Magnesium in PDB 4xzu: Crystal Structure of the Human Factor VIII C2 Domain in Complex with Murine 3E6 Inhibitory Antibody

The structure of Crystal Structure of the Human Factor VIII C2 Domain in Complex with Murine 3E6 Inhibitory Antibody, PDB code: 4xzu was solved by P.C.Spiegel, M.E.Wuerth, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.78 / 2.61
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	43.229, 148.492, 188.417, 90.00, 90.00, 90.00
R / Rfree (%)	19.9 / 26.7

The binding sites of Magnesium atom in the Crystal Structure of the Human Factor VIII C2 Domain in Complex with Murine 3E6 Inhibitory Antibody (pdb code 4xzu). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of the Human Factor VIII C2 Domain in Complex with Murine 3E6 Inhibitory Antibody, PDB code: 4xzu:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of the Human Factor VIII C2 Domain in Complex with Murine 3E6 Inhibitory Antibody


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 the Human Factor VIII C2 Domain in Complex with Murine 3E6 Inhibitory Antibody within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:75.5 occ:1.00 OG1 A:THR134 1.7 77.5 1.0 OG1 A:THR135 2.6 82.6 1.0 CB A:THR134 3.1 77.7 1.0 CG2 A:THR134 3.6 64.2 1.0 SG A:CYS131 3.6 88.0 1.0 C A:THR134 3.6 76.6 1.0 O A:THR134 3.6 81.2 1.0 O A:VAL130 3.6 67.7 1.0 CB A:THR135 3.9 82.3 1.0 CA A:THR134 3.9 80.1 1.0 N A:THR135 4.0 78.3 1.0 CA A:THR135 4.2 78.0 1.0 CB A:CYS131 4.3 77.0 1.0 CG2 A:THR135 4.7 76.7 1.0 C A:VAL130 4.7 68.3 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of the Human Factor VIII C2 Domain in Complex with Murine 3E6 Inhibitory Antibody


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 the Human Factor VIII C2 Domain in Complex with Murine 3E6 Inhibitory Antibody within 5.0Å range: probe atom residue distance (Å) B Occ M:Mg2401 b:38.5 occ:1.00 O M:TYR2195 2.9 36.1 1.0 N M:TYR2195 3.5 33.7 1.0 NE2 M:GLN2222 3.5 50.5 1.0 CD M:GLN2222 3.6 51.5 1.0 C M:TYR2195 3.9 36.6 1.0 CG M:GLN2222 3.9 43.7 1.0 OE1 M:GLN2222 4.0 53.4 1.0 CB M:GLN2222 4.2 39.4 1.0 CA M:TYR2195 4.2 35.2 1.0 CA M:SER2194 4.3 30.3 1.0 CB M:SER2194 4.3 31.7 1.0 CD1 M:TYR2195 4.3 29.0 1.0 C M:SER2194 4.4 32.2 1.0 CG M:TYR2195 4.5 35.0 1.0 CE1 M:TYR2195 4.6 31.8 1.0 CD2 M:TYR2195 4.8 36.3 1.0 CZ M:TYR2195 4.9 38.0 1.0 CB M:TYR2195 5.0 36.3 1.0 CE2 M:TYR2195 5.0 33.5 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of the Human Factor VIII C2 Domain in Complex with Murine 3E6 Inhibitory Antibody


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of the Human Factor VIII C2 Domain in Complex with Murine 3E6 Inhibitory Antibody within 5.0Å range: probe atom residue distance (Å) B Occ F:Mg301 b:96.4 occ:1.00 OE1 F:GLU122 2.2 0.5 1.0 CB F:SER120 2.4 0.0 1.0 N F:SER121 2.5 0.5 1.0 CA F:SER120 2.8 0.4 1.0 C F:SER120 3.0 1.0 1.0 OG F:SER121 3.2 0.8 1.0 N F:GLU122 3.3 0.3 1.0 CD F:GLU122 3.3 0.6 1.0 OG F:SER120 3.5 0.5 1.0 CA F:SER121 3.6 0.6 1.0 CG F:GLU122 3.9 0.3 1.0 C F:SER121 4.0 0.8 1.0 CB F:SER121 4.0 0.8 1.0 O F:SER120 4.1 0.9 1.0 CB F:GLU122 4.1 99.9 1.0 N F:SER120 4.2 0.9 1.0 CA F:GLU122 4.3 0.3 1.0 CG E:PRO126 4.3 85.9 1.0 OE2 F:GLU122 4.4 0.0 1.0 CD E:PRO126 4.7 84.2 1.0

M.E.Wuerth, R.K.Cragerud, P.Clint Spiegel. Structure of the Human Factor VIII C2 Domain in Complex with the 3E6 Inhibitory Antibody. Sci Rep V. 5 17216 2015.
ISSN: ESSN 2045-2322
PubMed: 26598467
DOI: 10.1038/SREP17216