Magnesium in PDB 3fqx: 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: 3fqx 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)	24.01 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	59.846, 79.684, 110.997, 90.00, 90.00, 90.00
R / Rfree (%)	17.2 / 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)

5 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 3fqx). 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: 3fqx:
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:33.7 occ:1.00 O A:HOH369 2.4 33.5 1.0 O A:HOH308 3.1 21.8 1.0 O A:HOH317 3.2 34.5 1.0 OE2 A:GLU154 3.7 24.9 1.0 CG A:GLU154 3.7 21.4 1.0 CA A:HIS151 3.9 22.7 1.0 N A:GLU154 3.9 21.5 1.0 CB A:ALA153 3.9 20.8 1.0 CD A:GLU154 3.9 25.0 1.0 O A:HOH467 4.0 31.0 1.0 C A:HIS151 4.1 23.9 1.0 N A:ALA153 4.1 20.5 1.0 O A:GLU148 4.3 26.2 1.0 O A:HOH320 4.4 30.8 1.0 CA A:ALA153 4.4 23.1 1.0 N A:VAL152 4.5 20.4 1.0 O A:HIS151 4.5 21.8 1.0 CB A:GLU154 4.6 20.1 1.0 C A:ALA153 4.6 23.1 1.0 O A:HOH370 4.7 40.4 1.0 N A:HIS151 4.7 23.3 1.0 CA A:GLU148 4.8 24.1 1.0 CB A:HIS151 4.8 21.7 1.0 CA A:GLU154 4.8 20.7 1.0 O A:TRP147 4.8 24.7 1.0 OE1 A:GLU154 4.9 22.4 1.0 O A:HOH316 5.0 23.9 1.0 C A:GLU148 5.0 23.6 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 B:Mg100 b:45.6 occ:1.00 O B:LEU86 2.5 43.5 1.0 O B:HOH360 2.5 49.9 1.0 OD1 B:ASN82 2.6 42.4 1.0 O B:HIS83 2.7 31.3 1.0 O B:HOH359 2.8 53.6 1.0 CG B:ASN82 3.4 49.5 1.0 C B:HIS83 3.6 30.8 1.0 C B:LEU86 3.7 48.1 1.0 ND2 B:ASN82 3.7 55.5 1.0 N B:HIS83 4.0 28.4 1.0 N B:LEU86 4.3 37.0 1.0 CA B:VAL84 4.3 33.5 1.0 CA B:LEU86 4.3 42.3 1.0 N B:VAL84 4.3 31.4 1.0 CB B:LEU86 4.3 39.9 1.0 CA B:HIS83 4.5 29.3 1.0 C B:VAL84 4.5 38.4 1.0 O B:HOH371 4.5 64.3 1.0 O B:VAL84 4.5 40.5 1.0 O B:SER87 4.6 57.4 1.0 C B:SER87 4.6 58.1 1.0 CB B:ASN82 4.7 39.7 1.0 N B:SER87 4.7 54.1 1.0 N B:GLN88 4.9 51.0 1.0 C B:ASN82 4.9 29.3 1.0 CA B:SER87 5.0 60.8 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