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Magnesium in PDB 4qa5: Crystal Structure of A188T/Y306F HDAC8 in Complex with A Tetrapeptide Substrate

Enzymatic activity of Crystal Structure of A188T/Y306F HDAC8 in Complex with A Tetrapeptide Substrate

All present enzymatic activity of Crystal Structure of A188T/Y306F HDAC8 in Complex with A Tetrapeptide Substrate:
3.5.1.98;

Protein crystallography data

The structure of Crystal Structure of A188T/Y306F HDAC8 in Complex with A Tetrapeptide Substrate, PDB code: 4qa5 was solved by C.Decroos, C.B.Bowman, J.-A.S.Moser, K.E.Christianson, M.A.Deardorff, D.W.Christianson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.42 / 1.76
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 82.830, 97.760, 105.485, 90.00, 90.00, 90.00
R / Rfree (%) 16.7 / 19.4

Other elements in 4qa5:

The structure of Crystal Structure of A188T/Y306F HDAC8 in Complex with A Tetrapeptide Substrate also contains other interesting chemical elements:

Potassium (K) 4 atoms
Zinc (Zn) 2 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of A188T/Y306F HDAC8 in Complex with A Tetrapeptide Substrate (pdb code 4qa5). 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 Structure of A188T/Y306F HDAC8 in Complex with A Tetrapeptide Substrate, PDB code: 4qa5:

Magnesium binding site 1 out of 1 in 4qa5

Go back to Magnesium Binding Sites List in 4qa5
Magnesium binding site 1 out of 1 in the Crystal Structure of A188T/Y306F HDAC8 in Complex with A Tetrapeptide Substrate


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 A188T/Y306F HDAC8 in Complex with A Tetrapeptide Substrate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg405

b:41.7
occ:1.00
OE2 A:GLU358 1.9 58.3 1.0
CD A:GLU358 2.9 44.0 1.0
OE1 A:GLU358 3.2 52.3 1.0
O A:HOH752 4.0 53.8 1.0
CG A:GLU358 4.2 30.7 1.0
O A:HOH679 4.9 42.4 1.0

Reference:

C.Decroos, C.M.Bowman, J.A.Moser, K.E.Christianson, M.A.Deardorff, D.W.Christianson. Compromised Structure and Function of HDAC8 Mutants Identified in Cornelia De Lange Syndrome Spectrum Disorders. Acs Chem.Biol. V. 9 2157 2014.
ISSN: ISSN 1554-8929
PubMed: 25075551
DOI: 10.1021/CB5003762
Page generated: Mon Dec 14 19:22:12 2020

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