Magnesium in PDB 6rhv: Crystal Structure of Mouse CD11B I-Domain (CD11B-I) in Complex with Staphylococcus Aureus Octameric Bi-Component Leukocidin Lukgh (Lukh K319A Mutant)

The structure of Crystal Structure of Mouse CD11B I-Domain (CD11B-I) in Complex with Staphylococcus Aureus Octameric Bi-Component Leukocidin Lukgh (Lukh K319A Mutant), PDB code: 6rhv 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)	46.94 / 2.29
Space group	P 4 21 2
Cell size a, b, c (Å), α, β, γ (°)	130.494, 130.494, 109.051, 90.00, 90.00, 90.00
R / Rfree (%)	18.8 / 22.7

The binding sites of Magnesium atom in the Crystal Structure of Mouse CD11B I-Domain (CD11B-I) in Complex with Staphylococcus Aureus Octameric Bi-Component Leukocidin Lukgh (Lukh K319A Mutant) (pdb code 6rhv). 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 Mouse CD11B I-Domain (CD11B-I) in Complex with Staphylococcus Aureus Octameric Bi-Component Leukocidin Lukgh (Lukh K319A Mutant), PDB code: 6rhv:

Magnesium binding site 1 out of 1 in the Crystal Structure of Mouse CD11B I-Domain (CD11B-I) in Complex with Staphylococcus Aureus Octameric Bi-Component Leukocidin Lukgh (Lukh K319A Mutant)


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 Mouse CD11B I-Domain (CD11B-I) in Complex with Staphylococcus Aureus Octameric Bi-Component Leukocidin Lukgh (Lukh K319A Mutant) within 5.0Å range: probe atom residue distance (Å) B Occ H:Mg403 b:36.3 occ:1.00 OG C:SER144 2.0 49.2 1.0 OE2 H:GLU323 2.0 47.3 1.0 OG1 C:THR209 2.0 52.0 1.0 O C:HOH501 2.1 37.2 1.0 O C:HOH513 2.1 42.6 1.0 OG C:SER142 2.1 51.9 1.0 HB2 C:SER142 2.8 53.7 1.0 CB C:SER142 2.9 44.8 1.0 HB3 C:SER144 3.0 63.3 1.0 CB C:SER144 3.1 52.8 1.0 HG21 C:THR209 3.1 57.5 1.0 CD H:GLU323 3.2 48.8 1.0 CB C:THR209 3.2 48.6 1.0 HB3 C:SER142 3.2 53.7 1.0 H C:SER144 3.3 54.8 1.0 HG23 C:THR209 3.4 57.5 1.0 CG2 C:THR209 3.4 47.9 1.0 HB C:THR209 3.6 58.4 1.0 OE1 H:GLU323 3.7 55.2 1.0 OD2 C:ASP140 3.7 52.7 1.0 HB2 C:SER144 3.7 63.3 1.0 OD2 C:ASP242 3.9 52.3 1.0 N C:SER144 4.0 45.6 1.0 O C:GLU244 4.0 48.5 1.0 OD1 C:ASP242 4.0 46.6 1.0 HG12 C:ILE145 4.1 57.0 1.0 CA C:SER144 4.1 54.3 1.0 OD1 C:ASP140 4.1 53.0 1.0 HB3 C:GLU244 4.2 77.4 1.0 CA C:SER142 4.3 40.9 1.0 H23 C:DMS401 4.3 0.4 1.0 CG C:ASP242 4.4 51.2 1.0 CG C:ASP140 4.4 49.1 1.0 O C:HOH532 4.4 56.7 1.0 HG22 C:THR209 4.4 57.5 1.0 CA C:THR209 4.4 48.4 1.0 CG H:GLU323 4.4 45.0 1.0 HG2 H:GLU323 4.4 54.1 1.0 HA C:THR209 4.5 58.1 1.0 H C:ILE145 4.5 59.0 1.0 C C:SER142 4.5 42.2 1.0 H11 C:DMS401 4.6 98.4 1.0 HG3 H:GLU323 4.6 54.1 1.0 H C:SER142 4.7 41.4 1.0 N C:THR209 4.7 44.9 1.0 HB3 C:PHE246 4.7 53.1 1.0 C C:SER144 4.8 43.9 1.0 N C:GLY143 4.8 41.2 1.0 N C:ILE145 4.8 49.2 1.0 H C:GLY143 4.8 49.5 1.0 HD11 C:ILE145 4.9 60.8 1.0 HA C:SER144 4.9 65.2 1.0 HD13 C:ILE145 4.9 60.8 1.0 HA C:SER142 4.9 49.0 1.0 CG1 C:ILE145 5.0 47.5 1.0 O C:SER142 5.0 43.6 1.0 C C:ARG208 5.0 47.6 1.0 C C:GLU244 5.0 50.5 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