Magnesium in PDB 4um8: Crystal Structure of Alpha V Beta 6

The structure of Crystal Structure of Alpha V Beta 6, PDB code: 4um8 was solved by X.Dong, T.A.Springer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.656 / 2.85
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	184.450, 170.010, 102.390, 90.00, 98.68, 90.00
R / Rfree (%)	23.84 / 28.08

The structure of Crystal Structure of Alpha V Beta 6 also contains other interesting chemical elements:

Nickel	(Ni)	1 atom
Arsenic	(As)	2 atoms
Chlorine	(Cl)	3 atoms
Calcium	(Ca)	10 atoms

The binding sites of Magnesium atom in the Crystal Structure of Alpha V Beta 6 (pdb code 4um8). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Alpha V Beta 6, PDB code: 4um8:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Alpha V Beta 6


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 Alpha V Beta 6 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg2001 b:63.2 occ:1.00 OD2 B:ASP123 2.1 38.2 1.0 OG B:SER125 2.1 97.5 1.0 OE2 B:GLU223 2.1 73.2 1.0 OD1 B:ASP254 2.2 75.7 1.0 CG B:ASP123 3.1 63.5 1.0 CB B:SER125 3.1 83.1 1.0 CD B:GLU223 3.2 60.5 1.0 CG B:ASP254 3.3 61.4 1.0 OD1 B:ASP123 3.5 91.5 1.0 OE1 B:GLU223 3.6 64.4 1.0 OG B:SER127 3.7 69.7 1.0 OD2 B:ASP254 3.8 55.2 1.0 CB B:ASP123 4.2 60.8 1.0 OG B:SER253 4.2 56.1 1.0 N B:ASP254 4.2 22.2 1.0 CG B:MET128 4.2 73.0 1.0 CB B:ALA255 4.3 64.3 1.0 CG B:GLU223 4.4 48.5 1.0 CA B:SER125 4.4 58.5 1.0 CB B:ASP254 4.5 40.5 1.0 C B:ASP254 4.6 45.3 1.0 N B:ALA255 4.6 28.6 1.0 N B:SER125 4.6 40.9 1.0 CA B:ASP254 4.7 34.3 1.0 O B:ILE219 4.7 0.1 1.0 SD B:MET128 4.8 62.3 1.0 O B:HOH4017 4.8 30.2 1.0 O B:ASP254 5.0 44.7 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Alpha V Beta 6


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Alpha V Beta 6 within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg2001 b:0.5 occ:1.00 O D:HOH4003 2.1 65.0 1.0 OD2 D:ASP123 2.1 70.0 1.0 OG D:SER125 2.1 89.0 1.0 OE2 D:GLU223 2.1 53.3 1.0 OD1 D:ASP254 2.1 92.2 1.0 CB D:SER125 2.9 86.3 1.0 CG D:ASP123 3.0 87.0 1.0 CD D:GLU223 3.1 66.5 1.0 CG D:ASP254 3.2 84.2 1.0 OD1 D:ASP123 3.5 0.4 1.0 OE1 D:GLU223 3.5 85.3 1.0 OD2 D:ASP254 3.7 77.5 1.0 CB D:ASP123 4.1 81.5 1.0 OG D:SER253 4.1 58.0 1.0 OG D:SER127 4.1 93.1 1.0 N D:ASP254 4.2 50.2 1.0 CG D:GLU223 4.2 49.0 1.0 CA D:SER125 4.3 66.8 1.0 CB D:ALA255 4.3 79.7 1.0 CG D:MET128 4.4 90.4 1.0 N D:SER125 4.5 64.6 1.0 CB D:ASP254 4.5 65.3 1.0 C D:ASP254 4.5 62.6 1.0 N D:ALA255 4.6 58.4 1.0 CA D:ASP254 4.6 52.8 1.0 O D:ILE219 4.8 82.4 1.0 O D:ASP254 5.0 68.3 1.0 SD D:MET128 5.0 0.1 1.0

X.Dong, N.E.Hudson, C.Lu, T.A.Springer. Structural Determinants of Integrin Beta-Subunit Specificity For Latent Tgf-Beta Nat.Struct.Mol.Biol. 2014.
ISSN: ESSN 1545-9985
PubMed: 25383667
DOI: 10.1038/NSMB.2905