Calcium in PDB 1pj9: Bacillus Circulans Strain 251 Loop Mutant 183-195

All present enzymatic activity of Bacillus Circulans Strain 251 Loop Mutant 183-195:
2.4.1.19;

The structure of Bacillus Circulans Strain 251 Loop Mutant 183-195, PDB code: 1pj9 was solved by H.J.Rozeboom, B.W.Dijkstra, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.90 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	117.247, 109.643, 65.352, 90.00, 90.00, 90.00
R / Rfree (%)	15.2 / 17.6

The binding sites of Calcium atom in the Bacillus Circulans Strain 251 Loop Mutant 183-195 (pdb code 1pj9). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Bacillus Circulans Strain 251 Loop Mutant 183-195, PDB code: 1pj9:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Bacillus Circulans Strain 251 Loop Mutant 183-195


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Bacillus Circulans Strain 251 Loop Mutant 183-195 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca890 b:18.4 occ:1.00 OD1 A:ASN33 2.2 21.1 1.0 OD1 A:ASN32 2.3 15.8 1.0 OD2 A:ASP53 2.4 16.7 1.0 O A:HOH986 2.4 15.6 1.0 OD1 A:ASP27 2.4 19.7 1.0 O A:GLY51 2.5 15.5 1.0 O A:ASN29 2.6 15.2 1.0 CG A:ASP53 3.4 16.3 1.0 CG A:ASP27 3.4 19.3 1.0 CG A:ASN33 3.4 20.6 1.0 CG A:ASN32 3.5 16.1 1.0 C A:ASN29 3.5 17.4 1.0 C A:GLY51 3.6 15.8 1.0 CB A:ASP53 3.8 13.4 1.0 OD2 A:ASP27 4.0 18.0 1.0 ND2 A:ASN32 4.0 15.6 1.0 N A:ASN33 4.0 19.2 1.0 CA A:GLY51 4.1 15.9 1.0 O A:ALA111 4.2 16.0 1.0 ND2 A:ASN33 4.2 19.0 1.0 N A:PRO30 4.2 18.0 1.0 N A:ASN29 4.3 17.9 1.0 CA A:PRO30 4.3 19.1 1.0 CA A:ASN33 4.3 20.4 1.0 C A:ASN32 4.4 19.2 1.0 CA A:ASN29 4.4 18.3 1.0 CB A:ASP27 4.4 17.7 1.0 OD1 A:ASP53 4.5 14.1 1.0 CB A:ASN33 4.5 19.8 1.0 CA A:ASP27 4.5 17.3 1.0 N A:ASN32 4.7 19.3 1.0 CB A:ASN32 4.7 18.6 1.0 C A:PRO30 4.7 18.9 1.0 CB A:ASN29 4.7 18.0 1.0 C A:GLY52 4.8 13.8 1.0 N A:ASP53 4.8 13.0 1.0 N A:GLY52 4.8 15.7 1.0 CA A:ASN32 4.8 18.6 1.0 O A:ASN32 4.9 17.8 1.0 O A:HOH961 4.9 12.7 1.0 O A:PRO30 4.9 20.6 1.0 CA A:ASP53 4.9 14.3 1.0 C A:ASP27 4.9 17.4 1.0 N A:GLY28 5.0 18.1 1.0 O A:GLY52 5.0 13.5 1.0

Calcium binding site 2 out of 3 in the Bacillus Circulans Strain 251 Loop Mutant 183-195


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Bacillus Circulans Strain 251 Loop Mutant 183-195 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca891 b:13.1 occ:1.00 OD1 A:ASN139 2.4 12.6 1.0 O A:HOH1014 2.4 14.6 1.0 O A:HIS233 2.4 12.0 1.0 O A:HOH940 2.4 11.5 1.0 OD1 A:ASP199 2.4 12.8 1.0 O A:HOH896 2.5 9.9 1.0 OD2 A:ASP199 2.5 13.3 1.0 O A:ILE190 2.6 12.5 1.0 CG A:ASP199 2.8 14.7 1.0 CG A:ASN139 3.5 13.6 1.0 C A:HIS233 3.6 12.9 1.0 C A:ILE190 3.7 13.4 1.0 ND2 A:ASN139 4.0 12.9 1.0 CA A:ILE190 4.2 11.4 1.0 O A:ASN139 4.3 13.0 1.0 CB A:ASP199 4.3 12.7 1.0 CA A:MET234 4.4 11.5 1.0 CB A:HIS233 4.4 14.4 1.0 N A:MET234 4.5 11.1 1.0 O A:ARG192 4.5 14.9 1.0 O A:GLY189 4.6 13.8 1.0 CG A:MET234 4.6 11.7 1.0 CA A:HIS233 4.6 13.2 1.0 O A:HOH1004 4.6 14.9 1.0 CB A:ASN139 4.7 11.8 1.0 ND1 A:HIS176 4.7 13.6 1.0 O A:LEU200 4.8 15.6 1.0 CG2 A:ILE190 4.8 10.8 1.0 N A:TYR191 4.8 13.9 1.0 O A:HOH1010 5.0 17.4 1.0

Calcium binding site 3 out of 3 in the Bacillus Circulans Strain 251 Loop Mutant 183-195


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Bacillus Circulans Strain 251 Loop Mutant 183-195 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca892 b:27.2 occ:1.00 O A:ALA315 2.3 11.5 1.0 O A:HOH939 2.3 11.6 1.0 O A:HOH1656 2.5 46.6 1.0 O A:HOH1312 2.5 33.6 1.0 OD1 A:ASP577 2.5 24.5 1.0 O A:HOH1140 2.6 20.3 1.0 O A:HOH1338 2.8 37.6 1.0 C A:ALA315 3.4 11.2 1.0 CG A:ASP577 3.7 22.5 1.0 CA A:ALA315 4.1 11.6 1.0 OD2 A:ASP577 4.1 28.1 1.0 O A:HOH1290 4.2 16.1 1.0 O A:HOH1287 4.4 33.3 1.0 N A:GLN316 4.5 11.2 1.0 O A:ASP577 4.5 11.7 1.0 CB A:ALA315 4.5 12.7 1.0 OE1 A:GLN316 4.5 12.1 1.0 N A:ASP577 4.6 12.7 1.0 O A:HOH1685 4.6 44.3 1.0 O A:HOH1018 4.7 17.1 1.0 O A:HOH1590 4.7 44.2 1.0 CA A:GLN316 4.8 11.1 1.0 O A:HOH956 4.8 12.7 1.0 C A:ASP577 4.9 13.8 1.0 CB A:ASP577 4.9 19.3 1.0 CG A:GLN316 4.9 8.8 1.0 CA A:ASP577 5.0 14.3 1.0

H.Leemhuis, H.J.Rozeboom, B.W.Dijkstra, L.Dijkhuizen. Improved Thermostability of Bacillus Circulans Cyclodextrin Glycosyltransferase By the Introduction of A Salt Bridge Proteins: V. 54 128 2004STRUCT.,Funct.,Genet..
ISSN: ISSN 0887-3585
PubMed: 14705029
DOI: 10.1002/PROT.10516