Calcium in PDB 2gvy: Monoclinic Crystal Form of Aspergillus Niger Alpha-Amylase in Complex with Maltose at 1.8 A Resolution

All present enzymatic activity of Monoclinic Crystal Form of Aspergillus Niger Alpha-Amylase in Complex with Maltose at 1.8 A Resolution:
3.2.1.1;

The structure of Monoclinic Crystal Form of Aspergillus Niger Alpha-Amylase in Complex with Maltose at 1.8 A Resolution, PDB code: 2gvy was solved by A.Vujicic-Zagar, B.W.Dijkstra, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	65.451, 101.149, 75.185, 90.00, 103.89, 90.00
R / Rfree (%)	16.2 / 21

The binding sites of Calcium atom in the Monoclinic Crystal Form of Aspergillus Niger Alpha-Amylase in Complex with Maltose at 1.8 A Resolution (pdb code 2gvy). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Monoclinic Crystal Form of Aspergillus Niger Alpha-Amylase in Complex with Maltose at 1.8 A Resolution, PDB code: 2gvy:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Monoclinic Crystal Form of Aspergillus Niger Alpha-Amylase in Complex with Maltose at 1.8 A Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Monoclinic Crystal Form of Aspergillus Niger Alpha-Amylase in Complex with Maltose at 1.8 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca801 b:21.2 occ:1.00 O A:HOH1211 2.3 21.5 1.0 O A:HIS210 2.4 21.3 1.0 OD1 A:ASN121 2.4 19.3 1.0 O A:HOH1083 2.4 23.9 1.0 OD2 A:ASP175 2.5 23.7 1.0 O A:GLU162 2.5 21.8 1.0 O A:HOH1013 2.6 20.0 1.0 OD1 A:ASP175 2.7 22.7 1.0 CG A:ASP175 2.9 21.6 1.0 C A:HIS210 3.5 20.1 1.0 CG A:ASN121 3.5 21.5 1.0 C A:GLU162 3.5 24.4 1.0 ND2 A:ASN121 4.1 21.5 1.0 CA A:GLU162 4.1 23.0 1.0 CB A:HIS210 4.3 21.7 1.0 O A:ASN121 4.4 20.1 1.0 N A:VAL211 4.4 20.1 1.0 CA A:HIS210 4.4 19.4 1.0 CB A:ASP175 4.4 21.7 1.0 CG2 A:VAL211 4.4 19.6 1.0 O A:LEU176 4.4 24.7 1.0 ND1 A:HIS147 4.5 25.5 1.0 CE1 A:HIS147 4.5 24.8 1.0 CA A:VAL211 4.5 19.8 1.0 O A:CYS164 4.6 25.0 1.0 N A:ASP163 4.6 23.0 1.0 CB A:ASN121 4.7 21.6 1.0 O A:VAL161 4.7 24.8 1.0 O A:HOH1212 4.7 26.5 1.0 CB A:GLU162 4.9 22.4 1.0 CA A:ASN121 4.9 21.0 1.0 CA A:ASP163 5.0 25.7 1.0

Calcium binding site 2 out of 2 in the Monoclinic Crystal Form of Aspergillus Niger Alpha-Amylase in Complex with Maltose at 1.8 A Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Monoclinic Crystal Form of Aspergillus Niger Alpha-Amylase in Complex with Maltose at 1.8 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca802 b:22.7 occ:1.00 OD1 B:ASN121 2.4 21.7 1.0 O B:HIS210 2.4 21.7 1.0 O B:GLU162 2.4 22.2 1.0 OD2 B:ASP175 2.5 21.2 1.0 O B:HOH1006 2.5 18.4 1.0 O B:HOH1252 2.5 22.6 1.0 OD1 B:ASP175 2.6 19.7 1.0 O B:HOH1023 2.6 23.2 1.0 CG B:ASP175 2.9 22.8 1.0 C B:GLU162 3.5 24.1 1.0 CG B:ASN121 3.5 23.0 1.0 C B:HIS210 3.5 22.5 1.0 ND2 B:ASN121 4.1 23.6 1.0 CA B:GLU162 4.1 22.5 1.0 CB B:HIS210 4.3 23.2 1.0 CB B:ASP175 4.4 23.9 1.0 ND1 B:HIS147 4.4 26.0 1.0 CE1 B:HIS147 4.4 26.3 1.0 N B:VAL211 4.4 21.8 1.0 O B:LEU176 4.4 24.4 1.0 CA B:HIS210 4.5 20.9 1.0 CA B:VAL211 4.5 22.0 1.0 CG2 B:VAL211 4.5 20.5 1.0 O B:ASN121 4.5 21.7 1.0 O B:CYS164 4.5 25.3 1.0 N B:ASP163 4.6 23.5 1.0 O B:VAL161 4.7 23.5 1.0 CB B:ASN121 4.7 22.1 1.0 O B:HOH1251 4.8 25.0 1.0 CA B:ASP163 4.9 25.9 1.0 CB B:GLU162 5.0 24.6 1.0

A.Vujicic-Zagar, B.W.Dijkstra. Monoclinic Crystal Form of Aspergillus Niger Alpha-Amylase in Complex with Maltose at 1.8 Angstroms Resolution. Acta Crystallogr.,Sect.F V. 62 716 2006.
ISSN: ESSN 1744-3091
PubMed: 16880540
DOI: 10.1107/S1744309106024729