Calcium in PDB 1tcm: Cyclodextrin Glycosyltransferase W616A Mutant From Bacillus Circulans Strain 251

All present enzymatic activity of Cyclodextrin Glycosyltransferase W616A Mutant From Bacillus Circulans Strain 251:
2.4.1.19;

The structure of Cyclodextrin Glycosyltransferase W616A Mutant From Bacillus Circulans Strain 251, PDB code: 1tcm was solved by R.M.A.Knegtel, B.W.Dijkstra, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	6.50 / 2.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	73.700, 84.800, 118.300, 90.00, 107.00, 90.00
R / Rfree (%)	19.3 / 25

The binding sites of Calcium atom in the Cyclodextrin Glycosyltransferase W616A Mutant From Bacillus Circulans Strain 251 (pdb code 1tcm). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Cyclodextrin Glycosyltransferase W616A Mutant From Bacillus Circulans Strain 251, PDB code: 1tcm:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Cyclodextrin Glycosyltransferase W616A Mutant From Bacillus Circulans Strain 251


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Cyclodextrin Glycosyltransferase W616A Mutant From Bacillus Circulans Strain 251 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca687 b:23.5 occ:1.00 OD2 A:ASP53 2.4 26.8 1.0 OD1 A:ASN32 2.5 14.4 1.0 OD1 A:ASP27 2.6 20.5 1.0 O A:GLY51 2.6 21.5 1.0 O A:ASN29 2.7 26.1 1.0 OD1 A:ASN33 2.8 26.9 1.0 CG A:ASP53 3.5 21.4 1.0 CG A:ASN32 3.5 30.1 1.0 CG A:ASP27 3.5 24.2 1.0 C A:GLY51 3.6 20.8 1.0 C A:ASN29 3.7 25.2 1.0 CB A:ASP53 3.9 13.4 1.0 CG A:ASN33 3.9 30.0 1.0 CA A:GLY51 4.0 23.1 1.0 ND2 A:ASN32 4.0 18.5 1.0 N A:ASN33 4.1 21.7 1.0 OD2 A:ASP27 4.2 23.1 1.0 C A:ASN32 4.3 24.2 1.0 CA A:ASN33 4.4 20.8 1.0 O A:HOH767 4.4 93.6 1.0 CA A:PRO30 4.4 19.2 1.0 N A:PRO30 4.4 19.7 1.0 OD1 A:ASP53 4.5 21.6 1.0 N A:ASN29 4.5 23.2 1.0 CB A:ASP27 4.5 20.7 1.0 O A:ALA111 4.6 16.9 1.0 CA A:ASN29 4.6 22.1 1.0 CB A:ASN32 4.6 13.5 1.0 CB A:ASN33 4.7 17.0 1.0 O A:ASN32 4.7 23.4 1.0 CA A:ASP27 4.7 20.1 1.0 N A:ASN32 4.7 20.2 1.0 C A:PRO30 4.7 25.7 1.0 CA A:ASN32 4.7 19.2 1.0 C A:GLY52 4.8 18.4 1.0 N A:ASP53 4.8 14.3 1.0 N A:GLY52 4.8 13.5 1.0 ND2 A:ASN33 4.9 17.2 1.0 O A:PRO30 4.9 26.7 1.0 CA A:ASP53 5.0 13.0 1.0

Calcium binding site 2 out of 4 in the Cyclodextrin Glycosyltransferase W616A Mutant From Bacillus Circulans Strain 251


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Cyclodextrin Glycosyltransferase W616A Mutant From Bacillus Circulans Strain 251 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca688 b:12.6 occ:1.00 OD1 A:ASP199 2.3 11.4 1.0 O A:HIS233 2.5 19.0 1.0 OD1 A:ASN139 2.6 18.6 1.0 OD2 A:ASP199 2.7 19.9 1.0 CG A:ASP199 2.8 13.5 1.0 O A:ILE190 2.9 7.6 1.0 O A:HOH698 3.1 35.9 1.0 C A:HIS233 3.7 17.7 1.0 CG A:ASN139 3.8 24.9 1.0 C A:ILE190 4.0 10.1 1.0 O A:ASN139 4.2 27.2 1.0 CB A:ASP199 4.3 5.1 1.0 CA A:MET234 4.4 13.3 1.0 CG A:MET234 4.4 18.3 1.0 N A:MET234 4.5 12.7 1.0 ND2 A:ASN139 4.6 13.3 1.0 CA A:ILE190 4.6 1.0 1.0 O A:LEU200 4.6 2.2 1.0 CB A:HIS233 4.6 14.8 1.0 O A:HOH694 4.6 25.8 1.0 CA A:HIS233 4.7 13.6 1.0 CE1 A:HIS202 4.9 1.6 1.0 CG2 A:ILE190 4.9 2.2 1.0 C A:ASN139 4.9 24.8 1.0 CB A:ASN139 4.9 17.9 1.0 ND1 A:HIS176 4.9 4.0 1.0 CD A:PRO235 4.9 13.6 1.0 CA A:ASN139 5.0 19.0 1.0

