Magnesium in PDB 3duu: Crystal Structure of SAG506-01, Orthorhombic, Twinned, Crystal 2

The structure of Crystal Structure of SAG506-01, Orthorhombic, Twinned, Crystal 2, PDB code: 3duu 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)	19.89 / 1.95
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	71.600, 71.760, 86.210, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / 21.7

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

Magnesium binding site 1 out of 3 in the Crystal Structure of SAG506-01, Orthorhombic, Twinned, Crystal 2


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 2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg112 b:34.1 occ:1.00 O A:HOH128 2.6 26.7 1.0 OE1 A:GLN79 4.6 38.6 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of SAG506-01, Orthorhombic, Twinned, Crystal 2


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 2 within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg111 b:35.5 occ:1.00 O C:HOH117 2.4 22.5 1.0 O B:HOH132 2.5 22.1 1.0 O A:HOH151 2.6 24.7 1.0 OE1 C:GLN79 2.6 31.1 1.0 O C:HOH126 2.9 23.7 1.0 O B:HOH133 3.4 25.6 1.0 CD C:GLN79 3.6 35.0 1.0 OG A:SER56 3.8 33.6 1.0 NE2 C:GLN79 4.1 31.3 1.0 OE1 A:GLU55 4.1 28.3 1.0 OD1 B:ASP101 4.4 20.6 1.0 OE1 C:GLU81 4.6 29.9 1.0 O C:HOH135 4.6 29.9 1.0 OE2 A:GLU55 4.7 25.2 1.0 CG C:GLN79 4.7 32.5 1.0 NH2 B:ARG94 4.8 24.9 1.0 CD A:GLU55 4.8 24.6 1.0 OE2 C:GLU81 4.8 26.7 1.0 OH B:TYR102 4.8 32.0 1.0 CB A:SER56 4.9 25.1 1.0 CE2 B:TYR102 5.0 27.0 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of SAG506-01, Orthorhombic, Twinned, Crystal 2


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 SAG506-01, Orthorhombic, Twinned, Crystal 2 within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg113 b:24.2 occ:1.00 O D:HOH154 2.6 25.8 1.0 O C:HOH122 3.1 27.9 1.0 O C:HOH152 3.2 40.9 1.0 OE1 C:GLU55 4.4 32.4 1.0 OE2 C:GLU55 4.5 29.9 1.0 O D:HOH129 4.5 23.5 1.0 OG C:SER56 4.6 40.7 1.0 CD C:GLU55 4.9 30.3 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