Calcium in PDB 4h8h: Mutb Inactive Double Mutant E254Q-D415N

All present enzymatic activity of Mutb Inactive Double Mutant E254Q-D415N:
5.4.11.99;

The structure of Mutb Inactive Double Mutant E254Q-D415N, PDB code: 4h8h 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)	44.90 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	62.930, 84.410, 118.970, 90.00, 95.94, 90.00
R / Rfree (%)	18.1 / 22.8

The binding sites of Calcium atom in the Mutb Inactive Double Mutant E254Q-D415N (pdb code 4h8h). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Mutb Inactive Double Mutant E254Q-D415N, PDB code: 4h8h:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Mutb Inactive Double Mutant E254Q-D415N


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Mutb Inactive Double Mutant E254Q-D415N within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca602 b:12.9 occ:1.00 O A:HOH889 2.2 17.8 1.0 OD1 A:ASN24 2.3 15.8 1.0 O A:ILE28 2.4 12.1 1.0 OD1 A:ASP26 2.4 14.4 1.0 OD1 A:ASP22 2.4 13.4 1.0 OD2 A:ASP30 2.4 9.9 1.0 O A:HOH853 2.8 17.5 1.0 CG A:ASP26 3.3 16.8 1.0 CG A:ASP22 3.4 15.0 1.0 CG A:ASN24 3.4 17.4 1.0 CG A:ASP30 3.5 12.6 1.0 C A:ILE28 3.6 12.3 1.0 OD2 A:ASP26 3.6 11.4 1.0 CB A:ASP30 3.8 11.7 1.0 ND2 A:ASN24 4.0 14.0 1.0 OD2 A:ASP22 4.1 12.1 1.0 CB A:ASP22 4.2 11.9 1.0 N A:ASN24 4.2 12.9 1.0 N A:ILE28 4.2 10.9 1.0 N A:THR23 4.3 10.3 1.0 O A:GLU75 4.3 12.9 1.0 CA A:ASP22 4.3 10.5 1.0 CA A:ILE28 4.3 12.0 1.0 C A:GLY29 4.4 9.2 1.0 N A:ASP30 4.5 12.7 1.0 CB A:ASN24 4.5 11.6 1.0 O A:HOH984 4.5 19.6 1.0 CB A:ASP26 4.6 15.8 1.0 O A:GLY29 4.6 11.9 1.0 N A:GLY29 4.6 10.0 1.0 N A:ASP26 4.6 16.6 1.0 OD1 A:ASP30 4.6 9.4 1.0 CB A:ILE28 4.6 14.5 1.0 CA A:GLY29 4.7 8.0 1.0 CA A:ASN24 4.8 11.8 1.0 C A:ASP22 4.8 15.9 1.0 CA A:ASP30 4.8 9.7 1.0 O A:HOH962 4.8 21.0 1.0 N A:GLY25 4.9 13.4 1.0 N A:GLY27 5.0 11.3 1.0 C A:ASN24 5.0 13.8 1.0

Calcium binding site 2 out of 2 in the Mutb Inactive Double Mutant E254Q-D415N


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Mutb Inactive Double Mutant E254Q-D415N within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca603 b:18.7 occ:1.00 OD2 B:ASP30 2.3 15.1 1.0 O B:HOH738 2.3 19.1 1.0 OD1 B:ASN24 2.4 19.4 1.0 O B:ILE28 2.4 17.9 1.0 O B:HOH782 2.4 17.1 1.0 OD1 B:ASP22 2.5 17.1 1.0 OD1 B:ASP26 2.5 21.4 1.0 CG B:ASP26 3.2 18.6 1.0 CG B:ASP30 3.4 19.9 1.0 CG B:ASN24 3.4 24.7 1.0 CG B:ASP22 3.4 20.9 1.0 OD2 B:ASP26 3.5 23.9 1.0 C B:ILE28 3.6 13.6 1.0 CB B:ASP30 3.8 14.7 1.0 ND2 B:ASN24 4.0 18.4 1.0 OD2 B:ASP22 4.2 20.2 1.0 CB B:ASP22 4.2 12.2 1.0 O B:GLU75 4.3 16.3 1.0 N B:ILE28 4.3 16.7 1.0 N B:ASN24 4.3 16.4 1.0 N B:THR23 4.3 20.0 1.0 CA B:ASP22 4.3 13.9 1.0 C B:GLY29 4.3 18.0 1.0 CA B:ILE28 4.3 11.9 1.0 O B:GLY29 4.4 14.5 1.0 CB B:ASP26 4.5 23.4 1.0 OD1 B:ASP30 4.5 16.8 1.0 CB B:ILE28 4.5 11.9 1.0 N B:GLY29 4.6 12.8 1.0 N B:ASP30 4.6 16.6 1.0 CB B:ASN24 4.6 21.6 1.0 N B:ASP26 4.6 22.0 1.0 CA B:GLY29 4.7 14.1 1.0 CA B:ASP30 4.8 14.2 1.0 C B:ASP22 4.8 21.6 1.0 CA B:ASN24 4.8 24.0 1.0 CA B:ASP26 5.0 22.4 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.