Calcium in PDB 5cgt: Maltotriose Complex of Preconditioned Cyclodextrin Glycosyltransferase Mutant

All present enzymatic activity of Maltotriose Complex of Preconditioned Cyclodextrin Glycosyltransferase Mutant:
2.4.1.19;

The structure of Maltotriose Complex of Preconditioned Cyclodextrin Glycosyltransferase Mutant, PDB code: 5cgt was solved by G.Parsiegla, G.E.Schulz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	93.500, 104.900, 113.800, 90.00, 90.00, 90.00
R / Rfree (%)	17.7 / 24.7

The binding sites of Calcium atom in the Maltotriose Complex of Preconditioned Cyclodextrin Glycosyltransferase Mutant (pdb code 5cgt). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Maltotriose Complex of Preconditioned Cyclodextrin Glycosyltransferase Mutant, PDB code: 5cgt:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Maltotriose Complex of Preconditioned Cyclodextrin Glycosyltransferase Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Maltotriose Complex of Preconditioned Cyclodextrin Glycosyltransferase Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca685 b:15.6 occ:1.00 O A:HIS233 2.5 9.9 1.0 OD1 A:ASN139 2.5 7.3 1.0 OD2 A:ASP199 2.5 12.9 1.0 O A:HOH719 2.6 18.8 1.0 O A:ILE190 2.7 7.6 1.0 OD1 A:ASP199 2.9 17.4 1.0 CG A:ASP199 3.1 14.1 1.0 CG A:ASN139 3.6 7.2 1.0 C A:HIS233 3.7 6.1 1.0 C A:ILE190 3.8 5.6 1.0 ND2 A:ASN139 4.2 5.6 1.0 CA A:ILE190 4.3 5.4 1.0 CB A:HIS233 4.3 6.2 1.0 O A:ASN139 4.4 12.1 1.0 O A:LYS192 4.4 13.7 1.0 CA A:MET234 4.5 6.4 1.0 N A:MET234 4.5 4.0 1.0 O A:GLY189 4.5 7.1 1.0 CB A:ASP199 4.6 12.1 1.0 CA A:HIS233 4.6 6.4 1.0 CG A:MET234 4.6 2.0 1.0 O A:HOH854 4.7 9.9 1.0 ND1 A:HIS176 4.7 7.3 1.0 O A:PHE200 4.8 10.1 1.0 N A:TYR191 4.8 7.2 1.0 CG2 A:ILE190 4.8 3.6 1.0 CB A:ASN139 4.9 8.5 1.0

Calcium binding site 2 out of 2 in the Maltotriose Complex of Preconditioned Cyclodextrin Glycosyltransferase Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Maltotriose Complex of Preconditioned Cyclodextrin Glycosyltransferase Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca686 b:16.2 occ:1.00 OD1 A:ASN32 2.3 12.7 1.0 OD1 A:ASN33 2.3 13.8 1.0 O A:GLY51 2.4 18.4 1.0 OD2 A:ASP53 2.6 12.5 1.0 O A:ASN29 2.7 20.8 1.0 OD1 A:ASP27 2.8 9.7 1.0 C A:GLY51 3.3 15.4 1.0 CG A:ASN32 3.3 16.1 1.0 CG A:ASP53 3.5 13.9 1.0 CG A:ASN33 3.6 11.6 1.0 CA A:GLY51 3.6 13.4 1.0 CG A:ASP27 3.7 13.5 1.0 O A:TYR111 3.7 11.0 1.0 ND2 A:ASN32 3.8 15.0 1.0 CB A:ASP53 3.8 11.9 1.0 O A:HOH825 3.8 17.0 1.0 C A:ASN29 4.0 20.3 1.0 N A:ASN33 4.1 12.6 1.0 OD2 A:ASP27 4.2 12.8 1.0 CA A:ASN33 4.3 13.0 1.0 C A:ASN32 4.3 14.0 1.0 O A:GLY52 4.4 13.7 1.0 ND2 A:ASN33 4.4 8.5 1.0 C A:GLY52 4.4 11.9 1.0 N A:GLY52 4.5 13.6 1.0 CB A:ASN33 4.5 10.3 1.0 N A:ASP53 4.6 12.3 1.0 CB A:ASN32 4.6 15.8 1.0 OD1 A:ASP53 4.6 14.5 1.0 CB A:ASP27 4.6 13.8 1.0 O A:ASN32 4.7 14.7 1.0 CA A:PRO30 4.7 18.2 1.0 N A:PRO30 4.8 19.2 1.0 CA A:ASP53 4.8 10.6 1.0 CA A:ASP27 4.8 15.7 1.0 CA A:GLY52 4.9 12.1 1.0 C A:TYR111 4.9 12.8 1.0 CA A:ASN32 4.9 15.8 1.0 CA A:ASN29 5.0 19.3 1.0 N A:ASN29 5.0 19.3 1.0

G.Parsiegla, A.K.Schmidt, G.E.Schulz. Substrate Binding to A Cyclodextrin Glycosyltransferase and Mutations Increasing the Gamma-Cyclodextrin Production. Eur.J.Biochem. V. 255 710 1998.
ISSN: ISSN 0014-2956
PubMed: 9738912
DOI: 10.1046/J.1432-1327.1998.2550710.X