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Magnesium in PDB 2bu2: Crystal Structures of Human Pyruvate Dehydrogenase Kinase 2 Containing Physiological and Synthetic Ligands

Enzymatic activity of Crystal Structures of Human Pyruvate Dehydrogenase Kinase 2 Containing Physiological and Synthetic Ligands

All present enzymatic activity of Crystal Structures of Human Pyruvate Dehydrogenase Kinase 2 Containing Physiological and Synthetic Ligands:
2.7.1.99;

Protein crystallography data

The structure of Crystal Structures of Human Pyruvate Dehydrogenase Kinase 2 Containing Physiological and Synthetic Ligands, PDB code: 2bu2 was solved by T.R.Knoechel, A.D.Tucker, C.M.Robinson, C.Phillips, W.Taylor, P.J.Bungay, S.A.Kasten, T.E.Roche, D.G.Brown, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.40
Space group P 64
Cell size a, b, c (Å), α, β, γ (°) 108.703, 108.703, 83.855, 90.00, 90.00, 120.00
R / Rfree (%) n/a / n/a

Other elements in 2bu2:

The structure of Crystal Structures of Human Pyruvate Dehydrogenase Kinase 2 Containing Physiological and Synthetic Ligands also contains other interesting chemical elements:

Fluorine (F) 3 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structures of Human Pyruvate Dehydrogenase Kinase 2 Containing Physiological and Synthetic Ligands (pdb code 2bu2). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structures of Human Pyruvate Dehydrogenase Kinase 2 Containing Physiological and Synthetic Ligands, PDB code: 2bu2:

Magnesium binding site 1 out of 1 in 2bu2

Go back to Magnesium Binding Sites List in 2bu2
Magnesium binding site 1 out of 1 in the Crystal Structures of Human Pyruvate Dehydrogenase Kinase 2 Containing Physiological and Synthetic Ligands


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structures of Human Pyruvate Dehydrogenase Kinase 2 Containing Physiological and Synthetic Ligands within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1388

b:42.8
occ:1.00
 O A:HOH2040 2.0 46.0 1.0
O A:HOH2087 2.0 47.9 1.0
O2G A:ATP1386 2.0 54.6 1.0
O2B A:ATP1386 2.2 48.6 1.0
O1A A:ATP1386 2.3 48.0 1.0
OD1 A:ASN247 2.3 36.7 1.0
PG A:ATP1386 3.1 53.5 1.0
PB A:ATP1386 3.1 49.9 1.0
CG A:ASN247 3.2 37.5 1.0
O3A A:ATP1386 3.3 50.6 1.0
PA A:ATP1386 3.3 45.2 1.0
O3G A:ATP1386 3.4 56.5 1.0
O3B A:ATP1386 3.5 52.0 1.0
ND2 A:ASN247 3.5 33.3 1.0
OE1 A:GLU243 3.9 44.0 1.0
O A:HOH2086 4.1 48.8 1.0
O A:GLU243 4.2 36.3 1.0
O1G A:ATP1386 4.2 51.7 1.0
O5' A:ATP1386 4.4 49.8 1.0
O1B A:ATP1386 4.5 51.2 1.0
O2A A:ATP1386 4.5 47.3 1.0
C5' A:ATP1386 4.5 49.5 1.0
CB A:ASN247 4.6 36.4 1.0
CA A:GLY321 4.8 54.0 1.0
N A:ASN247 4.8 37.5 1.0
CA A:ASN247 4.9 37.0 1.0
CB A:LYS246 4.9 37.1 1.0
CB A:ALA316 4.9 86.1 1.0
CE A:LYS246 5.0 39.2 1.0

Reference:

T.R.Knoechel, A.D.Tucker, C.M.Robinson, C.Phillips, W.Taylor, P.J.Bungay, S.A.Kasten, T.E.Roche, D.G.Brown. Regulatory Roles of the N-Terminal Domain Based on Crystal Structures of Human Pyruvate Dehydrogenase Kinase 2 Containing Physiological and Synthetic Ligands. Biochemistry V. 45 402 2006.
ISSN: ISSN 0006-2960
PubMed: 16401071
DOI: 10.1021/BI051402S
Page generated: Sun Aug 10 10:08:39 2025

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