Calcium in PDB 6jhh: Crystal Structure of Mutant D350A of Pullulanase From Paenibacillus Barengoltzii Complexed with Maltotriose

All present enzymatic activity of Crystal Structure of Mutant D350A of Pullulanase From Paenibacillus Barengoltzii Complexed with Maltotriose:
3.2.1.41;

The structure of Crystal Structure of Mutant D350A of Pullulanase From Paenibacillus Barengoltzii Complexed with Maltotriose, PDB code: 6jhh 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)	46.80 / 2.03
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	72.822, 78.803, 116.348, 90.00, 90.00, 90.00
R / Rfree (%)	16.7 / 23.3

The binding sites of Calcium atom in the Crystal Structure of Mutant D350A of Pullulanase From Paenibacillus Barengoltzii Complexed with Maltotriose (pdb code 6jhh). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Crystal Structure of Mutant D350A of Pullulanase From Paenibacillus Barengoltzii Complexed with Maltotriose, PDB code: 6jhh:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Crystal Structure of Mutant D350A of Pullulanase From Paenibacillus Barengoltzii Complexed with Maltotriose


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 Mutant D350A of Pullulanase From Paenibacillus Barengoltzii Complexed with Maltotriose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca710 b:19.9 occ:1.00 O A:HOH1150 2.3 29.7 1.0 OE2 A:GLU224 2.3 17.8 1.0 OD1 A:ASP216 2.3 17.4 1.0 O A:HOH873 2.4 18.9 1.0 O A:TYR217 2.4 18.8 1.0 OE1 A:GLU245 2.5 16.3 1.0 CD A:GLU245 3.3 18.9 1.0 CD A:GLU224 3.4 23.8 1.0 CG A:ASP216 3.5 20.8 1.0 C A:TYR217 3.5 20.1 1.0 OE2 A:GLU245 3.5 23.6 1.0 N A:TYR217 3.7 16.4 1.0 O A:HOH956 3.9 24.0 1.0 CG A:GLU224 4.0 24.6 1.0 OD2 A:ASP216 4.1 23.0 1.0 C A:ASP216 4.2 18.9 1.0 CA A:TYR217 4.2 16.4 1.0 N A:GLY246 4.3 17.9 1.0 OE1 A:GLU224 4.4 23.3 1.0 CA A:ASP216 4.4 16.6 1.0 O A:SER218 4.5 22.9 1.0 C A:SER218 4.5 27.4 1.0 N A:SER218 4.6 23.2 1.0 CB A:ASP216 4.6 19.3 1.0 OE1 A:GLN239 4.7 45.8 1.0 O A:VAL222 4.7 23.4 1.0 CG A:GLU245 4.7 14.4 1.0 CA A:GLU245 4.8 15.4 1.0 CD1 A:TYR217 4.8 14.8 1.0 CA A:SER218 4.8 23.0 1.0 N A:GLN219 4.9 25.7 1.0 OD1 A:ASN125 4.9 27.9 1.0 CG A:TYR217 4.9 19.5 1.0 CB A:GLU245 5.0 19.0 1.0

Calcium binding site 2 out of 3 in the Crystal Structure of Mutant D350A of Pullulanase From Paenibacillus Barengoltzii Complexed with Maltotriose


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 Mutant D350A of Pullulanase From Paenibacillus Barengoltzii Complexed with Maltotriose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca711 b:41.9 occ:1.00 O A:HOH865 2.5 27.1 1.0 O A:HOH901 2.5 27.1 1.0 O A:HOH1247 2.7 33.0 1.0 O A:HOH817 2.7 21.1 1.0 O A:HOH1220 2.7 28.2 1.0 O A:HOH1333 2.8 39.1 1.0 CA A:GLY403 4.4 16.9 1.0 O A:HOH862 4.4 24.4 1.0 O A:HOH1146 4.4 18.8 1.0 OD2 A:ASP368 4.5 27.3 1.0 OD1 A:ASP368 4.6 19.6 1.0 NE A:ARG364 4.7 17.8 0.1 O A:HOH1244 4.7 35.8 1.0 O A:PRO372 4.8 20.3 1.0 O A:GLY403 4.8 23.0 1.0 CZ A:ARG364 4.9 19.0 0.1 CG A:ASP368 5.0 30.5 1.0

Calcium binding site 3 out of 3 in the Crystal Structure of Mutant D350A of Pullulanase From Paenibacillus Barengoltzii Complexed with Maltotriose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of Mutant D350A of Pullulanase From Paenibacillus Barengoltzii Complexed with Maltotriose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca712 b:63.5 occ:1.00 O A:HOH1300 2.4 50.8 1.0 O A:HOH1194 2.5 36.4 1.0 O A:HOH1067 2.6 36.9 1.0 OE1 A:GLU479 2.7 38.1 1.0 O A:HOH1217 2.8 36.0 1.0 OE2 A:GLU479 3.0 37.7 1.0 CD A:GLU479 3.1 48.6 1.0 O A:HOH1186 3.7 41.3 1.0 CG A:GLU479 4.6 35.9 1.0 OG1 A:THR519 4.6 17.5 1.0 O A:HOH1246 4.9 38.4 1.0 O A:HOH912 4.9 21.6 1.0 CA A:GLY521 4.9 29.5 1.0

S.W.Wu, S.Q.Yang, Z.Qin, X.You, P.Huang, Z.Q.Jiang. Crystal Structure of Mutant D350A of Pullulanase From Paenibacillus Barengoltzii Complexed with Maltotriose To Be Published.