Calcium in PDB 2pwh: Crystal Structure of the Trehalulose Synthase Mutb From Pseudomonas Mesoacidophila Mx-45

All present enzymatic activity of Crystal Structure of the Trehalulose Synthase Mutb From Pseudomonas Mesoacidophila Mx-45:
5.4.99.1;

The structure of Crystal Structure of the Trehalulose Synthase Mutb From Pseudomonas Mesoacidophila Mx-45, PDB code: 2pwh was solved by S.Ravaud, X.Robert, R.Haser, N.Aghajari, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.56 / 2.00
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	63.580, 71.540, 81.750, 67.66, 73.04, 70.44
R / Rfree (%)	17.2 / 21.5

The binding sites of Calcium atom in the Crystal Structure of the Trehalulose Synthase Mutb From Pseudomonas Mesoacidophila Mx-45 (pdb code 2pwh). 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 From Pseudomonas Mesoacidophila Mx-45, PDB code: 2pwh:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of the Trehalulose Synthase Mutb From Pseudomonas Mesoacidophila Mx-45


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 From Pseudomonas Mesoacidophila Mx-45 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca7001 b:23.0 occ:1.00 O A:ILE28 2.3 15.4 1.0 OD2 A:ASP30 2.3 15.4 1.0 OD1 A:ASN24 2.4 20.4 1.0 OD1 A:ASP22 2.4 17.3 1.0 O A:HOH4715 2.4 25.6 1.0 OD1 A:ASP26 2.6 16.0 1.0 O A:HOH4531 2.6 27.6 1.0 CG A:ASP22 3.2 16.5 1.0 CG A:ASP26 3.3 16.1 1.0 CG A:ASP30 3.4 13.3 1.0 CG A:ASN24 3.5 22.6 1.0 C A:ILE28 3.5 15.9 1.0 OD2 A:ASP26 3.5 18.7 1.0 CB A:ASP30 3.8 12.4 1.0 OD2 A:ASP22 4.0 16.9 1.0 CB A:ASP22 4.0 17.5 1.0 N A:THR23 4.1 18.5 1.0 CA A:ASP22 4.2 16.0 1.0 ND2 A:ASN24 4.2 22.2 1.0 N A:ILE28 4.2 17.1 1.0 N A:ASN24 4.2 19.0 1.0 C A:GLY29 4.3 11.4 1.0 CA A:ILE28 4.3 16.1 1.0 O A:GLU75 4.3 17.7 1.0 O A:GLY29 4.4 11.9 1.0 N A:ASP30 4.4 10.9 1.0 OD1 A:ASP30 4.5 12.8 1.0 N A:GLY29 4.5 13.1 1.0 CB A:ILE28 4.5 15.8 1.0 CB A:ASN24 4.6 19.8 1.0 N A:ASP26 4.6 19.0 1.0 CA A:GLY29 4.6 11.1 1.0 CB A:ASP26 4.6 17.9 1.0 C A:ASP22 4.6 17.6 1.0 O A:HOH5510 4.7 44.2 1.0 CA A:ASP30 4.7 10.8 1.0 CA A:ASN24 4.8 20.1 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of the Trehalulose Synthase Mutb From Pseudomonas Mesoacidophila Mx-45


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 From Pseudomonas Mesoacidophila Mx-45 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca7000 b:22.2 occ:1.00 OD1 B:ASP22 2.2 20.7 1.0 O B:HOH4405 2.2 31.2 1.0 OD1 B:ASN24 2.3 24.4 1.0 OD2 B:ASP30 2.4 18.8 1.0 O B:ILE28 2.4 16.5 1.0 O B:HOH4097 2.5 26.3 1.0 OD1 B:ASP26 2.6 15.1 1.0 CG B:ASP22 3.2 21.3 1.0 CG B:ASP26 3.4 15.6 1.0 CG B:ASN24 3.4 23.9 1.0 CG B:ASP30 3.4 15.8 1.0 C B:ILE28 3.6 16.0 1.0 OD2 B:ASP26 3.6 16.2 1.0 CB B:ASP30 3.9 16.0 1.0 ND2 B:ASN24 4.0 25.7 1.0 OD2 B:ASP22 4.0 22.4 1.0 CB B:ASP22 4.1 19.6 1.0 O B:GLU75 4.2 17.5 1.0 N B:THR23 4.2 19.2 1.0 CA B:ASP22 4.2 18.8 1.0 N B:ILE28 4.2 16.3 1.0 C B:GLY29 4.3 13.9 1.0 N B:ASN24 4.3 21.0 1.0 CA B:ILE28 4.3 16.4 1.0 O B:GLY29 4.4 12.7 1.0 N B:ASP30 4.5 14.7 1.0 CB B:ILE28 4.5 17.4 1.0 OD1 B:ASP30 4.5 17.0 1.0 N B:GLY29 4.6 14.5 1.0 CB B:ASN24 4.6 22.3 1.0 CB B:ASP26 4.6 18.0 1.0 N B:ASP26 4.6 20.5 1.0 CA B:GLY29 4.7 13.7 1.0 C B:ASP22 4.7 19.2 1.0 CA B:ASP30 4.8 14.6 1.0 CA B:ASN24 4.9 22.2 1.0

S.Ravaud, X.Robert, H.Watzlawick, R.Haser, R.Mattes, N.Aghajari. Trehalulose Synthase Native and Carbohydrate Complexed Structures Provide Insights Into Sucrose Isomerization. J.Biol.Chem. V. 61 100 2007.
ISSN: ISSN 0021-9258
PubMed: 17597061
DOI: 10.1074/JBC.M704515200