Magnesium in PDB 3dus: Crystal Structure of SAG506-01, Orthorhombic, Twinned, Crystal 1

The structure of Crystal Structure of SAG506-01, Orthorhombic, Twinned, Crystal 1, PDB code: 3dus was solved by C.L.Brooks, R.J.Blackler, S.Gerstenbruch, P.Kosma, S.Muller-Loennies, H.Brade, S.V.Evans, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.81 / 1.95
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	72.470, 72.560, 85.910, 90.00, 90.00, 90.00
R / Rfree (%)	25.3 / 28.2

The binding sites of Magnesium atom in the Crystal Structure of SAG506-01, Orthorhombic, Twinned, Crystal 1 (pdb code 3dus). 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 SAG506-01, Orthorhombic, Twinned, Crystal 1, PDB code: 3dus:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of SAG506-01, Orthorhombic, Twinned, Crystal 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 SAG506-01, Orthorhombic, Twinned, Crystal 1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg109 b:34.7 occ:1.00 O A:HOH159 2.9 44.9 1.0 OE2 C:GLU55 2.9 44.2 1.0 O C:HOH153 2.9 42.9 1.0 OD1 D:ASP101 2.9 45.3 1.0 O A:HOH123 3.3 44.4 1.0 CB D:ASP101 3.6 41.7 1.0 CD C:GLU55 3.7 42.9 1.0 CG D:ASP101 3.7 45.5 1.0 OE1 C:GLU55 3.7 42.5 1.0 O A:HOH114 3.7 37.0 1.0 NH2 D:ARG94 4.2 45.3 1.0 OE2 A:GLU81 4.4 43.9 1.0 O A:HOH126 4.4 38.9 1.0 CG1 D:VAL99 4.5 43.1 1.0 CE2 D:TYR102 4.8 46.3 1.0 OE1 A:GLU81 4.8 36.7 1.0 O C:HOH144 4.8 44.2 1.0 CG2 D:VAL99 4.8 43.0 1.0 OE1 A:GLN79 4.9 46.0 1.0 OD2 D:ASP101 4.9 43.3 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of SAG506-01, Orthorhombic, Twinned, Crystal 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 SAG506-01, Orthorhombic, Twinned, Crystal 1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg110 b:30.8 occ:1.00 OE1 C:GLN79 3.3 46.7 1.0 OE1 C:GLU81 3.4 41.5 1.0 OE2 C:GLU81 4.0 46.7 1.0 CD C:GLN79 4.1 47.4 1.0 CD C:GLU81 4.1 43.7 1.0 NE2 C:GLN79 4.6 52.0 1.0 N C:ALA80 4.6 43.6 1.0 CB C:ALA80 4.8 40.8 1.0 CB C:GLN79 4.9 43.9 1.0

C.L.Brooks, R.J.Blackler, S.Gerstenbruch, P.Kosma, S.Muller-Loennies, H.Brade, S.V.Evans. Pseudo-Symmetry and Twinning in Crystals of Homologous Antibody Fv Fragments. Acta Crystallogr.,Sect.D V. 64 1250 2008.
ISSN: ISSN 0907-4449
PubMed: 19018101
DOI: 10.1107/S0907444908033453