Calcium in PDB 4ha1: Mutb Inactive Double Mutant D200A-D415N in Complex with Isomaltulose

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

The structure of Mutb Inactive Double Mutant D200A-D415N in Complex with Isomaltulose, PDB code: 4ha1 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)	43.36 / 2.20
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	64.600, 73.350, 82.640, 66.55, 73.86, 71.86
R / Rfree (%)	19.2 / 25.1

The binding sites of Calcium atom in the Mutb Inactive Double Mutant D200A-D415N in Complex with Isomaltulose (pdb code 4ha1). 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 Isomaltulose, PDB code: 4ha1:
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 Isomaltulose


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 Isomaltulose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca601 b:15.6 occ:1.00 O A:ILE28 2.3 13.3 1.0 OD1 A:ASN24 2.4 20.3 1.0 OD1 A:ASP26 2.4 21.7 1.0 OD1 A:ASP22 2.4 14.8 1.0 O A:HOH1235 2.5 20.0 1.0 O A:HOH1020 2.5 25.3 1.0 OD2 A:ASP30 2.5 17.0 1.0 CG A:ASP26 3.0 17.1 1.0 OD2 A:ASP26 3.1 24.0 1.0 CG A:ASN24 3.4 20.1 1.0 CG A:ASP22 3.4 14.7 1.0 C A:ILE28 3.5 11.7 1.0 CG A:ASP30 3.5 13.0 1.0 CB A:ASP30 3.9 15.0 1.0 ND2 A:ASN24 3.9 27.2 1.0 OD2 A:ASP22 4.1 19.1 1.0 CA A:ILE28 4.2 12.9 1.0 N A:ILE28 4.2 12.8 1.0 CB A:ASP22 4.3 16.4 1.0 N A:ASN24 4.3 18.6 1.0 N A:THR23 4.3 18.6 1.0 CB A:ILE28 4.3 12.9 1.0 CB A:ASP26 4.3 24.4 1.0 CA A:ASP22 4.4 13.7 1.0 C A:GLY29 4.4 12.1 1.0 O A:GLU75 4.4 19.5 1.0 O A:GLY29 4.5 10.9 1.0 N A:GLY29 4.5 11.2 1.0 N A:ASP30 4.6 8.0 1.0 CB A:ASN24 4.6 20.3 1.0 N A:ASP26 4.6 17.9 1.0 OD1 A:ASP30 4.7 13.6 1.0 CA A:GLY29 4.7 6.0 1.0 CA A:ASN24 4.8 24.3 1.0 CA A:ASP30 4.8 15.5 1.0 C A:ASP22 4.9 18.5 1.0 CG2 A:ILE28 4.9 7.9 1.0 CA A:ASP26 5.0 22.0 1.0

Calcium binding site 2 out of 2 in the Mutb Inactive Double Mutant D200A-D415N in Complex with Isomaltulose


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 Isomaltulose within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca7001 b:18.8 occ:1.00 O B:ILE28 2.3 11.0 1.0 OD1 B:ASN24 2.4 22.7 1.0 OD1 B:ASP22 2.4 13.8 1.0 O B:HOH7525 2.4 21.8 1.0 OD2 B:ASP30 2.5 18.6 1.0 O B:HOH7430 2.5 17.1 1.0 OD1 B:ASP26 2.5 20.9 1.0 OD2 B:ASP26 3.0 37.3 1.0 CG B:ASP26 3.1 17.7 1.0 CG B:ASP22 3.3 16.3 1.0 CG B:ASN24 3.5 20.5 1.0 C B:ILE28 3.5 10.7 1.0 CG B:ASP30 3.6 18.3 1.0 OD2 B:ASP22 3.9 14.3 1.0 CB B:ASP30 4.0 18.1 1.0 ND2 B:ASN24 4.2 23.1 1.0 CB B:ASP22 4.2 13.7 1.0 N B:THR23 4.2 16.6 1.0 N B:ASN24 4.2 18.1 1.0 N B:ILE28 4.2 14.8 1.0 CA B:ILE28 4.3 11.1 1.0 CA B:ASP22 4.3 10.0 1.0 C B:GLY29 4.4 11.6 1.0 O B:GLU75 4.4 21.1 1.0 CB B:ILE28 4.4 15.4 1.0 CB B:ASP26 4.5 21.6 1.0 O B:GLY29 4.5 9.9 1.0 N B:GLY29 4.5 9.2 1.0 N B:ASP26 4.5 11.7 1.0 CB B:ASN24 4.6 19.4 1.0 N B:ASP30 4.7 9.2 1.0 CA B:GLY29 4.7 12.3 1.0 OD1 B:ASP30 4.7 16.1 1.0 C B:ASP22 4.8 13.9 1.0 CA B:ASN24 4.8 23.9 1.0 N B:GLY25 4.9 14.2 1.0 C B:ASN24 4.9 16.6 1.0 CA B:ASP26 5.0 14.8 1.0 CA B:ASP30 5.0 17.5 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.