Magnesium in PDB 3fqr: 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: 3fqr 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)	24.27 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	59.678, 79.706, 111.558, 90.00, 90.00, 90.00
R / Rfree (%)	16.9 / 18.9

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)

8 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 3fqr). 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: 3fqr:
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:Mg277 b:39.2 occ:1.00 OE1 A:GLU19 2.5 34.6 0.5 OE2 A:GLU19 2.6 23.9 0.5 CD A:GLU19 2.9 31.1 0.5 OE1 A:GLU19 3.0 38.0 0.5 O A:HOH607 3.0 35.9 1.0 O A:HOH332 3.1 42.7 1.0 CD A:GLU19 3.5 37.2 0.5 O A:HOH637 3.7 35.7 1.0 O A:HOH508 3.8 24.3 1.0 OE2 A:GLU19 3.8 40.7 0.5 CG A:GLU19 4.2 27.6 0.5 O A:HOH441 4.4 31.6 1.0 CG A:GLU19 4.8 28.6 0.5 CD A:ARG75 4.9 21.2 1.0 NE A:ARG75 4.9 21.6 1.0 CB A:GLU19 4.9 26.2 0.5 CB A:GLU19 4.9 27.4 0.5

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:Mg101 b:40.4 occ:1.00 O B:LEU86 2.5 40.8 1.0 O B:HOH380 2.6 41.2 1.0 O B:HIS83 2.6 26.0 1.0 OD1 B:ASN82 2.7 37.4 1.0 O B:HOH232 2.8 47.8 1.0 CG B:ASN82 3.5 40.9 1.0 C B:HIS83 3.5 25.5 1.0 C B:LEU86 3.6 41.1 1.0 ND2 B:ASN82 3.7 46.6 1.0 N B:HIS83 4.0 23.4 1.0 CA B:VAL84 4.2 25.7 1.0 N B:VAL84 4.2 23.1 1.0 N B:LEU86 4.2 32.8 1.0 CA B:LEU86 4.3 37.0 1.0 O B:HOH249 4.3 47.1 1.0 O B:VAL84 4.3 31.1 1.0 CB B:LEU86 4.3 32.6 1.0 C B:VAL84 4.4 28.9 1.0 CA B:HIS83 4.4 23.6 1.0 N B:SER87 4.7 48.2 1.0 C B:SER87 4.7 47.0 1.0 CB B:ASN82 4.7 32.5 1.0 O B:SER87 4.9 46.8 1.0 CA B:SER87 4.9 50.0 1.0 N B:GLN88 4.9 43.5 1.0 C B:ASN82 4.9 25.8 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