Calcium in PDB 4cgt: Deletion Mutant Delta(145-150), F151D of Cyclodextrin Glycosyltransferase

All present enzymatic activity of Deletion Mutant Delta(145-150), F151D of Cyclodextrin Glycosyltransferase:
2.4.1.19;

The structure of Deletion Mutant Delta(145-150), F151D of Cyclodextrin Glycosyltransferase, PDB code: 4cgt 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 / 2.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	94.500, 104.600, 113.400, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / 27.2

The binding sites of Calcium atom in the Deletion Mutant Delta(145-150), F151D of Cyclodextrin Glycosyltransferase (pdb code 4cgt). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Deletion Mutant Delta(145-150), F151D of Cyclodextrin Glycosyltransferase, PDB code: 4cgt:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Deletion Mutant Delta(145-150), F151D of Cyclodextrin Glycosyltransferase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Deletion Mutant Delta(145-150), F151D of Cyclodextrin Glycosyltransferase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca685 b:22.1 occ:1.00 O A:HOH688 2.2 6.1 1.0 O A:HOH695 2.2 10.6 1.0 OD2 A:ASP199 2.3 10.1 1.0 O A:HIS233 2.4 2.0 1.0 O A:HOH689 2.4 2.0 1.0 OD1 A:ASN139 2.4 2.0 1.0 O A:ILE190 2.6 3.9 1.0 CG A:ASP199 3.2 2.0 1.0 CG A:ASN139 3.5 8.6 1.0 OD1 A:ASP199 3.5 3.9 1.0 C A:HIS233 3.6 3.0 1.0 C A:ILE190 3.7 3.9 1.0 ND2 A:ASN139 3.9 5.7 1.0 CB A:HIS233 4.2 2.0 1.0 O A:GLY189 4.2 2.0 1.0 CA A:ILE190 4.3 2.5 1.0 CB A:ASP199 4.4 2.4 1.0 CA A:HIS233 4.4 3.5 1.0 N A:MET234 4.6 2.2 1.0 O A:LYS192 4.6 11.5 1.0 CG A:MET234 4.6 2.2 1.0 O A:HOH830 4.6 2.0 1.0 O A:ASN139 4.6 11.7 1.0 CA A:MET234 4.7 3.5 1.0 ND1 A:HIS176 4.8 3.8 1.0 N A:TYR191 4.8 4.7 1.0 CB A:ASN139 4.9 2.0 1.0

Calcium binding site 2 out of 2 in the Deletion Mutant Delta(145-150), F151D of Cyclodextrin Glycosyltransferase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Deletion Mutant Delta(145-150), F151D of Cyclodextrin Glycosyltransferase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca686 b:10.6 occ:1.00 OD1 A:ASN33 2.2 2.0 1.0 OD2 A:ASP53 2.3 16.7 1.0 O A:HOH800 2.3 5.3 1.0 O A:GLY51 2.3 8.3 1.0 OD1 A:ASN32 2.3 16.2 1.0 O A:ASN29 2.4 21.0 1.0 OD1 A:ASP27 2.7 9.9 1.0 CG A:ASP53 3.3 17.0 1.0 CG A:ASN33 3.4 5.1 1.0 CG A:ASN32 3.4 11.3 1.0 C A:GLY51 3.5 8.4 1.0 CG A:ASP27 3.6 21.4 1.0 CB A:ASP53 3.6 2.0 1.0 C A:ASN29 3.7 21.4 1.0 ND2 A:ASN32 3.9 11.6 1.0 CA A:GLY51 4.1 7.8 1.0 O A:GLY52 4.1 12.2 1.0 ND2 A:ASN33 4.2 13.8 1.0 O A:TYR111 4.2 6.8 1.0 N A:ASN33 4.2 15.0 1.0 OD2 A:ASP27 4.3 15.6 1.0 C A:GLY52 4.3 8.8 1.0 C A:ASN32 4.3 12.2 1.0 CA A:ASN33 4.4 15.1 1.0 OD1 A:ASP53 4.4 13.2 1.0 CB A:ASN33 4.4 7.1 1.0 N A:ASP53 4.5 5.0 1.0 CA A:ASP27 4.5 18.9 1.0 O A:ASN32 4.5 15.3 1.0 N A:PRO30 4.5 22.3 1.0 CA A:PRO30 4.5 23.7 1.0 CB A:ASP27 4.5 23.4 1.0 N A:GLY52 4.6 9.1 1.0 N A:ASN29 4.6 20.7 1.0 CA A:ASN29 4.6 19.6 1.0 CA A:ASP53 4.6 5.9 1.0 CB A:ASN32 4.7 9.3 1.0 N A:ASN32 4.8 18.0 1.0 CA A:ASN32 4.8 14.2 1.0 CA A:GLY52 4.8 8.4 1.0 CB A:ASN29 4.8 13.9 1.0 C A:ASP27 4.9 16.9 1.0 C A:PRO30 4.9 24.3 1.0 OD1 A:ASN29 5.0 3.8 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