Calcium in PDB 3cgt: Structure of Cyclodextrin Glycosyltransferase Complexed with Its Main Product Beta-Cyclodextrin

All present enzymatic activity of Structure of Cyclodextrin Glycosyltransferase Complexed with Its Main Product Beta-Cyclodextrin:
2.4.1.19;

The structure of Structure of Cyclodextrin Glycosyltransferase Complexed with Its Main Product Beta-Cyclodextrin, PDB code: 3cgt 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 (°)	94.500, 105.000, 113.800, 90.00, 90.00, 90.00
R / Rfree (%)	17.7 / 22.8

The binding sites of Calcium atom in the Structure of Cyclodextrin Glycosyltransferase Complexed with Its Main Product Beta-Cyclodextrin (pdb code 3cgt). 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 Its Main Product Beta-Cyclodextrin, PDB code: 3cgt:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Structure of Cyclodextrin Glycosyltransferase Complexed with Its Main Product Beta-Cyclodextrin


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 Its Main Product Beta-Cyclodextrin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca685 b:22.0 occ:1.00 OD1 A:ASN139 2.3 3.9 1.0 O A:HIS233 2.3 9.2 1.0 OD1 A:ASP199 2.3 17.7 1.0 OD2 A:ASP199 2.6 22.3 1.0 O A:ILE190 2.6 16.6 1.0 O A:HOH703 2.7 4.5 1.0 CG A:ASP199 2.8 16.1 1.0 CG A:ASN139 3.4 15.6 1.0 C A:HIS233 3.6 11.4 1.0 C A:ILE190 3.7 14.3 1.0 ND2 A:ASN139 3.9 11.3 1.0 CA A:ILE190 4.2 14.1 1.0 CB A:HIS233 4.2 9.5 1.0 O A:LYS192 4.3 24.5 1.0 CB A:ASP199 4.3 15.5 1.0 O A:GLY189 4.4 20.6 1.0 CA A:HIS233 4.4 15.7 1.0 N A:MET234 4.5 13.4 1.0 O A:ASN139 4.5 19.2 1.0 CA A:MET234 4.6 12.2 1.0 CG A:MET234 4.7 14.8 1.0 CB A:ASN139 4.7 11.6 1.0 N A:TYR191 4.7 18.9 1.0 O A:HOH733 4.7 8.1 1.0 CG2 A:ILE190 4.8 15.5 1.0 ND1 A:HIS176 4.9 20.4 1.0 O A:PHE200 4.9 22.6 1.0

Calcium binding site 2 out of 2 in the Structure of Cyclodextrin Glycosyltransferase Complexed with Its Main Product Beta-Cyclodextrin


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 Its Main Product Beta-Cyclodextrin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca686 b:24.8 occ:1.00 OD1 A:ASN33 2.1 23.1 1.0 OD1 A:ASN32 2.2 27.6 1.0 OD1 A:ASP27 2.3 19.9 1.0 OD2 A:ASP53 2.4 17.9 1.0 O A:GLY51 2.4 29.1 1.0 O A:ASN29 2.8 32.6 1.0 CG A:ASP27 3.3 21.9 1.0 CG A:ASN33 3.4 19.2 1.0 CG A:ASN32 3.4 26.3 1.0 CG A:ASP53 3.4 21.4 1.0 C A:GLY51 3.5 27.7 1.0 C A:ASN29 3.8 30.1 1.0 CB A:ASP53 3.8 16.4 1.0 N A:ASN33 4.0 26.5 1.0 CA A:GLY51 4.0 26.0 1.0 ND2 A:ASN32 4.0 23.3 1.0 OD2 A:ASP27 4.0 24.2 1.0 O A:TYR111 4.1 31.4 1.0 CA A:ASN33 4.2 24.1 1.0 ND2 A:ASN33 4.2 19.6 1.0 CB A:ASP27 4.3 23.5 1.0 C A:ASN32 4.3 28.8 1.0 CB A:ASN33 4.4 17.8 1.0 CA A:PRO30 4.4 30.4 1.0 N A:PRO30 4.4 30.3 1.0 CA A:ASP27 4.5 25.3 1.0 OD1 A:ASP53 4.5 11.6 1.0 N A:ASN29 4.6 30.8 1.0 CB A:ASN32 4.7 25.7 1.0 C A:GLY52 4.7 22.8 1.0 N A:ASN32 4.7 31.5 1.0 N A:ASP53 4.7 16.7 1.0 N A:GLY52 4.7 28.5 1.0 CA A:ASN29 4.7 31.1 1.0 CA A:ASN32 4.8 27.4 1.0 O A:ASN32 4.8 35.2 1.0 O A:GLY52 4.8 29.0 1.0 C A:PRO30 4.9 29.4 1.0 C A:ASP27 4.9 26.6 1.0 CA A:ASP53 4.9 20.4 1.0 O A:HOH806 5.0 29.9 1.0

A.K.Schmidt, S.Cottaz, H.Driguez, G.E.Schulz. Structure of Cyclodextrin Glycosyltransferase Complexed with A Derivative of Its Main Product Beta-Cyclodextrin. Biochemistry V. 37 5909 1998.
ISSN: ISSN 0006-2960
PubMed: 9558324
DOI: 10.1021/BI9729918