Magnesium in PDB 1zsz: Crystal Structure of A Computationally Designed Sspb Heterodimer

The structure of Crystal Structure of A Computationally Designed Sspb Heterodimer, PDB code: 1zsz was solved by D.N.Bolon, R.A.Grant, T.A.Baker, R.T.Sauer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.15 / 2.00
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	120.004, 61.036, 62.385, 90.00, 110.87, 90.00
R / Rfree (%)	23.1 / 25.7

The binding sites of Magnesium atom in the Crystal Structure of A Computationally Designed Sspb Heterodimer (pdb code 1zsz). 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 A Computationally Designed Sspb Heterodimer, PDB code: 1zsz:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of A Computationally Designed Sspb Heterodimer


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 A Computationally Designed Sspb Heterodimer within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1001 b:21.5 occ:1.00 O A:ALA56 2.2 27.5 1.0 O A:THR59 2.3 33.1 1.0 C A:ALA56 3.3 28.6 1.0 C A:THR59 3.5 32.6 1.0 CA A:ALA56 4.0 28.4 1.0 OG1 A:THR59 4.3 30.5 1.0 CA A:GLY60 4.3 30.5 1.0 N A:GLY60 4.4 30.1 1.0 N A:SER57 4.4 30.7 1.0 N A:THR59 4.4 32.8 1.0 CB A:ALA56 4.5 31.4 1.0 CA A:THR59 4.5 32.2 1.0 O A:HOH1007 4.6 37.8 1.0 CA A:SER57 4.6 33.0 1.0 C A:SER57 4.7 33.6 1.0 O A:SER57 4.8 32.8 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of A Computationally Designed Sspb Heterodimer


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 A Computationally Designed Sspb Heterodimer within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1002 b:23.9 occ:1.00 O B:ALA56 2.2 33.4 1.0 O B:THR59 2.4 36.1 1.0 C B:ALA56 3.4 34.6 1.0 C B:THR59 3.6 37.6 1.0 CA B:ALA56 4.0 33.7 1.0 CA B:GLY60 4.2 35.8 1.0 N B:GLY60 4.3 36.7 1.0 OG1 B:THR59 4.4 35.2 1.0 N B:SER57 4.4 34.0 1.0 CB B:ALA56 4.5 34.9 1.0 N B:THR59 4.5 37.2 1.0 CA B:THR59 4.6 36.9 1.0 CA B:SER57 4.6 37.7 1.0 O B:HOH1026 4.8 37.5 1.0 C B:SER57 4.8 39.1 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of A Computationally Designed Sspb Heterodimer


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 A Computationally Designed Sspb Heterodimer within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg1003 b:40.6 occ:1.00 O C:ALA56 2.4 42.9 1.0 O C:THR59 2.5 38.4 1.0 C C:ALA56 3.5 41.4 1.0 C C:THR59 3.8 38.4 1.0 O C:HOH1022 4.2 44.2 1.0 CA C:SER57 4.3 43.9 1.0 N C:SER57 4.3 42.6 1.0 CA C:GLY60 4.4 34.5 1.0 CA C:ALA56 4.5 41.5 1.0 C C:SER57 4.6 43.6 1.0 N C:GLY60 4.6 36.6 1.0 N C:THR59 4.6 40.2 1.0 O C:HOH1017 4.7 48.2 1.0 CA C:THR59 4.8 38.5 1.0 O C:SER57 4.8 47.1 1.0 CB C:ALA56 4.9 40.8 1.0

D.N.Bolon, R.A.Grant, T.A.Baker, R.T.Sauer. Specificity Versus Stability in Computational Protein Design. Proc.Natl.Acad.Sci.Usa V. 102 12724 2005.
ISSN: ISSN 0027-8424
PubMed: 16129838
DOI: 10.1073/PNAS.0506124102