Calcium in PDB 4gi9: Crystal Structure of the Mutb F164L Mutant From Crystals Soaked with Trehalulose

All present enzymatic activity of Crystal Structure of the Mutb F164L Mutant From Crystals Soaked with Trehalulose:
5.4.11.99;

The structure of Crystal Structure of the Mutb F164L Mutant From Crystals Soaked with Trehalulose, PDB code: 4gi9 was solved by A.Lipski, R.Haser, N.Aghajari, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	14.87 / 2.15
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	63.900, 85.930, 118.720, 90.00, 97.92, 90.00
R / Rfree (%)	19.2 / 26

The binding sites of Calcium atom in the Crystal Structure of the Mutb F164L Mutant From Crystals Soaked with Trehalulose (pdb code 4gi9). 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 Mutb F164L Mutant From Crystals Soaked with Trehalulose, PDB code: 4gi9:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of the Mutb F164L Mutant From Crystals Soaked 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 Mutb F164L Mutant From Crystals Soaked with Trehalulose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca7001 b:15.3 occ:1.00 OD1 A:ASP22 2.2 16.9 1.0 OD2 A:ASP30 2.3 12.2 1.0 O A:HOH7157 2.3 23.0 1.0 O A:ILE28 2.4 13.8 1.0 OD1 A:ASP26 2.4 14.9 1.0 OD1 A:ASN24 2.5 20.4 1.0 CG A:ASP22 3.2 17.7 1.0 CG A:ASP26 3.3 15.7 1.0 CG A:ASP30 3.4 11.5 1.0 OD2 A:ASP26 3.5 18.1 1.0 C A:ILE28 3.6 13.0 1.0 CG A:ASN24 3.7 18.7 1.0 CB A:ASP30 3.8 12.1 1.0 OD2 A:ASP22 3.9 18.3 1.0 CB A:ASP22 4.2 16.2 1.0 CA A:ASP22 4.2 16.7 1.0 O A:GLY29 4.2 11.5 1.0 N A:THR23 4.2 19.9 1.0 C A:GLY29 4.2 11.1 1.0 N A:ILE28 4.2 12.6 1.0 N A:ASN24 4.3 20.8 1.0 CA A:ILE28 4.3 12.4 1.0 ND2 A:ASN24 4.4 16.8 1.0 O A:GLU75 4.4 13.4 1.0 CB A:ILE28 4.4 12.3 1.0 OD1 A:ASP30 4.5 11.5 1.0 N A:GLY29 4.6 11.7 1.0 N A:ASP30 4.6 10.8 1.0 CA A:GLY29 4.6 11.3 1.0 CB A:ASP26 4.7 14.9 1.0 C A:ASP22 4.7 18.2 1.0 CB A:ASN24 4.7 18.7 1.0 N A:ASP26 4.8 17.1 1.0 CA A:ASP30 4.8 11.2 1.0 CA A:ASN24 4.9 20.2 1.0 CG2 A:ILE28 4.9 12.8 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of the Mutb F164L Mutant From Crystals Soaked 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 Mutb F164L Mutant From Crystals Soaked with Trehalulose within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca601 b:14.1 occ:1.00 OD1 B:ASP22 2.3 13.1 1.0 OD1 B:ASP26 2.4 17.9 1.0 OD1 B:ASN24 2.4 17.4 1.0 O B:ILE28 2.4 14.2 1.0 O B:HOH936 2.4 16.0 1.0 O B:HOH916 2.5 19.6 1.0 OD2 B:ASP30 2.6 15.3 1.0 CG B:ASP26 3.2 18.4 1.0 CG B:ASP22 3.3 13.0 1.0 CG B:ASN24 3.4 18.1 1.0 OD2 B:ASP26 3.5 20.6 1.0 C B:ILE28 3.6 13.5 1.0 CG B:ASP30 3.6 15.1 1.0 CB B:ASP30 3.9 14.2 1.0 OD2 B:ASP22 4.0 12.9 1.0 N B:ASN24 4.1 18.8 1.0 ND2 B:ASN24 4.1 18.2 1.0 N B:THR23 4.2 14.9 1.0 N B:ILE28 4.2 13.2 1.0 CB B:ASP22 4.3 13.1 1.0 CA B:ASP22 4.3 13.7 1.0 C B:GLY29 4.4 13.6 1.0 CA B:ILE28 4.4 13.3 1.0 O B:GLY29 4.4 14.7 1.0 O B:GLU75 4.5 13.6 1.0 N B:ASP26 4.5 19.7 1.0 CB B:ASP26 4.5 18.6 1.0 CB B:ASN24 4.5 17.9 1.0 N B:GLY29 4.6 12.9 1.0 CB B:ILE28 4.6 13.7 1.0 CA B:GLY29 4.7 13.0 1.0 CA B:ASN24 4.7 19.1 1.0 C B:ASP22 4.7 15.0 1.0 OD1 B:ASP30 4.7 15.2 1.0 N B:ASP30 4.7 14.0 1.0 C B:ASN24 4.9 19.9 1.0 N B:GLY25 4.9 20.5 1.0 N B:GLY27 4.9 17.5 1.0 CA B:ASP26 4.9 17.8 1.0 CA B:ASP30 4.9 14.9 1.0

A.Lipski, H.Watzlawick, S.Ravaud, X.Robert, M.Rhimi, R.Haser, R.Mattes, N.Aghajari. Mutations Inducing An Active-Site Aperture in Rhizobium Sp. Sucrose Isomerase Confer Hydrolytic Activity Acta Crystallogr.,Sect.D V. 69 298 2013.
ISSN: ISSN 0907-4449
PubMed: 23385465
DOI: 10.1107/S0907444912045532