Magnesium in PDB 6bcy: Complex of 14-3-3 Theta with An IRSP53 Peptide Phosphorylated at T360

The structure of Complex of 14-3-3 Theta with An IRSP53 Peptide Phosphorylated at T360, PDB code: 6bcy was solved by D.J.Kast, R.Dominguez, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	21.85 / 2.30
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	59.370, 68.630, 84.790, 72.91, 85.59, 64.65
R / Rfree (%)	19.2 / 22.2

The binding sites of Magnesium atom in the Complex of 14-3-3 Theta with An IRSP53 Peptide Phosphorylated at T360 (pdb code 6bcy). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Complex of 14-3-3 Theta with An IRSP53 Peptide Phosphorylated at T360, PDB code: 6bcy:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Complex of 14-3-3 Theta with An IRSP53 Peptide Phosphorylated at T360


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Complex of 14-3-3 Theta with An IRSP53 Peptide Phosphorylated at T360 within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg401 b:57.1 occ:1.00 O3P D:TPO360 2.8 32.3 1.0 OE2 D:GLU357 2.9 84.6 1.0 O D:ASN358 3.0 51.6 1.0 HH22 B:ARG56 3.2 46.7 1.0 HG2 D:GLU357 3.2 99.6 1.0 HB2 D:ASN358 3.4 58.6 1.0 HG11 B:VAL176 3.4 30.4 1.0 OE2 B:GLU180 3.4 57.1 1.0 OE1 B:GLU180 3.6 50.7 1.0 HG22 D:TPO360 3.6 41.3 1.0 CD D:GLU357 3.7 83.7 1.0 CG D:GLU357 3.8 83.0 1.0 P D:TPO360 3.8 34.8 1.0 HG3 D:GLU357 3.8 99.6 1.0 HG21 D:TPO360 3.8 41.3 1.0 CD B:GLU180 3.9 52.8 1.0 HH12 B:ARG127 3.9 30.3 1.0 OG1 D:TPO360 3.9 34.4 1.0 NH2 B:ARG56 3.9 38.9 1.0 C D:ASN358 4.0 52.5 1.0 HG13 B:VAL176 4.2 30.4 1.0 HH21 B:ARG56 4.2 46.7 1.0 CG1 B:VAL176 4.2 25.3 1.0 CG2 D:TPO360 4.2 34.4 1.0 O2P D:TPO360 4.2 39.9 1.0 CB D:ASN358 4.3 48.8 1.0 H D:ASN358 4.3 75.7 1.0 O B:HOH402 4.4 30.0 1.0 HG12 B:VAL176 4.5 30.4 1.0 CA D:ASN358 4.5 55.6 1.0 NH1 B:ARG127 4.5 25.3 1.0 HH11 B:ARG127 4.6 30.3 1.0 N D:ASN358 4.6 63.0 1.0 HH12 B:ARG56 4.6 39.7 1.0 CB D:TPO360 4.7 33.2 1.0 HB3 D:ASN358 4.7 58.6 1.0 O D:HOH502 4.8 48.0 1.0 OE1 D:GLU357 4.9 83.8 1.0 HG21 B:VAL176 4.9 29.0 1.0

Magnesium binding site 2 out of 2 in the Complex of 14-3-3 Theta with An IRSP53 Peptide Phosphorylated at T360


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Complex of 14-3-3 Theta with An IRSP53 Peptide Phosphorylated at T360 within 5.0Å range: probe atom residue distance (Å) B Occ H:Mg401 b:58.9 occ:1.00 OE1 H:GLU357 2.4 92.9 1.0 O H:ASN358 2.9 63.9 1.0 O1P H:TPO360 3.1 43.8 1.0 HH22 F:ARG56 3.2 50.5 1.0 CD H:GLU357 3.4 93.1 1.0 HB2 H:ASN358 3.6 69.7 1.0 OE1 F:GLU180 3.6 73.8 1.0 HG11 F:VAL176 3.9 44.8 1.0 NH2 F:ARG56 4.0 42.1 1.0 HG3 H:GLU357 4.0 0.9 1.0 HG22 H:TPO360 4.1 52.9 1.0 C H:ASN358 4.1 61.4 1.0 P H:TPO360 4.1 44.5 1.0 HD22 H:ASN358 4.1 74.3 1.0 OG1 H:TPO360 4.1 44.8 1.0 HH22 F:ARG127 4.2 35.7 1.0 OE2 H:GLU357 4.2 93.4 1.0 HH21 F:ARG56 4.2 50.5 1.0 H H:ASN358 4.3 83.0 1.0 CG H:GLU357 4.3 93.2 1.0 HG21 H:TPO360 4.3 52.9 1.0 CD F:GLU180 4.4 73.0 1.0 O2P H:TPO360 4.5 45.5 1.0 OE2 F:GLU180 4.5 75.2 1.0 CB H:ASN358 4.5 58.0 1.0 HH12 F:ARG56 4.5 48.1 1.0 HG13 F:VAL176 4.5 44.8 1.0 N H:ASN358 4.6 69.2 1.0 CG1 F:VAL176 4.6 37.3 1.0 CA H:ASN358 4.6 62.8 1.0 CG2 H:TPO360 4.6 44.1 1.0 HG2 H:GLU357 4.7 0.9 1.0 ND2 H:ASN358 4.8 61.9 1.0 NH2 F:ARG127 4.8 29.7 1.0 HH21 F:ARG127 4.9 35.7 1.0 HG12 F:VAL176 4.9 44.8 1.0 CZ F:ARG56 5.0 40.8 1.0

D.J.Kast, R.Dominguez. Mechanism of IRSP53 Inhibition By 14-3-3. Nat Commun V. 10 483 2019.
ISSN: ESSN 2041-1723
PubMed: 30696821
DOI: 10.1038/S41467-019-08317-8