Calcium in PDB 9cgt: Structure of Cyclodextrin Glycosyltransferase Complexed with A Thio- Maltopentaose

All present enzymatic activity of Structure of Cyclodextrin Glycosyltransferase Complexed with A Thio- Maltopentaose:
2.4.1.19;

The structure of Structure of Cyclodextrin Glycosyltransferase Complexed with A Thio- Maltopentaose, PDB code: 9cgt was solved by A.K.Schmidt, G.E.Schulz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	94.600, 104.700, 113.600, 90.00, 90.00, 90.00
R / Rfree (%)	14.7 / 18.2

The binding sites of Calcium atom in the Structure of Cyclodextrin Glycosyltransferase Complexed with A Thio- Maltopentaose (pdb code 9cgt). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Structure of Cyclodextrin Glycosyltransferase Complexed with A Thio- Maltopentaose, PDB code: 9cgt:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Structure of Cyclodextrin Glycosyltransferase Complexed with A Thio- Maltopentaose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of Cyclodextrin Glycosyltransferase Complexed with A Thio- Maltopentaose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca685 b:21.9 occ:1.00 OD1 A:ASP199 2.4 21.3 1.0 O A:HIS233 2.4 17.9 1.0 OD1 A:ASN139 2.4 14.5 1.0 O A:HOH703 2.5 16.6 1.0 OD2 A:ASP199 2.6 22.3 1.0 O A:ILE190 2.6 17.8 1.0 CG A:ASP199 2.8 19.8 1.0 CG A:ASN139 3.5 13.5 1.0 C A:HIS233 3.6 16.4 1.0 C A:ILE190 3.7 15.7 1.0 ND2 A:ASN139 4.0 8.8 1.0 CA A:ILE190 4.2 15.2 1.0 CB A:ASP199 4.3 17.6 1.0 CB A:HIS233 4.3 15.6 1.0 O A:LYS192 4.5 22.3 1.0 O A:ASN139 4.5 13.9 1.0 N A:MET234 4.5 15.7 1.0 O A:GLY189 4.5 19.2 1.0 CG A:MET234 4.5 14.4 1.0 CA A:HIS233 4.5 15.5 1.0 CA A:MET234 4.5 14.6 1.0 N A:TYR191 4.7 17.1 1.0 O A:HOH826 4.8 19.8 1.0 O A:PHE200 4.8 19.7 1.0 CB A:ASN139 4.8 12.4 1.0 ND1 A:HIS176 4.9 16.1 1.0 CG2 A:ILE190 4.9 12.0 1.0 O A:HOH733 5.0 14.0 1.0

Calcium binding site 2 out of 2 in the Structure of Cyclodextrin Glycosyltransferase Complexed with A Thio- Maltopentaose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of Cyclodextrin Glycosyltransferase Complexed with A Thio- Maltopentaose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca686 b:26.4 occ:1.00 OD1 A:ASN33 2.2 26.5 1.0 OD1 A:ASN32 2.3 33.6 1.0 OD2 A:ASP53 2.4 21.7 1.0 OD1 A:ASP27 2.4 23.5 1.0 O A:GLY51 2.4 29.0 1.0 O A:ASN29 2.5 33.8 1.0 CG A:ASN33 3.4 27.0 1.0 CG A:ASP27 3.4 23.6 1.0 CG A:ASP53 3.4 21.9 1.0 CG A:ASN32 3.4 33.0 1.0 C A:GLY51 3.6 25.8 1.0 C A:ASN29 3.6 32.9 1.0 CB A:ASP53 3.9 20.8 1.0 OD2 A:ASP27 4.0 21.9 1.0 N A:ASN33 4.0 31.2 1.0 ND2 A:ASN32 4.0 30.2 1.0 CA A:GLY51 4.1 25.9 1.0 O A:TYR111 4.1 26.4 1.0 ND2 A:ASN33 4.2 25.5 1.0 CA A:ASN33 4.2 30.8 1.0 CA A:PRO30 4.3 33.1 1.0 C A:ASN32 4.3 33.3 1.0 N A:PRO30 4.3 33.1 1.0 CB A:ASN33 4.4 26.9 1.0 CB A:ASP27 4.5 24.6 1.0 N A:ASN29 4.5 32.1 1.0 OD1 A:ASP53 4.5 23.2 1.0 CA A:ASN29 4.5 32.4 1.0 C A:GLY52 4.6 23.0 1.0 CA A:ASP27 4.6 25.9 1.0 CB A:ASN32 4.7 32.4 1.0 N A:GLY52 4.7 25.2 1.0 N A:ASP53 4.7 21.2 1.0 O A:GLY52 4.7 24.2 1.0 N A:ASN32 4.7 35.4 1.0 O A:ASN32 4.8 34.8 1.0 C A:PRO30 4.8 33.3 1.0 CA A:ASN32 4.8 33.5 1.0 O A:HOH805 4.9 23.3 1.0 CB A:ASN29 4.9 33.4 1.0 CA A:ASP53 4.9 20.4 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