Magnesium in PDB 3v4p: Crystal Structure of A4B7 Headpiece Complexed with Fab Act-1

The structure of Crystal Structure of A4B7 Headpiece Complexed with Fab Act-1, PDB code: 3v4p was solved by Y.Yu, J.Zhu, T.A.Springer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.13 / 3.15
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	137.780, 122.740, 158.140, 90.00, 115.38, 90.00
R / Rfree (%)	22 / 25.1

The structure of Crystal Structure of A4B7 Headpiece Complexed with Fab Act-1 also contains other interesting chemical elements:

Calcium

(Ca)

10 atoms

The binding sites of Magnesium atom in the Crystal Structure of A4B7 Headpiece Complexed with Fab Act-1 (pdb code 3v4p). 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 A4B7 Headpiece Complexed with Fab Act-1, PDB code: 3v4p:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of A4B7 Headpiece Complexed with Fab Act-1


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 A4B7 Headpiece Complexed with Fab Act-1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg2001 b:0.2 occ:1.00 OE2 B:GLU240 2.9 88.3 1.0 O B:HOH2101 3.1 0.3 1.0 OG B:SER144 3.1 0.5 1.0 OG B:SER142 3.2 80.9 1.0 CB B:SER142 3.2 78.8 1.0 OD2 B:ASP271 3.2 78.3 0.5 OD1 B:ASP271 3.3 92.2 0.5 O B:HOH2104 3.6 47.2 1.0 CG B:ASP271 3.6 0.6 0.5 CD B:GLU240 4.1 0.3 1.0 CB B:SER144 4.1 0.7 1.0 OD2 B:ASP270 4.3 0.6 1.0 OD1 B:ASP270 4.3 0.1 1.0 O B:SER238 4.5 66.7 1.0 N B:SER144 4.6 0.0 1.0 CA B:SER142 4.6 86.2 1.0 CG B:ASP270 4.7 0.4 1.0 OE1 B:GLU240 4.7 0.6 1.0 OD2 B:ASP140 4.8 52.4 1.0 N B:TYR143 4.9 0.4 1.0 C B:SER142 4.9 0.4 1.0 CA B:SER144 5.0 0.0 1.0 CB B:ASP271 5.0 0.8 0.5

Magnesium binding site 2 out of 2 in the Crystal Structure of A4B7 Headpiece Complexed with Fab Act-1


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 A4B7 Headpiece Complexed with Fab Act-1 within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg2001 b:0.8 occ:1.00 OE2 D:GLU240 2.8 0.9 1.0 OD2 D:ASP271 2.9 87.8 0.5 O D:HOH2106 3.0 95.1 1.0 OD1 D:ASP271 3.0 0.7 0.5 O D:HOH2105 3.0 0.2 1.0 OG D:SER144 3.1 0.7 1.0 OG D:SER142 3.2 89.4 1.0 CG D:ASP271 3.3 0.9 0.5 CB D:SER142 3.4 88.5 1.0 CD D:GLU240 4.0 0.9 1.0 OD1 D:ASP270 4.0 0.4 1.0 OD2 D:ASP270 4.1 0.8 1.0 CB D:SER144 4.2 0.5 1.0 O D:SER238 4.4 89.5 1.0 CG D:ASP270 4.4 0.4 1.0 O D:HOH2101 4.5 78.6 1.0 OD2 D:ASP140 4.6 88.2 1.0 CB D:ASP271 4.6 0.7 0.5 CB D:ASP271 4.7 0.9 0.5 OE1 D:GLU240 4.7 0.9 1.0 N D:SER144 4.8 0.8 1.0 CA D:SER142 4.8 0.5 1.0 CG D:GLU240 4.9 0.0 1.0

Y.Yu, J.Zhu, L.Z.Mi, T.Walz, H.Sun, J.Chen, T.A.Springer. Structural Specializations of A4B7, An Integrin That Mediates Rolling Adhesion J.Cell Biol. V. 196 131 2012.
ISSN: ISSN 0021-9525
PubMed: 22232704
DOI: 10.1083/JCB.201110023