Calcium in PDB 4gi6: Crystal Structure of the Mutb F164L Mutant in Complex with Glucose

All present enzymatic activity of Crystal Structure of the Mutb F164L Mutant in Complex with Glucose:
5.4.11.99;

The structure of Crystal Structure of the Mutb F164L Mutant in Complex with Glucose, PDB code: 4gi6 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)	14.91 / 2.15
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	63.900, 86.300, 118.300, 90.00, 97.82, 90.00
R / Rfree (%)	16.9 / 21.9

The binding sites of Calcium atom in the Crystal Structure of the Mutb F164L Mutant in Complex with Glucose (pdb code 4gi6). 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 in Complex with Glucose, PDB code: 4gi6:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of the Mutb F164L Mutant in Complex with Glucose


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 in Complex with Glucose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca601 b:18.2 occ:1.00 O A:ILE28 2.4 16.5 1.0 OD1 A:ASP26 2.4 22.5 1.0 O A:HOH4133 2.4 26.5 1.0 OD1 A:ASP22 2.4 16.1 1.0 OD2 A:ASP30 2.5 16.2 1.0 OD1 A:ASN24 2.5 19.6 1.0 CG A:ASP26 3.3 23.6 1.0 CG A:ASP22 3.3 15.2 1.0 CG A:ASP30 3.5 15.3 1.0 C A:ILE28 3.5 16.9 1.0 CG A:ASN24 3.6 19.5 1.0 OD2 A:ASP26 3.7 24.6 1.0 CB A:ASP30 3.9 14.9 1.0 OD2 A:ASP22 4.0 15.8 1.0 ND2 A:ASN24 4.1 19.4 1.0 CB A:ASP22 4.2 15.7 1.0 N A:ILE28 4.2 15.8 1.0 N A:THR23 4.2 18.7 1.0 CA A:ASP22 4.2 15.9 1.0 CA A:ILE28 4.3 16.5 1.0 N A:ASN24 4.3 19.7 1.0 O A:GLY29 4.3 16.2 1.0 C A:GLY29 4.3 15.8 1.0 O A:GLU75 4.4 18.8 1.0 CB A:ASP26 4.5 21.8 1.0 N A:ASP26 4.5 19.6 1.0 CB A:ILE28 4.5 16.5 1.0 N A:GLY29 4.6 16.8 1.0 N A:ASP30 4.6 15.3 1.0 OD1 A:ASP30 4.6 16.5 1.0 CA A:GLY29 4.7 16.4 1.0 CB A:ASN24 4.7 20.1 1.0 C A:ASP22 4.8 16.9 1.0 CA A:ASP30 4.9 14.4 1.0 CA A:ASN24 4.9 20.3 1.0 CA A:ASP26 4.9 19.8 1.0 N A:GLY27 5.0 19.0 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of the Mutb F164L Mutant in Complex with Glucose


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 in Complex with Glucose within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca601 b:19.3 occ:1.00 O B:HOH1087 2.0 43.2 1.0 OD1 B:ASP22 2.2 16.9 1.0 OD1 B:ASN24 2.4 19.5 1.0 O B:ILE28 2.4 12.7 1.0 OD2 B:ASP30 2.5 14.9 1.0 OD1 B:ASP26 2.5 17.2 1.0 CG B:ASP26 3.3 18.2 1.0 CG B:ASP22 3.3 18.3 1.0 CG B:ASN24 3.4 20.4 1.0 CG B:ASP30 3.4 15.1 1.0 OD2 B:ASP26 3.6 20.3 1.0 C B:ILE28 3.6 13.5 1.0 CB B:ASP30 3.8 14.8 1.0 OD2 B:ASP22 4.1 20.4 1.0 ND2 B:ASN24 4.1 20.3 1.0 N B:ASN24 4.1 19.1 1.0 N B:THR23 4.2 20.1 1.0 CB B:ASP22 4.3 18.4 1.0 CA B:ASP22 4.3 18.4 1.0 N B:ILE28 4.3 14.3 1.0 CA B:ILE28 4.4 13.8 1.0 C B:GLY29 4.4 12.6 1.0 O B:GLY29 4.5 12.0 1.0 O B:GLU75 4.5 16.5 1.0 N B:ASP26 4.5 18.5 1.0 CB B:ASN24 4.5 18.5 1.0 CB B:ASP26 4.6 17.4 1.0 OD1 B:ASP30 4.6 16.4 1.0 N B:GLY29 4.6 12.6 1.0 CB B:ILE28 4.7 14.5 1.0 C B:ASP22 4.7 19.5 1.0 CA B:ASN24 4.7 18.8 1.0 N B:ASP30 4.7 13.9 1.0 CA B:GLY29 4.7 12.2 1.0 CA B:ASP30 4.9 14.3 1.0 C B:ASN24 5.0 17.9 1.0 O B:HOH1141 5.0 38.5 1.0 CA B:ASP26 5.0 17.1 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