Calcium in PDB 1pez: Bacillus Circulans Strain 251 Mutant A230V

All present enzymatic activity of Bacillus Circulans Strain 251 Mutant A230V:
2.4.1.19;

The structure of Bacillus Circulans Strain 251 Mutant A230V, PDB code: 1pez 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)	23.00 / 2.32
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	117.622, 109.706, 65.577, 90.00, 90.00, 90.00
R / Rfree (%)	15.5 / 19.9

The binding sites of Calcium atom in the Bacillus Circulans Strain 251 Mutant A230V (pdb code 1pez). 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 Mutant A230V, PDB code: 1pez:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Bacillus Circulans Strain 251 Mutant A230V


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 Mutant A230V within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca890 b:25.4 occ:1.00 OD1 A:ASN33 2.1 25.2 1.0 OD2 A:ASP53 2.3 21.4 1.0 O A:HOH1063 2.4 23.1 1.0 OD1 A:ASN32 2.4 18.2 1.0 OD1 A:ASP27 2.5 22.6 1.0 O A:ASN29 2.6 25.8 1.0 O A:GLY51 2.6 21.4 1.0 CG A:ASN33 3.3 25.1 1.0 CG A:ASP53 3.3 20.7 1.0 CG A:ASP27 3.4 24.8 1.0 C A:ASN29 3.4 26.0 1.0 CG A:ASN32 3.5 21.7 1.0 C A:GLY51 3.6 21.3 1.0 CB A:ASP53 3.8 19.3 1.0 OD2 A:ASP27 3.9 24.6 1.0 CA A:GLY51 4.0 21.0 1.0 ND2 A:ASN32 4.1 19.3 1.0 ND2 A:ASN33 4.1 23.2 1.0 N A:ASN33 4.1 26.7 1.0 N A:ASN29 4.2 24.6 1.0 O A:ALA111 4.2 19.2 1.0 N A:PRO30 4.2 26.7 1.0 CA A:ASN29 4.3 25.9 1.0 CA A:PRO30 4.3 26.5 1.0 CA A:ASN33 4.3 27.3 1.0 CB A:ASN33 4.4 25.6 1.0 C A:ASN32 4.4 25.6 1.0 OD1 A:ASP53 4.4 22.4 1.0 CB A:ASP27 4.4 24.2 1.0 CA A:ASP27 4.6 22.5 1.0 CB A:ASN29 4.7 26.8 1.0 N A:ASP53 4.7 18.1 1.0 C A:PRO30 4.7 26.7 1.0 N A:ASN32 4.7 26.8 1.0 CB A:ASN32 4.8 24.7 1.0 C A:GLY52 4.8 18.2 1.0 O A:HOH964 4.8 14.9 1.0 N A:GLY52 4.8 19.6 1.0 CA A:ASN32 4.9 25.4 1.0 O A:ASN32 4.9 24.9 1.0 CA A:ASP53 4.9 18.9 1.0 N A:GLY28 4.9 20.8 1.0 C A:ASP27 4.9 21.4 1.0 O A:PRO30 5.0 27.6 1.0 O A:GLY52 5.0 17.1 1.0

Calcium binding site 2 out of 3 in the Bacillus Circulans Strain 251 Mutant A230V


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 Mutant A230V within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca891 b:19.2 occ:1.00 O A:HOH949 2.3 14.8 1.0 OD1 A:ASN139 2.3 17.8 1.0 O A:HIS233 2.4 20.1 1.0 O A:HOH969 2.4 15.5 1.0 OD1 A:ASP199 2.5 20.6 1.0 O A:HOH926 2.5 12.2 1.0 OD2 A:ASP199 2.6 21.6 1.0 O A:ILE190 2.8 20.7 1.0 CG A:ASP199 2.9 23.7 1.0 CG A:ASN139 3.4 20.0 1.0 C A:HIS233 3.6 19.3 1.0 C A:ILE190 3.9 21.0 1.0 ND2 A:ASN139 4.0 20.1 1.0 O A:ASN139 4.3 19.7 1.0 CA A:ILE190 4.4 19.5 1.0 CB A:ASP199 4.4 22.4 1.0 CA A:MET234 4.4 18.1 1.0 CB A:HIS233 4.4 20.4 1.0 N A:MET234 4.4 19.6 1.0 CG A:MET234 4.6 16.3 1.0 CA A:HIS233 4.6 19.6 1.0 O A:LYS192 4.6 23.1 1.0 O A:GLY189 4.6 17.0 1.0 O A:HOH952 4.7 15.3 1.0 CB A:ASN139 4.7 19.7 1.0 ND1 A:HIS176 4.8 20.5 1.0 O A:LEU200 4.8 20.0 1.0 CG2 A:ILE190 4.9 16.9 1.0 N A:TYR191 5.0 20.8 1.0 CA A:ASN139 5.0 20.7 1.0 C A:ASN139 5.0 20.5 1.0

Calcium binding site 3 out of 3 in the Bacillus Circulans Strain 251 Mutant A230V


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 Mutant A230V within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca892 b:23.7 occ:1.00 O A:ALA315 2.3 12.7 1.0 O A:HOH1264 2.3 35.6 1.0 O A:HOH1444 2.4 40.9 1.0 O A:HOH1013 2.4 18.2 1.0 O A:HOH1267 2.4 33.1 1.0 O A:HOH973 2.4 16.0 1.0 OD1 A:ASP577 2.6 22.3 1.0 C A:ALA315 3.4 14.9 1.0 CG A:ASP577 3.7 19.7 1.0 CA A:ALA315 4.1 15.3 1.0 OD2 A:ASP577 4.1 25.0 1.0 O A:HOH914 4.1 10.6 1.0 O A:HOH1237 4.4 31.0 1.0 O A:ASP577 4.5 17.7 1.0 N A:GLN316 4.5 13.7 1.0 CB A:ALA315 4.5 14.0 1.0 OE1 A:GLN316 4.6 14.4 1.0 O A:HOH1240 4.6 35.2 1.0 N A:ASP577 4.6 16.2 1.0 O A:HOH935 4.8 13.4 1.0 O A:HOH1206 4.8 33.1 1.0 CA A:GLN316 4.8 14.3 1.0 O A:HOH1052 4.8 22.5 1.0 C A:ASP577 4.9 16.7 1.0 CB A:ASP577 4.9 19.0 1.0 CG A:GLN316 4.9 12.9 1.0

H.Leemhuis, H.J.Rozeboom, M.Wilbrink, G.J.Euverink, B.W.Dijkstra, L.Dijkhuizen. Conversion of Cyclodextrin Glycosyltransferase Into A Starch Hydrolase By Directed Evolution: the Role of Alanine 230 in Acceptor Subsite +1 Biochemistry V. 42 7518 2003.
ISSN: ISSN 0006-2960
PubMed: 12809508
DOI: 10.1021/BI034439Q