Magnesium in PDB 3crl: Crystal Structure of the PDHK2-L2 Complex.

All present enzymatic activity of Crystal Structure of the PDHK2-L2 Complex.:
2.3.1.12; 2.7.11.2;

The structure of Crystal Structure of the PDHK2-L2 Complex., PDB code: 3crl was solved by K.M.Popov, M.Luo, T.J.Green, A.Grigorian, A.Klyuyeva, A.Tuganova, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.61
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	71.413, 121.630, 71.452, 90.00, 97.29, 90.00
R / Rfree (%)	22.1 / 27.4

The structure of Crystal Structure of the PDHK2-L2 Complex. also contains other interesting chemical elements:

Potassium

(K)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of the PDHK2-L2 Complex. (pdb code 3crl). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of the PDHK2-L2 Complex., PDB code: 3crl:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of the PDHK2-L2 Complex.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of the PDHK2-L2 Complex. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg2000 b:42.5 occ:1.00 O3G A:ANP1000 1.9 58.6 1.0 O2A A:ANP1000 2.1 54.6 1.0 O1B A:ANP1000 2.1 55.3 1.0 OE1 A:GLU251 2.2 31.6 1.0 OD1 A:ASN255 2.3 25.7 1.0 PB A:ANP1000 2.9 55.1 1.0 PG A:ANP1000 3.1 57.6 1.0 O3A A:ANP1000 3.1 56.1 1.0 PA A:ANP1000 3.1 55.6 1.0 N3B A:ANP1000 3.1 56.3 1.0 CD A:GLU251 3.3 30.9 1.0 CG A:ASN255 3.4 25.2 1.0 ND2 A:ASN255 3.8 24.8 1.0 OE2 A:GLU251 3.9 30.5 1.0 O2G A:ANP1000 4.0 58.4 1.0 O5' A:ANP1000 4.0 54.2 1.0 O1G A:ANP1000 4.1 57.3 1.0 O A:GLU251 4.3 26.2 1.0 O2B A:ANP1000 4.4 56.0 1.0 O1A A:ANP1000 4.4 55.5 1.0 O A:HOH3063 4.5 64.0 1.0 CG A:GLU251 4.5 29.3 1.0 CB A:ASN255 4.7 25.2 1.0 CA A:GLY329 4.7 38.3 1.0 N A:ASN255 4.7 24.8 1.0 CA A:ASN255 4.9 25.1 1.0 CB A:LYS254 5.0 24.5 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of the PDHK2-L2 Complex.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of the PDHK2-L2 Complex. within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg2001 b:57.0 occ:1.00 O3G B:ANP1001 2.2 58.9 1.0 O1B B:ANP1001 2.2 55.4 1.0 OD1 B:ASN255 2.3 26.3 1.0 O2A B:ANP1001 2.4 54.2 1.0 CG B:ASN255 3.2 25.6 1.0 PB B:ANP1001 3.3 55.6 1.0 PG B:ANP1001 3.3 58.4 1.0 ND2 B:ASN255 3.5 25.3 1.0 PA B:ANP1001 3.6 55.1 1.0 N3B B:ANP1001 3.6 57.7 1.0 O3A B:ANP1001 3.7 56.0 1.0 OE1 B:GLU251 3.7 31.3 1.0 O2G B:ANP1001 3.7 58.6 1.0 O B:GLU251 4.2 26.5 1.0 CB B:ASN255 4.5 25.7 1.0 O1A B:ANP1001 4.6 56.0 1.0 O1G B:ANP1001 4.6 58.5 1.0 N B:ASN255 4.6 25.1 1.0 CA B:GLY329 4.6 38.4 1.0 O2B B:ANP1001 4.7 55.8 1.0 C5' B:ANP1001 4.7 57.4 1.0 O5' B:ANP1001 4.7 55.8 1.0 CA B:ASN255 4.7 25.6 1.0 CD B:GLU251 4.8 30.1 1.0 CB B:LYS254 4.9 24.7 1.0 C B:GLU251 5.0 26.4 1.0 NZ B:LYS254 5.0 27.0 1.0

T.Green, A.Grigorian, A.Klyuyeva, A.Tuganova, M.Luo, K.M.Popov. Structural and Functional Insights Into the Molecular Mechanisms Responsible For the Regulation of Pyruvate Dehydrogenase Kinase 2. J.Biol.Chem. V. 283 15789 2008.
ISSN: ISSN 0021-9258
PubMed: 18387944
DOI: 10.1074/JBC.M800311200