Calcium in PDB 6aij: Cyclodextrin Glycosyltransferase From Paenibacillus Macerans Mutant N603D

All present enzymatic activity of Cyclodextrin Glycosyltransferase From Paenibacillus Macerans Mutant N603D:
2.4.1.19;

The structure of Cyclodextrin Glycosyltransferase From Paenibacillus Macerans Mutant N603D, PDB code: 6aij was solved by C.M.Li, X.F.Ban, Z.F.Li, Y.L.Li, S.D.Cheng, C.Y.Zhang, T.C.Jin, Z.B.Gu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.39 / 2.10
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	102.350, 102.350, 115.500, 90.00, 90.00, 120.00
R / Rfree (%)	18.1 / 23.7

The binding sites of Calcium atom in the Cyclodextrin Glycosyltransferase From Paenibacillus Macerans Mutant N603D (pdb code 6aij). 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 From Paenibacillus Macerans Mutant N603D, PDB code: 6aij:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Cyclodextrin Glycosyltransferase From Paenibacillus Macerans Mutant N603D


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Cyclodextrin Glycosyltransferase From Paenibacillus Macerans Mutant N603D within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca701 b:41.6 occ:1.00 OD2 A:ASP53 2.3 46.8 1.0 OD1 A:ASN32 2.4 48.8 1.0 OD1 A:ASN33 2.4 38.3 1.0 O A:ASP29 2.4 50.8 1.0 O A:GLY51 2.4 33.1 1.0 OD1 A:ASP27 2.6 43.0 1.0 CG A:ASP53 3.3 44.2 1.0 CG A:ASP27 3.4 45.8 1.0 C A:ASP29 3.5 52.3 1.0 CG A:ASN32 3.5 42.2 1.0 C A:GLY51 3.5 35.5 1.0 CG A:ASN33 3.6 39.0 1.0 OD2 A:ASP27 3.8 44.5 1.0 CB A:ASP53 3.8 37.0 1.0 ND2 A:ASN32 4.0 40.5 1.0 CA A:GLY51 4.0 33.9 1.0 N A:ASP29 4.2 43.8 1.0 N A:ASN33 4.3 46.5 1.0 N A:ARG30 4.3 49.9 1.0 O A:ALA111 4.3 43.8 1.0 CA A:ASP29 4.3 42.2 1.0 OD1 A:ASP53 4.4 43.1 1.0 ND2 A:ASN33 4.4 40.3 1.0 CA A:ARG30 4.4 49.0 1.0 CB A:ASP27 4.4 38.2 1.0 C A:ASN32 4.4 45.0 1.0 CA A:ASN33 4.5 46.0 1.0 CA A:ASP27 4.6 35.3 1.0 CB A:ASN33 4.6 42.2 1.0 N A:GLY52 4.7 37.4 1.0 CB A:ASP29 4.7 44.1 1.0 C A:GLY52 4.7 39.3 1.0 O A:ASN32 4.7 45.1 1.0 CB A:ASN32 4.8 39.8 1.0 N A:ASP53 4.8 37.1 1.0 O A:GLY52 4.8 36.5 1.0 N A:ASN32 4.9 39.3 1.0 C A:ARG30 4.9 48.2 1.0 CA A:ASN32 4.9 41.0 1.0 N A:GLY28 4.9 33.1 1.0 CA A:ASP53 4.9 43.0 1.0 C A:ASP27 5.0 44.7 1.0 CA A:GLY52 5.0 37.7 1.0

Calcium binding site 2 out of 4 in the Cyclodextrin Glycosyltransferase From Paenibacillus Macerans Mutant N603D


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Cyclodextrin Glycosyltransferase From Paenibacillus Macerans Mutant N603D within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca702 b:0.4 occ:1.00 OG1 A:THR67 3.6 35.9 1.0 O A:ASN62 3.7 39.4 1.0 NE2 A:HIS128 3.8 33.4 1.0 CD2 A:HIS128 3.9 33.5 1.0 O A:ILE61 3.9 37.5 1.0 CA A:GLY64 4.1 30.5 1.0 CG2 A:THR67 4.3 26.0 1.0 N A:GLY64 4.4 31.4 1.0 CB A:THR67 4.4 29.1 1.0 C A:ASN62 4.5 40.0 1.0

Calcium binding site 3 out of 4 in the Cyclodextrin Glycosyltransferase From Paenibacillus Macerans Mutant N603D


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Cyclodextrin Glycosyltransferase From Paenibacillus Macerans Mutant N603D within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca703 b:32.1 occ:1.00 O A:HOH815 2.4 25.0 1.0 OD1 A:ASN139 2.4 27.7 1.0 OD1 A:ASP199 2.4 30.0 1.0 O A:HIS233 2.5 24.9 1.0 O A:HOH819 2.5 25.8 1.0 OD2 A:ASP199 2.6 33.8 1.0 O A:ILE190 2.6 32.3 1.0 CG A:ASP199 2.9 34.3 1.0 CG A:ASN139 3.4 32.5 1.0 C A:HIS233 3.7 23.7 1.0 C A:ILE190 3.7 25.6 1.0 ND2 A:ASN139 3.9 23.6 1.0 CA A:ILE190 4.2 26.2 1.0 O A:ASN139 4.3 32.4 1.0 O A:LYS192 4.3 35.9 1.0 CB A:ASP199 4.4 28.3 1.0 CB A:HIS233 4.4 29.1 1.0 O A:GLY189 4.4 31.4 1.0 CG A:MET234 4.5 38.8 1.0 N A:MET234 4.6 24.2 1.0 CA A:MET234 4.6 25.2 1.0 CA A:HIS233 4.6 22.7 1.0 CB A:ASN139 4.7 34.5 1.0 N A:TYR191 4.8 31.1 1.0 O A:ILE200 4.8 26.0 1.0 ND1 A:HIS176 4.9 29.6 1.0 CG2 A:ILE190 4.9 21.8 1.0 CA A:ASN139 5.0 28.7 1.0

Calcium binding site 4 out of 4 in the Cyclodextrin Glycosyltransferase From Paenibacillus Macerans Mutant N603D


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Cyclodextrin Glycosyltransferase From Paenibacillus Macerans Mutant N603D within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca704 b:95.2 occ:1.00 OD2 A:ASP264 2.6 63.9 1.0 OE1 A:GLU292 2.7 41.3 1.0 OE2 A:GLU299 2.7 74.8 1.0 CD A:GLU292 3.6 47.0 1.0 CG A:ASP264 3.6 57.1 1.0 CD A:GLU299 3.7 63.5 1.0 OE2 A:GLU292 3.7 46.3 1.0 OD1 A:ASP264 3.9 59.1 1.0 CG A:GLU299 3.9 47.9 1.0 O A:THR298 4.1 33.4 1.0 OG1 A:THR298 4.8 33.7 1.0 CB A:THR298 4.8 39.2 1.0 OE1 A:GLU299 4.8 72.7 1.0 C A:THR298 4.9 31.2 1.0 CB A:ASP264 5.0 50.6 1.0

X.F.Ban, Z.B.Gu, Z.F.Li, Y.L.Li, C.M.Li, S.D.Cheng, C.Y.Zhang, T.C.Jin. Cyclodextrin Glycosyltransferase From Paenibacillus Macerans Mutant N603D To Be Published.