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Magnesium in PDB 4otz: The Crystal Structure of A Solute-Binding Protein (N280D Mutant) From Anabaena Variabilis Atcc 29413 in Complex with Cystein

Protein crystallography data

The structure of The Crystal Structure of A Solute-Binding Protein (N280D Mutant) From Anabaena Variabilis Atcc 29413 in Complex with Cystein, PDB code: 4otz was solved by K.Tan, H.Li, R.Jedrzejczak, A.Joachimiak, Midwest Center For Structuralgenomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 25.85 / 1.36
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 98.738, 100.952, 150.458, 90.00, 90.00, 90.00
R / Rfree (%) 13.9 / 16.7

Magnesium Binding Sites:

The binding sites of Magnesium atom in the The Crystal Structure of A Solute-Binding Protein (N280D Mutant) From Anabaena Variabilis Atcc 29413 in Complex with Cystein (pdb code 4otz). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the The Crystal Structure of A Solute-Binding Protein (N280D Mutant) From Anabaena Variabilis Atcc 29413 in Complex with Cystein, PDB code: 4otz:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 4otz

Go back to Magnesium Binding Sites List in 4otz
Magnesium binding site 1 out of 2 in the The Crystal Structure of A Solute-Binding Protein (N280D Mutant) From Anabaena Variabilis Atcc 29413 in Complex with Cystein


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The Crystal Structure of A Solute-Binding Protein (N280D Mutant) From Anabaena Variabilis Atcc 29413 in Complex with Cystein within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg502

b:16.4
occ:1.00
O A:ILE388 2.4 17.6 1.0
O A:HOH990 2.4 25.0 1.0
O A:GLY163 2.4 17.8 1.0
O A:VAL166 2.5 15.0 1.0
O A:PRO160 2.5 17.4 1.0
O A:HOH909 3.2 43.5 1.0
C A:ILE388 3.3 18.0 1.0
C A:GLY163 3.5 16.5 1.0
C A:PRO160 3.5 17.1 1.0
C A:VAL166 3.6 13.3 1.0
CA A:PRO160 3.9 17.6 1.0
N A:VAL166 4.0 13.3 1.0
O A:HOH770 4.0 32.4 1.0
N A:GLY389 4.1 17.0 1.0
CB A:PRO160 4.1 19.6 1.0
CA A:ASP164 4.2 18.3 1.0
CA A:GLY389 4.2 17.1 1.0
CA A:VAL166 4.2 13.0 1.0
CA A:ILE388 4.2 21.1 1.0
N A:ASP164 4.3 16.6 1.0
C A:ASP164 4.3 16.8 1.0
CB A:VAL166 4.4 13.8 1.0
CG1 A:ILE388 4.4 28.7 1.0
O A:HOH603 4.5 24.8 1.0
N A:GLY163 4.5 16.7 1.0
O A:ASP164 4.5 17.4 1.0
CA A:GLY163 4.6 17.5 1.0
N A:TYR165 4.7 14.8 1.0
N A:GLU161 4.7 17.8 1.0
N A:ALA167 4.7 13.0 1.0
CB A:ILE388 4.8 24.4 1.0

Magnesium binding site 2 out of 2 in 4otz

Go back to Magnesium Binding Sites List in 4otz
Magnesium binding site 2 out of 2 in the The Crystal Structure of A Solute-Binding Protein (N280D Mutant) From Anabaena Variabilis Atcc 29413 in Complex with Cystein


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of The Crystal Structure of A Solute-Binding Protein (N280D Mutant) From Anabaena Variabilis Atcc 29413 in Complex with Cystein within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg502

b:17.2
occ:1.00
O B:HOH619 2.4 40.8 1.0
O B:ILE388 2.4 20.4 1.0
O B:GLY163 2.4 19.2 1.0
O B:VAL166 2.5 15.2 1.0
O B:PRO160 2.5 17.4 1.0
C B:ILE388 3.4 19.4 1.0
C B:GLY163 3.5 19.1 1.0
C B:PRO160 3.5 16.8 1.0
O B:HOH939 3.6 41.2 1.0
C B:VAL166 3.6 14.5 1.0
CA B:PRO160 3.9 16.9 1.0
N B:VAL166 4.0 14.4 1.0
CB B:PRO160 4.1 19.6 1.0
N B:GLY389 4.2 17.2 1.0
CA B:ASP164 4.2 19.6 1.0
CA B:VAL166 4.2 14.1 1.0
CA B:GLY389 4.2 17.3 1.0
CA B:ILE388 4.2 20.4 1.0
O B:HOH941 4.3 36.0 1.0
N B:ASP164 4.3 19.2 1.0
C B:ASP164 4.3 18.7 1.0
CG1 B:ILE388 4.3 24.7 1.0
CB B:VAL166 4.4 13.9 1.0
N B:GLY163 4.5 19.8 1.0
CA B:GLY163 4.6 19.8 1.0
O B:ASP164 4.6 20.0 1.0
N B:GLU161 4.7 17.2 1.0
N B:ALA167 4.7 14.8 1.0
N B:TYR165 4.7 16.5 1.0
CB B:ILE388 4.9 22.1 1.0

Reference:

K.Tan, H.Li, R.Jedrzejczak, A.Joachimiak. The Crystal Structure of A Solute-Binding Protein (N280D Mutant) From Anabaena Variabilis Atcc 29413 in Complex with Cystein To Be Published.
Page generated: Tue Aug 20 00:59:58 2024

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