Calcium in PDB 6xsj: X-Ray Structure of A Monoclinic Form of Alpha Amylase From Aspergillus at 1.4 A Resolution

All present enzymatic activity of X-Ray Structure of A Monoclinic Form of Alpha Amylase From Aspergillus at 1.4 A Resolution:
3.2.1.1;

The structure of X-Ray Structure of A Monoclinic Form of Alpha Amylase From Aspergillus at 1.4 A Resolution, PDB code: 6xsj was solved by A.Mcpherson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	72.91 / 1.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	64.983, 95.189, 74.988, 90.00, 103.51, 90.00
R / Rfree (%)	20.2 / 23.7

The binding sites of Calcium atom in the X-Ray Structure of A Monoclinic Form of Alpha Amylase From Aspergillus at 1.4 A Resolution (pdb code 6xsj). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the X-Ray Structure of A Monoclinic Form of Alpha Amylase From Aspergillus at 1.4 A Resolution, PDB code: 6xsj:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the X-Ray Structure of A Monoclinic Form of Alpha Amylase From Aspergillus at 1.4 A Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of X-Ray Structure of A Monoclinic Form of Alpha Amylase From Aspergillus at 1.4 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca601 b:12.9 occ:0.00 OD2 A:ASP175 2.3 12.8 1.0 OD1 A:ASN121 2.3 11.8 1.0 O A:HIS210 2.4 10.2 1.0 O A:GLU162 2.4 12.7 1.0 O A:HOH869 2.4 12.2 1.0 OD1 A:ASP175 2.5 13.0 1.0 O A:HOH833 2.5 11.4 1.0 O A:HOH883 2.5 12.6 1.0 CG A:ASP175 2.7 12.8 1.0 CG A:ASN121 3.4 12.5 1.0 HB3 A:HIS210 3.5 14.4 1.0 C A:GLU162 3.5 13.1 1.0 C A:HIS210 3.6 10.9 1.0 HA A:GLU162 3.6 14.1 1.0 HD21 A:ASN121 3.7 15.0 1.0 HD1 A:HIS147 3.7 16.0 1.0 HG22 A:VAL211 3.8 17.9 1.0 HA A:VAL211 3.9 20.3 1.0 HE1 A:HIS147 4.0 20.8 1.0 ND2 A:ASN121 4.0 12.5 1.0 CA A:GLU162 4.1 11.8 1.0 CB A:HIS210 4.3 12.0 1.0 CB A:ASP175 4.3 14.2 1.0 ND1 A:HIS147 4.4 13.3 1.0 HA A:ASP163 4.4 16.1 1.0 O A:CYS164 4.4 13.0 1.0 CA A:HIS210 4.4 12.1 1.0 O A:LEU176 4.4 13.6 1.0 N A:VAL211 4.5 12.6 1.0 HG23 A:VAL211 4.5 17.9 1.0 O A:ASN121 4.5 12.7 1.0 HA A:ASN121 4.5 13.4 1.0 CE1 A:HIS147 4.5 17.3 1.0 HB2 A:HIS210 4.5 14.4 1.0 N A:ASP163 4.5 13.2 1.0 CG2 A:VAL211 4.6 14.9 1.0 CA A:VAL211 4.6 16.9 1.0 HA A:HIS210 4.6 14.5 1.0 HB3 A:ASP175 4.6 17.1 1.0 O A:VAL161 4.6 13.9 1.0 CB A:ASN121 4.7 14.3 1.0 HB3 A:GLU162 4.7 19.0 1.0 HB2 A:ASP175 4.7 17.1 1.0 HA A:ASP175 4.8 15.7 1.0 HD22 A:ASN121 4.8 15.0 1.0 CA A:ASP163 4.8 13.4 1.0 HB2 A:ASN121 4.8 17.2 1.0 CA A:ASN121 5.0 11.1 1.0 O A:HOH1035 5.0 18.9 1.0

Calcium binding site 2 out of 2 in the X-Ray Structure of A Monoclinic Form of Alpha Amylase From Aspergillus at 1.4 A Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of X-Ray Structure of A Monoclinic Form of Alpha Amylase From Aspergillus at 1.4 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca601 b:13.2 occ:0.00 O B:HOH836 2.4 11.1 1.0 O B:GLU162 2.4 14.2 1.0 OD1 B:ASN121 2.4 10.7 1.0 O B:HIS210 2.4 12.3 1.0 OD2 B:ASP175 2.4 14.9 1.0 O B:HOH788 2.4 12.2 1.0 O B:HOH909 2.4 12.8 1.0 OD1 B:ASP175 2.5 10.4 1.0 CG B:ASP175 2.8 11.5 1.0 C B:GLU162 3.5 17.1 1.0 CG B:ASN121 3.5 12.9 1.0 HB3 B:HIS210 3.5 16.3 1.0 HA B:GLU162 3.5 16.1 1.0 C B:HIS210 3.6 11.1 1.0 HD1 B:HIS147 3.7 17.6 1.0 HD21 B:ASN121 3.7 14.1 1.0 HE1 B:HIS147 3.8 19.8 1.0 HG22 B:VAL211 3.8 15.4 1.0 HA B:VAL211 3.9 15.6 1.0 ND2 B:ASN121 4.0 11.7 1.0 CA B:GLU162 4.1 13.4 1.0 ND1 B:HIS147 4.3 14.6 1.0 CB B:ASP175 4.3 14.6 1.0 HG23 B:VAL211 4.3 15.4 1.0 CB B:HIS210 4.3 13.6 1.0 CE1 B:HIS147 4.3 16.4 1.0 HA B:ASP163 4.3 23.2 1.0 O B:LEU176 4.4 12.4 1.0 O B:CYS164 4.4 13.7 1.0 O B:ASN121 4.5 13.0 1.0 HA B:ASN121 4.5 10.0 1.0 CA B:HIS210 4.5 12.3 1.0 N B:VAL211 4.5 12.4 1.0 CG2 B:VAL211 4.5 12.8 1.0 N B:ASP163 4.5 13.5 1.0 HB2 B:HIS210 4.6 16.3 1.0 CA B:VAL211 4.6 13.0 1.0 O B:VAL161 4.6 13.4 1.0 HB3 B:GLU162 4.6 15.7 1.0 HA B:HIS210 4.6 14.8 1.0 HB3 B:ASP175 4.7 17.6 1.0 CB B:ASN121 4.7 13.3 1.0 HB2 B:ASP175 4.7 17.6 1.0 HA B:ASP175 4.8 16.0 1.0 CA B:ASP163 4.9 19.3 1.0 HD22 B:ASN121 4.9 14.1 1.0 HB2 B:ASN121 4.9 16.0 1.0 O B:HOH927 4.9 19.6 1.0 CB B:GLU162 5.0 13.1 1.0 CA B:ASN121 5.0 8.3 1.0

A.Mcpherson, J.Holton, C.Gee. The Structures of Two Novel Crystal Forms of Aspergillus Oryzae Alpha Amylase (Taka-Amylase) To Be Published.