Magnesium in PDB 3fqn: Phosphorylation of Self-Peptides Alters Human Leukocyte Antigen Class I-Restricted Antigen Presentation and Generates Tumor Specific Epitopes

The structure of Phosphorylation of Self-Peptides Alters Human Leukocyte Antigen Class I-Restricted Antigen Presentation and Generates Tumor Specific Epitopes, PDB code: 3fqn was solved by J.Petersen, J.Rossjohn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.71 / 1.65
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	59.716, 79.708, 110.871, 90.00, 90.00, 90.00
R / Rfree (%)	17.6 / 19.7

The structure of Phosphorylation of Self-Peptides Alters Human Leukocyte Antigen Class I-Restricted Antigen Presentation and Generates Tumor Specific Epitopes also contains other interesting chemical elements:

Cadmium

(Cd)

7 atoms

The binding sites of Magnesium atom in the Phosphorylation of Self-Peptides Alters Human Leukocyte Antigen Class I-Restricted Antigen Presentation and Generates Tumor Specific Epitopes (pdb code 3fqn). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Phosphorylation of Self-Peptides Alters Human Leukocyte Antigen Class I-Restricted Antigen Presentation and Generates Tumor Specific Epitopes, PDB code: 3fqn:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Phosphorylation of Self-Peptides Alters Human Leukocyte Antigen Class I-Restricted Antigen Presentation and Generates Tumor Specific Epitopes


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Phosphorylation of Self-Peptides Alters Human Leukocyte Antigen Class I-Restricted Antigen Presentation and Generates Tumor Specific Epitopes within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg280 b:30.3 occ:1.00 O A:HOH530 2.6 38.3 1.0 O A:HOH442 3.0 31.9 1.0 O A:HOH286 3.1 22.7 1.0 CG A:GLU154 3.6 22.2 1.0 O A:HOH473 3.6 40.9 1.0 N A:GLU154 3.6 19.8 1.0 CA A:HIS151 3.7 23.8 1.0 OE2 A:GLU154 3.8 25.2 1.0 CB A:ALA153 3.8 20.0 1.0 C A:HIS151 3.8 21.7 1.0 N A:ALA153 3.8 19.4 1.0 CD A:GLU154 3.9 26.6 1.0 N A:VAL152 4.1 19.3 1.0 CA A:ALA153 4.2 21.0 1.0 O A:HIS151 4.2 21.1 1.0 O A:HOH527 4.2 31.4 1.0 CB A:GLU154 4.3 20.6 1.0 C A:ALA153 4.3 20.2 1.0 O A:HOH515 4.4 29.9 1.0 O A:GLU148 4.5 26.9 1.0 CA A:GLU154 4.5 19.8 1.0 N A:HIS151 4.6 22.2 1.0 CB A:HIS151 4.6 23.5 1.0 C A:VAL152 4.7 21.1 1.0 O A:HOH301 4.7 23.0 1.0 O A:TRP147 4.8 24.4 1.0 OE1 A:GLU154 4.9 21.9 1.0 O A:HOH379 5.0 48.2 1.0

Magnesium binding site 2 out of 2 in the Phosphorylation of Self-Peptides Alters Human Leukocyte Antigen Class I-Restricted Antigen Presentation and Generates Tumor Specific Epitopes


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Phosphorylation of Self-Peptides Alters Human Leukocyte Antigen Class I-Restricted Antigen Presentation and Generates Tumor Specific Epitopes within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg281 b:52.4 occ:1.00 OE1 A:GLU19 2.6 41.7 1.0 OE2 A:GLU19 2.7 34.8 1.0 O A:HOH316 2.9 42.5 1.0 CD A:GLU19 3.0 42.1 1.0 O A:HOH377 3.4 53.5 1.0 OE1 A:GLN72 3.5 15.2 0.5 O A:HOH285 3.8 38.6 1.0 CD A:GLN72 4.0 22.9 0.5 NE2 A:GLN72 4.0 27.0 0.5 O A:HOH443 4.3 52.6 1.0 CG A:GLU19 4.4 34.1 1.0 NE A:ARG75 4.8 27.5 1.0 O A:HOH319 5.0 39.4 1.0 CD A:ARG75 5.0 26.0 1.0

J.Petersen, S.J.Wurzbacher, N.A.Williamson, S.H.Ramarathinam, H.H.Reid, A.K.Nair, A.Y.Zhao, R.Nastovska, G.Rudge, J.Rossjohn, A.W.Purcell. Phosphorylated Self-Peptides Alter Human Leukocyte Antigen Class I-Restricted Antigen Presentation and Generate Tumor-Specific Epitopes Proc.Natl.Acad.Sci.Usa V. 106 2776 2009.
ISSN: ISSN 0027-8424
PubMed: 19196958
DOI: 10.1073/PNAS.0812901106