Calcium in PDB 4h7v: Mutb Inactive Double Mutant D200A-D415N in Complex with Glucose

All present enzymatic activity of Mutb Inactive Double Mutant D200A-D415N in Complex with Glucose:
5.4.11.99;

The structure of Mutb Inactive Double Mutant D200A-D415N in Complex with Glucose, PDB code: 4h7v 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)	42.20 / 1.80
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	63.700, 71.200, 85.400, 118.10, 90.20, 109.70
R / Rfree (%)	17.1 / 22.1

The binding sites of Calcium atom in the Mutb Inactive Double Mutant D200A-D415N in Complex with Glucose (pdb code 4h7v). 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 D200A-D415N in Complex with Glucose, PDB code: 4h7v:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Mutb Inactive Double Mutant D200A-D415N 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 Mutb Inactive Double Mutant D200A-D415N in Complex with Glucose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca601 b:15.7 occ:1.00 OD1 A:ASP22 2.3 14.2 1.0 OD1 A:ASP26 2.3 12.5 1.0 OD1 A:ASN24 2.3 20.2 1.0 OD2 A:ASP30 2.4 16.1 1.0 O A:HOH756 2.4 14.9 1.0 O A:ILE28 2.4 15.8 1.0 O A:HOH733 2.4 20.3 1.0 CG A:ASP26 3.2 21.0 1.0 CG A:ASP22 3.2 14.6 1.0 CG A:ASN24 3.4 21.8 1.0 CG A:ASP30 3.4 17.5 1.0 OD2 A:ASP26 3.5 22.7 1.0 C A:ILE28 3.6 13.2 1.0 CB A:ASP30 3.9 14.2 1.0 OD2 A:ASP22 4.0 17.7 1.0 ND2 A:ASN24 4.1 18.2 1.0 CB A:ASP22 4.1 15.3 1.0 N A:ASN24 4.1 17.7 1.0 N A:ILE28 4.2 12.0 1.0 N A:THR23 4.3 13.3 1.0 CA A:ILE28 4.3 13.3 1.0 CA A:ASP22 4.3 14.3 1.0 C A:GLY29 4.4 10.5 1.0 O A:GLU75 4.4 14.8 1.0 O A:GLY29 4.5 13.1 1.0 CB A:ASP26 4.5 15.4 1.0 CB A:ILE28 4.5 14.8 1.0 N A:ASP26 4.5 13.6 1.0 CB A:ASN24 4.5 16.8 1.0 OD1 A:ASP30 4.5 15.1 1.0 N A:GLY29 4.6 10.8 1.0 CA A:ASN24 4.7 24.1 1.0 N A:ASP30 4.7 11.1 1.0 CA A:GLY29 4.7 8.5 1.0 C A:ASP22 4.8 16.2 1.0 C A:ASN24 4.9 17.8 1.0 CA A:ASP26 4.9 16.5 1.0 N A:GLY27 4.9 16.2 1.0 CA A:ASP30 5.0 12.8 1.0 N A:GLY25 5.0 18.7 1.0

Calcium binding site 2 out of 2 in the Mutb Inactive Double Mutant D200A-D415N 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 Mutb Inactive Double Mutant D200A-D415N in Complex with Glucose within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca7001 b:14.7 occ:1.00 OD2 B:ASP30 2.2 13.0 1.0 OD1 B:ASP22 2.3 22.9 1.0 O B:HOH7234 2.3 19.3 1.0 OD1 B:ASP26 2.3 11.6 1.0 OD1 B:ASN24 2.4 19.1 1.0 O B:ILE28 2.4 14.1 1.0 O B:HOH7224 2.5 21.1 1.0 CG B:ASP26 3.2 15.2 1.0 CG B:ASP22 3.3 15.4 1.0 CG B:ASP30 3.3 15.4 1.0 CG B:ASN24 3.5 20.0 1.0 OD2 B:ASP26 3.5 23.2 1.0 C B:ILE28 3.6 17.2 1.0 CB B:ASP30 3.9 14.8 1.0 OD2 B:ASP22 4.0 14.8 1.0 N B:THR23 4.1 16.9 1.0 N B:ASN24 4.2 17.1 1.0 ND2 B:ASN24 4.2 25.2 1.0 CB B:ASP22 4.2 12.6 1.0 CA B:ASP22 4.2 13.0 1.0 N B:ILE28 4.3 16.1 1.0 O B:GLU75 4.3 17.2 1.0 CA B:ILE28 4.4 13.7 1.0 C B:GLY29 4.4 10.1 1.0 OD1 B:ASP30 4.4 15.4 1.0 CB B:ILE28 4.5 16.8 1.0 O B:GLY29 4.5 10.4 1.0 CB B:ASN24 4.5 16.8 1.0 N B:GLY29 4.5 13.6 1.0 CB B:ASP26 4.6 16.7 1.0 N B:ASP26 4.6 15.0 1.0 N B:ASP30 4.6 14.0 1.0 CA B:GLY29 4.6 13.7 1.0 C B:ASP22 4.7 15.5 1.0 CA B:ASN24 4.7 24.0 1.0 CA B:ASP30 4.9 13.7 1.0 O B:HOH7407 4.9 24.1 1.0 C B:ASN24 4.9 18.4 1.0 CA B:ASP26 5.0 21.2 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.