Calcium in PDB 4h8v: Crystal Structure of the Trehalulose Synthase Mutb in Complex with Trehalulose

All present enzymatic activity of Crystal Structure of the Trehalulose Synthase Mutb in Complex with Trehalulose:
5.4.11.99;

The structure of Crystal Structure of the Trehalulose Synthase Mutb in Complex with Trehalulose, PDB code: 4h8v was solved by A.Lipski, S.Ravaud, R.Haser, N.Aghajari, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.50 / 1.95
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	64.270, 73.920, 82.960, 66.07, 74.56, 72.55
R / Rfree (%)	19.7 / 25.4

The binding sites of Calcium atom in the Crystal Structure of the Trehalulose Synthase Mutb in Complex with Trehalulose (pdb code 4h8v). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of the Trehalulose Synthase Mutb in Complex with Trehalulose, PDB code: 4h8v:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of the Trehalulose Synthase Mutb in Complex with Trehalulose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of the Trehalulose Synthase Mutb in Complex with Trehalulose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca601 b:34.9 occ:1.00 OD1 A:ASN24 2.2 37.6 1.0 O A:ILE28 2.3 29.0 1.0 OD1 A:ASP22 2.3 30.0 1.0 OD2 A:ASP30 2.3 30.0 1.0 O A:HOH931 2.3 36.6 1.0 O A:HOH973 2.5 40.7 1.0 OD1 A:ASP26 2.5 33.2 1.0 CG A:ASP22 3.3 33.3 1.0 CG A:ASP26 3.3 35.9 1.0 CG A:ASN24 3.3 39.1 1.0 CG A:ASP30 3.4 33.2 1.0 C A:ILE28 3.5 30.6 1.0 OD2 A:ASP26 3.5 40.5 1.0 CB A:ASP30 4.0 31.2 1.0 ND2 A:ASN24 4.0 36.7 1.0 OD2 A:ASP22 4.0 35.8 1.0 CB A:ASP22 4.1 32.6 1.0 N A:ASN24 4.2 35.1 1.0 N A:THR23 4.2 29.9 1.0 CA A:ASP22 4.2 29.7 1.0 N A:ILE28 4.3 27.3 1.0 C A:GLY29 4.3 25.8 1.0 CA A:ILE28 4.3 26.5 1.0 O A:GLU75 4.4 36.4 1.0 N A:GLY29 4.5 23.0 1.0 N A:ASP30 4.5 31.7 1.0 O A:GLY29 4.5 29.0 1.0 CB A:ASN24 4.5 29.9 1.0 OD1 A:ASP30 4.5 36.2 1.0 CB A:ILE28 4.5 29.4 1.0 CA A:GLY29 4.5 23.1 1.0 CB A:ASP26 4.6 33.9 1.0 N A:ASP26 4.6 31.5 1.0 C A:ASP22 4.7 30.4 1.0 CA A:ASN24 4.7 37.4 1.0 CA A:ASP30 4.8 27.0 1.0 N A:GLY25 4.9 36.3 1.0 C A:ASN24 4.9 40.0 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of the Trehalulose Synthase Mutb in Complex with Trehalulose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of the Trehalulose Synthase Mutb in Complex with Trehalulose within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca7001 b:34.0 occ:1.00 OD1 B:ASN24 2.3 36.1 1.0 OD1 B:ASP22 2.3 34.6 1.0 O B:HOH7283 2.3 29.9 1.0 O B:ILE28 2.4 23.8 1.0 OD2 B:ASP30 2.5 28.9 1.0 OD1 B:ASP26 2.5 30.7 1.0 O B:HOH7149 2.6 36.8 1.0 CG B:ASP26 3.2 39.8 1.0 CG B:ASP22 3.3 38.0 1.0 CG B:ASN24 3.4 38.1 1.0 OD2 B:ASP26 3.4 34.7 1.0 CG B:ASP30 3.5 32.7 1.0 C B:ILE28 3.6 28.6 1.0 CB B:ASP30 3.9 28.4 1.0 ND2 B:ASN24 4.0 40.5 1.0 OD2 B:ASP22 4.1 28.2 1.0 CB B:ASP22 4.1 32.0 1.0 N B:THR23 4.1 27.8 1.0 N B:ASN24 4.2 35.1 1.0 CA B:ASP22 4.2 25.2 1.0 N B:ILE28 4.3 27.6 1.0 CA B:ILE28 4.4 29.9 1.0 O B:GLU75 4.4 35.3 1.0 C B:GLY29 4.5 26.1 1.0 CB B:ASP26 4.5 33.2 1.0 CB B:ASN24 4.5 32.8 1.0 CB B:ILE28 4.5 27.3 1.0 O B:GLY29 4.6 27.4 1.0 N B:GLY29 4.6 29.3 1.0 N B:ASP26 4.6 32.4 1.0 C B:ASP22 4.7 33.6 1.0 OD1 B:ASP30 4.7 33.4 1.0 N B:ASP30 4.7 23.8 1.0 CA B:ASN24 4.7 35.2 1.0 CA B:GLY29 4.7 24.6 1.0 C B:ASN24 4.9 31.8 1.0 CG2 B:ILE28 4.9 27.6 1.0 CA B:ASP30 4.9 29.2 1.0 CA B:ASP26 5.0 29.3 1.0

A.Lipski, H.Watzlawick, S.Ravaud, X.Robert, R.Haser, R.Mattes, N.Aghajari. Insights Into Product Binding in Sucrose Isomerases From Crystal Structures of Mutb From Rhizobium Sp. To Be Published.