Calcium in PDB 6jeq: Crystal Structure of Pullulanase From Paenibacillus Barengoltzii Complex with Beta-Cyclodextrin

All present enzymatic activity of Crystal Structure of Pullulanase From Paenibacillus Barengoltzii Complex with Beta-Cyclodextrin:
3.2.1.41;

The structure of Crystal Structure of Pullulanase From Paenibacillus Barengoltzii Complex with Beta-Cyclodextrin, PDB code: 6jeq was solved by S.W.Wu, S.Q.Yang, Z.Qin, X.You, P.Huang, Z.Q.Jiang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.22 / 1.80
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.108, 97.866, 141.027, 90.00, 90.00, 90.00
R / Rfree (%)	16.1 / 19.7

The structure of Crystal Structure of Pullulanase From Paenibacillus Barengoltzii Complex with Beta-Cyclodextrin also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Calcium atom in the Crystal Structure of Pullulanase From Paenibacillus Barengoltzii Complex with Beta-Cyclodextrin (pdb code 6jeq). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Pullulanase From Paenibacillus Barengoltzii Complex with Beta-Cyclodextrin, PDB code: 6jeq:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Pullulanase From Paenibacillus Barengoltzii Complex with Beta-Cyclodextrin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Pullulanase From Paenibacillus Barengoltzii Complex with Beta-Cyclodextrin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca729 b:34.8 occ:1.00 O A:HOH1341 2.4 30.1 1.0 O A:HOH1274 2.5 34.2 1.0 O A:HOH1251 2.5 26.4 1.0 O A:HOH823 2.5 29.1 1.0 O A:HOH824 2.5 23.5 1.0 O A:HOH1324 2.6 40.1 1.0 O A:HOH1313 2.6 40.8 1.0 O A:HOH1219 4.3 23.5 1.0 CA A:GLY403 4.3 20.5 1.0 O A:HOH1018 4.5 28.5 1.0 O A:GLY403 4.7 22.9 1.0 OD1 A:ASP368 4.7 23.8 1.0 O A:PRO372 4.7 19.2 1.0 OD2 A:ASP368 4.8 32.4 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Pullulanase From Paenibacillus Barengoltzii Complex with Beta-Cyclodextrin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Pullulanase From Paenibacillus Barengoltzii Complex with Beta-Cyclodextrin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca730 b:14.1 occ:1.00 OE2 A:GLU224 2.3 16.0 1.0 O A:HOH1340 2.3 14.9 1.0 O A:TYR217 2.3 13.3 1.0 OD1 A:ASP216 2.3 16.7 1.0 OE1 A:GLU245 2.4 14.8 1.0 O A:HOH1107 2.5 24.9 1.0 O A:HOH894 2.5 22.4 1.0 CD A:GLU245 3.3 11.7 1.0 CD A:GLU224 3.4 19.6 1.0 OE2 A:GLU245 3.4 16.1 1.0 CG A:ASP216 3.5 13.8 1.0 C A:TYR217 3.5 12.4 1.0 N A:TYR217 3.7 12.3 1.0 CG A:GLU224 3.9 13.3 1.0 O A:HOH991 3.9 15.9 1.0 OD2 A:ASP216 4.1 17.9 1.0 CA A:TYR217 4.2 13.7 1.0 C A:ASP216 4.3 15.1 1.0 OE1 A:GLU224 4.4 16.0 1.0 N A:GLY246 4.4 13.5 1.0 O A:SER218 4.5 14.2 1.0 CA A:ASP216 4.5 10.7 1.0 C A:SER218 4.5 16.9 1.0 N A:SER218 4.6 13.9 1.0 CB A:ASP216 4.6 12.0 1.0 O A:VAL222 4.6 13.0 1.0 CG A:GLU245 4.7 12.6 1.0 CD1 A:TYR217 4.8 12.7 1.0 OD1 A:ASN125 4.8 15.4 1.0 CA A:SER218 4.9 16.7 1.0 N A:GLN219 4.9 16.8 1.0 CA A:GLU245 4.9 12.3 1.0 CG A:TYR217 4.9 15.0 1.0

S.W.Wu, S.Q.Yang, Z.Qin, X.You, P.Huang, Z.Q.Jiang. Crystal Structure of Pullulanase From Paenibacillus Barengoltzii Complex with Beta-Cyclodextrin To Be Published.