Dehydrogenase Kinase Isoform 1 in Complex with Dichloroacetate (Dca)

All present enzymatic activity of Structure of Pyruvate Dehydrogenase Kinase Isoform 1 in Complex with Dichloroacetate (Dca):
2.7.11.2;

Protein crystallography data

The structure of Structure of Pyruvate Dehydrogenase Kinase Isoform 1 in Complex with Dichloroacetate (Dca), PDB code: 2q8h 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 / 2.00
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 98.323, 98.323, 110.559, 90.00, 90.00, 90.00
R / Rfree (%) 23 / 27.7

Other elements in 2q8h:

The structure of Structure of Pyruvate Dehydrogenase Kinase Isoform 1 in Complex with Dichloroacetate (Dca) also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Potassium Binding Sites:

The binding sites of Potassium atom in the Structure of Pyruvate Dehydrogenase Kinase Isoform 1 in Complex with Dichloroacetate (Dca) (pdb code 2q8h). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total only one binding site of Potassium was determined in the Structure of Pyruvate Dehydrogenase Kinase Isoform 1 in Complex with Dichloroacetate (Dca), PDB code: 2q8h:

Potassium binding site 1 out of 1 in 2q8h

Go back to Potassium Binding Sites List in 2q8h
Potassium binding site 1 out of 1 in the Structure of Pyruvate Dehydrogenase Kinase Isoform 1 in Complex with Dichloroacetate (Dca)


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Structure of Pyruvate Dehydrogenase Kinase Isoform 1 in Complex with Dichloroacetate (Dca) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K437

b:42.3
occ:1.00
 O A:ALA50 2.4 37.7 1.0
O A:HOH526 2.5 40.4 1.0
O A:TYR403 2.5 37.0 1.0
O A:PHE52 2.6 39.5 1.0
OD1 A:ASN89 2.7 39.6 1.0
C A:PHE52 3.4 39.3 1.0
CG2 A:VAL402 3.5 36.1 1.0
O A:ARG51 3.5 37.8 1.0
C A:ALA50 3.5 38.1 1.0
C A:ARG51 3.6 38.8 1.0
C A:TYR403 3.6 36.6 1.0
CG A:ASN89 3.7 39.5 1.0
O A:HOH542 3.7 41.9 1.0
ND2 A:ASN89 3.9 36.1 1.0
N A:PHE52 4.0 38.4 1.0
N A:TYR403 4.1 35.7 1.0
N A:SER53 4.1 39.7 1.0
CA A:ARG51 4.2 39.2 1.0
CA A:SER53 4.2 40.1 1.0
CA A:TYR403 4.3 35.8 1.0
CA A:PHE52 4.3 38.6 1.0
N A:ARG51 4.3 38.5 1.0
CB A:TYR403 4.5 36.0 1.0
CA A:ALA50 4.6 37.9 1.0
O A:HOH494 4.6 36.4 1.0
N A:ASN404 4.7 36.0 1.0
CB A:VAL402 4.8 36.0 1.0
C A:VAL402 4.9 35.7 1.0
CD A:PRO54 4.9 38.8 1.0
CB A:ASN404 5.0 36.8 1.0
CB A:SER53 5.0 40.5 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: Mon Aug 12 06:52:52 2024

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