Calcium in PDB 1kcl: Bacillus Ciruclans Strain 251 Cyclodextrin Glycosyl Transferase Mutant G179L

All present enzymatic activity of Bacillus Ciruclans Strain 251 Cyclodextrin Glycosyl Transferase Mutant G179L:
2.4.1.19;

The structure of Bacillus Ciruclans Strain 251 Cyclodextrin Glycosyl Transferase Mutant G179L, PDB code: 1kcl was solved by H.J.Rozeboom, J.C.M.Uitdehaag, B.W.Dijkstra, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.50 / 1.94
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	114.714, 109.473, 65.762, 90.00, 90.00, 90.00
R / Rfree (%)	17.1 / 19

The binding sites of Calcium atom in the Bacillus Ciruclans Strain 251 Cyclodextrin Glycosyl Transferase Mutant G179L (pdb code 1kcl). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Bacillus Ciruclans Strain 251 Cyclodextrin Glycosyl Transferase Mutant G179L, PDB code: 1kcl:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Bacillus Ciruclans Strain 251 Cyclodextrin Glycosyl Transferase Mutant G179L


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Bacillus Ciruclans Strain 251 Cyclodextrin Glycosyl Transferase Mutant G179L within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1691 b:18.9 occ:1.00 OD1 A:ASN33 2.2 26.6 1.0 OD1 A:ASP27 2.3 25.4 1.0 OD2 A:ASP53 2.3 19.5 1.0 OD1 A:ASN32 2.4 19.6 1.0 O A:HOH1758 2.5 14.3 1.0 O A:ASN29 2.5 20.6 1.0 O A:GLY51 2.5 18.3 1.0 CG A:ASP27 3.3 23.5 1.0 CG A:ASN33 3.3 25.1 1.0 C A:ASN29 3.4 20.3 1.0 CG A:ASP53 3.4 17.9 1.0 CG A:ASN32 3.5 18.7 1.0 C A:GLY51 3.6 17.3 1.0 CB A:ASP53 3.9 16.9 1.0 OD2 A:ASP27 3.9 23.1 1.0 CA A:GLY51 4.0 18.2 1.0 N A:ASN33 4.0 21.8 1.0 ND2 A:ASN33 4.0 25.8 1.0 N A:PRO30 4.1 21.2 1.0 ND2 A:ASN32 4.1 16.5 1.0 CA A:PRO30 4.2 21.6 1.0 N A:ASN29 4.2 18.3 1.0 O A:ALA111 4.2 17.6 1.0 CA A:ASN33 4.3 22.1 1.0 CA A:ASN29 4.3 20.0 1.0 CB A:ASP27 4.3 20.6 1.0 CB A:ASN33 4.4 22.9 1.0 C A:ASN32 4.4 21.5 1.0 OD1 A:ASP53 4.4 14.8 1.0 CA A:ASP27 4.5 19.5 1.0 C A:PRO30 4.6 21.7 1.0 N A:ASN32 4.7 24.2 1.0 N A:ASP53 4.7 15.1 1.0 CB A:ASN29 4.7 20.7 1.0 N A:GLY52 4.7 16.7 1.0 C A:GLY52 4.8 15.5 1.0 CB A:ASN32 4.8 21.0 1.0 O A:HOH1850 4.8 17.8 1.0 CA A:ASN32 4.9 21.9 1.0 O A:PRO30 4.9 22.0 1.0 C A:ASP27 4.9 18.9 1.0 O A:ASN32 4.9 21.5 1.0 N A:GLY28 4.9 18.6 1.0 CA A:ASP53 4.9 15.4 1.0

Calcium binding site 2 out of 2 in the Bacillus Ciruclans Strain 251 Cyclodextrin Glycosyl Transferase Mutant G179L


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Bacillus Ciruclans Strain 251 Cyclodextrin Glycosyl Transferase Mutant G179L within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1692 b:16.2 occ:1.00 O A:HIS233 2.3 13.5 1.0 OD1 A:ASN139 2.4 10.7 1.0 O A:HOH1776 2.4 16.1 1.0 O A:HOH1749 2.4 13.8 1.0 OD1 A:ASP199 2.5 17.8 1.0 O A:HOH1703 2.5 12.0 1.0 O A:ILE190 2.7 14.8 1.0 OD2 A:ASP199 2.7 15.6 1.0 CG A:ASP199 2.9 16.0 1.0 CG A:ASN139 3.5 11.3 1.0 C A:HIS233 3.6 14.0 1.0 C A:ILE190 3.8 13.5 1.0 ND2 A:ASN139 4.0 10.6 1.0 O A:ASN139 4.2 15.2 1.0 CA A:ILE190 4.3 13.6 1.0 CA A:MET234 4.4 14.9 1.0 CB A:HIS233 4.4 15.3 1.0 N A:MET234 4.4 14.3 1.0 CB A:ASP199 4.4 16.0 1.0 O A:LYS192 4.5 16.5 1.0 CG A:MET234 4.5 13.5 1.0 CA A:HIS233 4.5 15.0 1.0 O A:GLY189 4.6 14.6 1.0 O A:HOH1747 4.6 12.8 1.0 CB A:ASN139 4.7 12.7 1.0 CG2 A:ILE190 4.7 12.5 1.0 ND1 A:HIS176 4.8 16.8 1.0 O A:LEU200 4.8 15.5 1.0 N A:TYR191 4.9 13.0 1.0 O A:HOH1793 4.9 15.4 1.0 C A:ASN139 5.0 15.7 1.0 CA A:ASN139 5.0 14.1 1.0

H.Leemhuis, J.C.Uitdehaag, H.J.Rozeboom, B.W.Dijkstra, L.Dijkhuizen. The Remote Substrate Binding Subsite -6 in Cyclodextrin-Glycosyltransferase Controls the Transferase Activity of the Enzyme Via An Induced-Fit Mechanism. J.Biol.Chem. V. 277 1113 2002.
ISSN: ISSN 0021-9258
PubMed: 11696539
DOI: 10.1074/JBC.M106667200