Calcium in PDB 6cgt: Hoxa Complex of Cyclodextrin Glycosyltransferase Mutant

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

The structure of Hoxa Complex of Cyclodextrin Glycosyltransferase Mutant, PDB code: 6cgt 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)	27.00 / 2.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	93.000, 104.900, 113.700, 90.00, 90.00, 90.00
R / Rfree (%)	16.7 / 24.6

The binding sites of Calcium atom in the Hoxa Complex of Cyclodextrin Glycosyltransferase Mutant (pdb code 6cgt). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Hoxa Complex of Cyclodextrin Glycosyltransferase Mutant, PDB code: 6cgt:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Hoxa Complex of 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 Hoxa Complex of Cyclodextrin Glycosyltransferase Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca685 b:12.5 occ:1.00 O A:HIS233 2.4 12.8 1.0 OD1 A:ASN139 2.4 15.6 1.0 OD1 A:ASP199 2.5 15.5 1.0 O A:ILE190 2.6 12.4 1.0 OD2 A:ASP199 2.6 12.6 1.0 CG A:ASP199 2.9 14.1 1.0 CG A:ASN139 3.6 14.4 1.0 C A:HIS233 3.6 9.9 1.0 C A:ILE190 3.6 10.7 1.0 CA A:ILE190 4.1 8.4 1.0 ND2 A:ASN139 4.2 8.8 1.0 CB A:HIS233 4.2 9.2 1.0 O A:HOH831 4.3 16.5 1.0 O A:HOH740 4.3 21.4 1.0 CG A:MET234 4.4 10.1 1.0 CA A:MET234 4.4 9.2 1.0 O A:ASN139 4.4 16.8 1.0 N A:MET234 4.4 8.9 1.0 CG2 A:ILE190 4.4 7.8 1.0 CB A:ASP199 4.5 14.7 1.0 CA A:HIS233 4.5 9.6 1.0 O A:GLY189 4.6 15.4 1.0 O A:PHE200 4.6 18.9 1.0 O A:LYS192 4.7 16.8 1.0 CE1 A:HIS176 4.7 18.7 1.0 N A:TYR191 4.7 11.0 1.0 ND1 A:HIS176 4.7 18.9 1.0 CB A:ASN139 4.8 14.4 1.0 CB A:ILE190 5.0 6.5 1.0 CB A:MET234 5.0 9.8 1.0

Calcium binding site 2 out of 2 in the Hoxa Complex of 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 Hoxa Complex of Cyclodextrin Glycosyltransferase Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca686 b:18.6 occ:1.00 OD1 A:ASN33 2.4 18.0 1.0 OD1 A:ASN32 2.5 17.6 1.0 OD2 A:ASP53 2.6 13.3 1.0 O A:ASN29 2.7 19.0 1.0 OD1 A:ASP27 2.8 13.2 1.0 O A:GLY51 2.9 19.7 1.0 CG A:ASN33 3.2 15.7 1.0 C A:GLY51 3.4 18.0 1.0 CG A:ASN32 3.6 15.9 1.0 CG A:ASP53 3.6 15.2 1.0 CG A:ASP27 3.6 19.2 1.0 ND2 A:ASN33 3.6 11.0 1.0 CA A:GLY51 3.7 19.6 1.0 C A:ASN29 3.8 19.6 1.0 CB A:ASP53 3.9 14.1 1.0 ND2 A:ASN32 4.0 16.6 1.0 N A:ASN33 4.2 15.4 1.0 OD2 A:ASP27 4.2 20.7 1.0 N A:GLY52 4.2 15.0 1.0 CB A:ASN33 4.3 14.8 1.0 CA A:ASP27 4.4 19.0 1.0 CA A:ASN33 4.4 15.4 1.0 O A:TYR111 4.4 23.0 1.0 N A:ASP53 4.4 12.8 1.0 CB A:ASP27 4.5 19.2 1.0 C A:GLY52 4.5 13.6 1.0 CA A:PRO30 4.5 17.4 1.0 N A:PRO30 4.5 19.1 1.0 N A:ASN29 4.5 22.2 1.0 C A:ASN32 4.7 18.0 1.0 OD1 A:ASP53 4.7 18.4 1.0 CA A:ASP53 4.7 14.5 1.0 CA A:ASN29 4.8 20.4 1.0 CA A:GLY52 4.8 14.2 1.0 CB A:ASN32 4.8 16.0 1.0 N A:GLY28 4.8 19.0 1.0 O A:GLY52 4.9 13.7 1.0 C A:ASP27 4.9 18.0 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