Calcium in PDB 2pwe: Crystal Structure of the Mutb E254Q Mutant in Complex with the Substrate Sucrose

All present enzymatic activity of Crystal Structure of the Mutb E254Q Mutant in Complex with the Substrate Sucrose:
5.4.99.11;

The structure of Crystal Structure of the Mutb E254Q Mutant in Complex with the Substrate Sucrose, PDB code: 2pwe was solved by S.Ravaud, X.Robert, R.Haser, N.Aghajari, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.00
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	64.310, 73.730, 82.750, 66.18, 74.51, 72.55
R / Rfree (%)	19 / 23.5

The binding sites of Calcium atom in the Crystal Structure of the Mutb E254Q Mutant in Complex with the Substrate Sucrose (pdb code 2pwe). 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 E254Q Mutant in Complex with the Substrate Sucrose, PDB code: 2pwe:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of the Mutb E254Q Mutant in Complex with the Substrate Sucrose


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 E254Q Mutant in Complex with the Substrate Sucrose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca7001 b:23.6 occ:1.00 OD2 A:ASP30 2.3 22.8 1.0 O A:HOH4531 2.3 28.8 1.0 OD1 A:ASP22 2.3 20.9 1.0 OD1 A:ASN24 2.4 27.5 1.0 O A:ILE28 2.4 17.1 1.0 O A:HOH4715 2.4 29.8 1.0 OD1 A:ASP26 2.5 21.7 1.0 CG A:ASP26 3.2 23.1 1.0 CG A:ASN24 3.4 25.0 1.0 CG A:ASP22 3.4 20.8 1.0 CG A:ASP30 3.4 21.1 1.0 OD2 A:ASP26 3.4 26.4 1.0 C A:ILE28 3.6 18.5 1.0 CB A:ASP30 3.9 19.8 1.0 ND2 A:ASN24 4.0 24.5 1.0 OD2 A:ASP22 4.1 21.6 1.0 N A:ASN24 4.2 21.4 1.0 N A:THR23 4.2 21.5 1.0 CB A:ASP22 4.2 20.4 1.0 N A:ILE28 4.2 18.7 1.0 CA A:ASP22 4.3 20.0 1.0 O A:GLU75 4.3 20.7 1.0 C A:GLY29 4.4 13.3 1.0 CA A:ILE28 4.4 18.6 1.0 CB A:ASN24 4.4 23.0 1.0 OD1 A:ASP30 4.4 23.6 1.0 N A:ASP26 4.5 21.7 1.0 O A:GLY29 4.5 12.9 1.0 N A:ASP30 4.6 16.2 1.0 CB A:ASP26 4.6 22.0 1.0 CB A:ILE28 4.6 18.9 1.0 N A:GLY29 4.6 15.5 1.0 CA A:GLY29 4.7 13.0 1.0 CA A:ASN24 4.7 22.6 1.0 O A:HOH9036 4.8 34.4 1.0 C A:ASP22 4.8 21.4 1.0 CA A:ASP30 4.8 16.5 1.0 C A:ASN24 4.9 23.6 1.0 N A:GLY25 4.9 22.8 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of the Mutb E254Q Mutant in Complex with the Substrate Sucrose


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 E254Q Mutant in Complex with the Substrate Sucrose within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca7000 b:23.9 occ:1.00 OD2 B:ASP30 2.3 19.8 1.0 O B:HOH4405 2.4 23.5 1.0 O B:ILE28 2.4 18.8 1.0 OD1 B:ASN24 2.4 27.3 1.0 OD1 B:ASP22 2.5 21.1 1.0 OD1 B:ASP26 2.6 21.1 1.0 O B:HOH4097 2.6 23.9 1.0 CG B:ASP26 3.3 24.0 1.0 CG B:ASP30 3.4 18.8 1.0 CG B:ASP22 3.4 23.4 1.0 OD2 B:ASP26 3.5 25.6 1.0 CG B:ASN24 3.5 26.1 1.0 C B:ILE28 3.6 20.0 1.0 CB B:ASP30 3.8 18.2 1.0 N B:ASN24 4.2 21.2 1.0 N B:THR23 4.2 21.4 1.0 OD2 B:ASP22 4.2 22.8 1.0 ND2 B:ASN24 4.2 24.9 1.0 CB B:ASP22 4.2 22.7 1.0 N B:ILE28 4.2 19.8 1.0 O B:GLU75 4.3 18.6 1.0 CA B:ASP22 4.3 21.6 1.0 C B:GLY29 4.3 16.4 1.0 CA B:ILE28 4.3 19.7 1.0 O B:GLY29 4.4 17.8 1.0 CB B:ILE28 4.5 18.9 1.0 OD1 B:ASP30 4.5 19.8 1.0 CB B:ASP26 4.5 22.7 1.0 N B:ASP30 4.5 17.3 1.0 CB B:ASN24 4.6 22.4 1.0 N B:GLY29 4.6 18.5 1.0 N B:ASP26 4.6 22.4 1.0 CA B:GLY29 4.7 16.6 1.0 C B:ASP22 4.7 22.6 1.0 CA B:ASN24 4.8 21.8 1.0 CA B:ASP30 4.8 17.5 1.0 C B:ASN24 4.9 22.1 1.0 O B:HOH5044 5.0 41.5 1.0 N B:GLY25 5.0 23.1 1.0

S.Ravaud, X.Robert, H.Watzlawick, R.Haser, R.Mattes, N.Aghajari. Trehalulose Synthase Native and Carbohydrate Complexed Structures Provide Insights Into Sucrose Isomerization. J.Biol.Chem. V. 282 28126 2007.
ISSN: ISSN 0021-9258
PubMed: 17597061
DOI: 10.1074/JBC.M704515200