Calcium in PDB 8cgt: Structure of Cyclodextrin Glycosyltransferase Complexed with A Thio- Maltohexaose

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

The structure of Structure of Cyclodextrin Glycosyltransferase Complexed with A Thio- Maltohexaose, PDB code: 8cgt 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 / 2.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	94.400, 104.900, 113.700, 90.00, 90.00, 90.00
R / Rfree (%)	15.7 / 17.8

The binding sites of Calcium atom in the Structure of Cyclodextrin Glycosyltransferase Complexed with A Thio- Maltohexaose (pdb code 8cgt). 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- Maltohexaose, PDB code: 8cgt:
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- Maltohexaose


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- Maltohexaose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca685 b:22.2 occ:1.00 O A:HIS233 2.3 17.7 1.0 OD1 A:ASN139 2.4 14.5 1.0 OD1 A:ASP199 2.4 21.8 1.0 OD2 A:ASP199 2.4 21.7 1.0 O A:ILE190 2.6 19.5 1.0 O A:HOH703 2.6 12.7 1.0 CG A:ASP199 2.8 18.6 1.0 CG A:ASN139 3.5 14.8 1.0 C A:HIS233 3.5 16.8 1.0 C A:ILE190 3.6 17.0 1.0 ND2 A:ASN139 4.1 12.0 1.0 CA A:ILE190 4.2 15.6 1.0 CB A:ASP199 4.3 17.0 1.0 CB A:HIS233 4.3 16.2 1.0 O A:LYS192 4.4 22.2 1.0 CA A:HIS233 4.5 17.3 1.0 N A:MET234 4.5 16.4 1.0 O A:GLY189 4.5 21.8 1.0 O A:ASN139 4.5 15.8 1.0 CA A:MET234 4.5 15.4 1.0 CG A:MET234 4.6 14.6 1.0 N A:TYR191 4.7 18.5 1.0 O A:HOH827 4.8 22.6 1.0 CB A:ASN139 4.8 13.7 1.0 O A:HOH733 4.8 11.6 1.0 ND1 A:HIS176 4.8 18.6 1.0 O A:PHE200 4.8 21.1 1.0 CG2 A:ILE190 4.9 10.6 1.0

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


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- Maltohexaose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca686 b:26.6 occ:1.00 OD1 A:ASN33 2.2 26.5 1.0 OD1 A:ASN32 2.3 32.6 1.0 OD2 A:ASP53 2.4 22.2 1.0 OD1 A:ASP27 2.4 26.3 1.0 O A:GLY51 2.4 29.9 1.0 O A:ASN29 2.6 34.9 1.0 CG A:ASP27 3.4 27.0 1.0 CG A:ASN33 3.4 27.6 1.0 CG A:ASP53 3.4 22.4 1.0 CG A:ASN32 3.4 31.1 1.0 C A:GLY51 3.5 27.5 1.0 C A:ASN29 3.6 34.1 1.0 CB A:ASP53 3.9 22.1 1.0 OD2 A:ASP27 3.9 26.3 1.0 ND2 A:ASN32 4.0 29.7 1.0 CA A:GLY51 4.0 27.1 1.0 N A:ASN33 4.1 30.0 1.0 O A:TYR111 4.2 28.0 1.0 ND2 A:ASN33 4.2 27.6 1.0 N A:PRO30 4.3 34.3 1.0 CA A:PRO30 4.3 33.3 1.0 CA A:ASN33 4.4 30.2 1.0 CB A:ASP27 4.4 26.7 1.0 C A:ASN32 4.4 32.3 1.0 N A:ASN29 4.4 34.0 1.0 CB A:ASN33 4.5 26.9 1.0 CA A:ASP27 4.5 28.8 1.0 OD1 A:ASP53 4.5 21.3 1.0 CA A:ASN29 4.5 33.7 1.0 C A:GLY52 4.6 24.4 1.0 N A:GLY52 4.7 27.0 1.0 CB A:ASN32 4.7 31.1 1.0 N A:ASP53 4.7 22.4 1.0 N A:ASN32 4.7 33.5 1.0 O A:GLY52 4.7 25.7 1.0 C A:PRO30 4.8 32.5 1.0 CA A:ASN32 4.8 31.7 1.0 O A:HOH806 4.9 23.4 1.0 O A:ASN32 4.9 34.7 1.0 C A:ASP27 4.9 29.8 1.0 CB A:ASN29 4.9 34.7 1.0 CA A:ASP53 4.9 22.3 1.0 CA A:GLY52 5.0 24.5 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