Magnesium in PDB 6rhw: Crystal Structure of Human CD11B I-Domain (CD11B-I) in Complex with Staphylococcus Aureus Octameric Bi-Component Leukocidin Lukgh

The structure of Crystal Structure of Human CD11B I-Domain (CD11B-I) in Complex with Staphylococcus Aureus Octameric Bi-Component Leukocidin Lukgh, PDB code: 6rhw was solved by N.Trstenjak, D.Milic, K.Djinovic-Carugo, A.Badarau, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.08 / 2.75
Space group	P 4 21 2
Cell size a, b, c (Å), α, β, γ (°)	122.107, 122.107, 133.697, 90.00, 90.00, 90.00
R / Rfree (%)	23.9 / 28.1

The binding sites of Magnesium atom in the Crystal Structure of Human CD11B I-Domain (CD11B-I) in Complex with Staphylococcus Aureus Octameric Bi-Component Leukocidin Lukgh (pdb code 6rhw). 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 Human CD11B I-Domain (CD11B-I) in Complex with Staphylococcus Aureus Octameric Bi-Component Leukocidin Lukgh, PDB code: 6rhw:

Magnesium binding site 1 out of 1 in the Crystal Structure of Human CD11B I-Domain (CD11B-I) in Complex with Staphylococcus Aureus Octameric Bi-Component Leukocidin Lukgh


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 Human CD11B I-Domain (CD11B-I) in Complex with Staphylococcus Aureus Octameric Bi-Component Leukocidin Lukgh within 5.0Å range: probe atom residue distance (Å) B Occ H:Mg404 b:20.4 occ:1.00 OG1 C:THR209 2.0 59.1 1.0 OE2 H:GLU323 2.1 48.7 1.0 OG C:SER144 2.1 64.8 1.0 O C:HOH501 2.1 29.2 1.0 O C:HOH502 2.1 27.4 1.0 OG C:SER142 2.1 59.4 1.0 CB C:SER142 3.1 56.3 1.0 HB2 C:SER142 3.1 68.1 1.0 HG21 C:THR209 3.1 72.8 1.0 CD H:GLU323 3.2 45.2 1.0 HB3 C:SER144 3.2 71.7 1.0 CB C:SER144 3.2 59.3 1.0 CB C:THR209 3.2 59.1 1.0 HB3 C:SER142 3.4 68.1 1.0 H C:SER144 3.5 69.9 1.0 CG2 C:THR209 3.5 60.3 1.0 HG23 C:THR209 3.5 72.8 1.0 OD2 C:ASP140 3.6 63.7 1.0 OE1 H:GLU323 3.6 44.0 1.0 HB C:THR209 3.7 71.5 1.0 H23 H:DMS403 3.7 0.1 1.0 HB2 C:SER144 3.8 71.7 1.0 O C:GLU244 3.9 67.1 1.0 OD1 C:ASP140 4.1 64.4 1.0 HG12 C:ILE145 4.1 69.8 1.0 HB2 C:GLU244 4.2 80.3 1.0 N C:SER144 4.2 57.8 1.0 OD2 C:ASP242 4.2 59.7 1.0 CA C:SER144 4.2 59.1 1.0 OD1 C:ASP242 4.2 61.1 1.0 CG C:ASP140 4.3 63.1 1.0 CA C:THR209 4.4 62.0 1.0 HA C:THR209 4.4 75.0 1.0 CA C:SER142 4.4 54.5 1.0 CG H:GLU323 4.4 47.0 1.0 HG22 C:THR209 4.4 72.8 1.0 HG2 H:GLU323 4.5 56.9 1.0 H21 H:DMS403 4.6 0.1 1.0 C C:SER142 4.6 55.5 1.0 CG C:ASP242 4.6 62.1 1.0 C2 H:DMS403 4.6 86.3 1.0 HG3 H:GLU323 4.6 56.9 1.0 HD11 C:ILE145 4.6 67.0 1.0 H C:SER142 4.7 61.7 1.0 N C:THR209 4.7 63.3 1.0 C C:SER144 4.8 60.4 1.0 C C:GLU244 4.8 65.8 1.0 HB3 C:GLU244 4.9 80.3 1.0 HD13 C:ILE145 4.9 67.0 1.0 O C:SER142 4.9 57.1 1.0 CB C:GLU244 4.9 66.5 1.0 H C:ILE145 4.9 71.8 1.0 CG1 C:ILE145 5.0 57.8 1.0

N.Trstenjak, D.Milic, M.A.Graewert, H.Rouha, D.Svergun, K.Djinovic-Carugo, E.Nagy, A.Badarau. Molecular Mechanism of Leukocidin Gh-Integrin CD11B/CD18 Recognition and Species Specificity. Proc.Natl.Acad.Sci.Usa 2019.
ISSN: ESSN 1091-6490
PubMed: 31852826
DOI: 10.1073/PNAS.1913690116