Calcium binding site 3 out of 4 in the Cyclodextrin Glycosyltransferase W616A Mutant From Bacillus Circulans Strain 251


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Cyclodextrin Glycosyltransferase W616A Mutant From Bacillus Circulans Strain 251 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca687 b:16.0 occ:1.00 OD1 B:ASP27 2.2 20.5 1.0 OD1 B:ASN33 2.2 19.1 1.0 O B:GLY51 2.5 20.9 1.0 OD2 B:ASP53 2.6 15.3 1.0 OD1 B:ASN32 2.6 23.7 1.0 O B:ASN29 2.9 18.3 1.0 CG B:ASP27 3.1 18.7 1.0 CG B:ASN33 3.4 16.1 1.0 C B:GLY51 3.5 18.2 1.0 OD2 B:ASP27 3.6 20.0 1.0 C B:ASN29 3.6 20.9 1.0 CG B:ASN32 3.7 31.3 1.0 CG B:ASP53 3.7 20.1 1.0 CA B:GLY51 4.0 12.4 1.0 CB B:ASP53 4.1 15.1 1.0 N B:ASN33 4.1 13.6 1.0 CA B:PRO30 4.1 18.3 1.0 ND2 B:ASN32 4.2 13.5 1.0 N B:PRO30 4.2 18.8 1.0 ND2 B:ASN33 4.2 1.0 1.0 CA B:ASN33 4.3 11.6 1.0 CB B:ASP27 4.3 16.4 1.0 O B:ALA111 4.3 21.3 1.0 CB B:ASN33 4.5 2.3 1.0 CA B:ASP27 4.5 13.2 1.0 N B:ASN29 4.5 16.1 1.0 CA B:ASN29 4.5 16.6 1.0 O B:HOH767 4.6 48.3 1.0 N B:GLY52 4.7 13.5 1.0 N B:ASP53 4.7 13.4 1.0 C B:ASN32 4.7 18.0 1.0 C B:PRO30 4.7 19.3 1.0 OD1 B:ASP53 4.8 22.5 1.0 C B:GLY52 4.8 15.2 1.0 N B:ASN32 4.9 14.7 1.0 C B:ASP27 4.9 14.1 1.0 CB B:ASN32 4.9 15.3 1.0

Calcium binding site 4 out of 4 in the Cyclodextrin Glycosyltransferase W616A Mutant From Bacillus Circulans Strain 251


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Cyclodextrin Glycosyltransferase W616A Mutant From Bacillus Circulans Strain 251 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca688 b:11.4 occ:1.00 O B:ILE190 2.5 11.3 1.0 OD2 B:ASP199 2.7 13.7 1.0 O B:HIS233 2.8 13.6 1.0 C B:ILE190 3.5 11.4 1.0 CG2 B:ILE190 3.7 6.0 1.0 OD1 B:ASN139 3.8 10.7 1.0 C B:HIS233 3.9 12.9 1.0 CA B:MET234 4.0 6.3 1.0 CG B:ASP199 4.0 11.3 1.0 CD B:PRO235 4.0 12.5 1.0 CA B:ILE190 4.2 6.3 1.0 ND1 B:HIS176 4.2 21.0 1.0 O B:LEU200 4.3 13.5 1.0 CE1 B:HIS176 4.3 19.8 1.0 N B:MET234 4.4 7.2 1.0 CG B:MET234 4.4 8.0 1.0 N B:TYR191 4.4 5.9 1.0 CB B:ILE190 4.6 7.9 1.0 OD1 B:ASP199 4.6 12.8 1.0 CA B:TYR191 4.7 5.3 1.0 CD1 B:TYR191 4.7 1.0 1.0 ND1 B:HIS202 4.7 13.7 1.0 C B:MET234 4.8 14.4 1.0 N B:PRO235 4.8 12.2 1.0 CG B:PRO235 4.8 17.5 1.0 CB B:MET234 4.8 6.7 1.0 CB B:ASP199 4.9 1.0 1.0 CE1 B:HIS202 4.9 13.0 1.0

D.Penninga, B.A.Van Der Veen, R.M.Knegtel, S.A.Van Hijum, H.J.Rozeboom, K.H.Kalk, B.W.Dijkstra, L.Dijkhuizen. The Raw Starch Binding Domain of Cyclodextrin Glycosyltransferase From Bacillus Circulans Strain 251. J.Biol.Chem. V. 271 32777 1996.
ISSN: ISSN 0021-9258
PubMed: 8955113
DOI: 10.1074/JBC.271.51.32777