Calcium in PDB 7a1a: 2,3-Dihydroxybenzoate Decarboxylase of Aspergillus Oryzae

The structure of 2,3-Dihydroxybenzoate Decarboxylase of Aspergillus Oryzae, PDB code: 7a1a was solved by G.Hofer, W.Keller, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.95 / 1.53
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	99.894, 99.894, 129.168, 90.00, 90.00, 90.00
R / Rfree (%)	19.2 / 22.5

The structure of 2,3-Dihydroxybenzoate Decarboxylase of Aspergillus Oryzae also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Calcium atom in the 2,3-Dihydroxybenzoate Decarboxylase of Aspergillus Oryzae (pdb code 7a1a). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the 2,3-Dihydroxybenzoate Decarboxylase of Aspergillus Oryzae, PDB code: 7a1a:

Calcium binding site 1 out of 1 in the 2,3-Dihydroxybenzoate Decarboxylase of Aspergillus Oryzae


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of 2,3-Dihydroxybenzoate Decarboxylase of Aspergillus Oryzae within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca402 b:25.5 occ:1.00 O B:HOH757 2.3 33.3 1.0 O B:HOH763 2.4 24.7 1.0 OE2 B:GLU17 2.4 23.1 1.0 OE1 B:GLU17 2.4 24.6 1.0 O B:HOH766 2.5 27.9 1.0 O B:HOH746 2.6 26.5 1.0 CD B:GLU17 2.8 22.1 1.0 HH21 B:ARG21 3.6 26.2 1.0 O B:HOH771 4.0 35.0 1.0 CG B:GLU17 4.3 23.9 1.0 HE B:ARG21 4.4 25.2 1.0 O B:HOH768 4.4 21.6 1.0 NH2 B:ARG21 4.4 21.8 1.0 O B:HOH801 4.5 25.8 1.0 HG3 B:GLU17 4.6 28.7 1.0 O B:HOH789 4.6 31.0 1.0 O B:HOH824 4.7 32.3 1.0 HG2 B:GLU17 4.7 28.7 1.0 HH22 B:ARG21 4.9 26.2 1.0 HG11 B:VAL35 4.9 25.9 1.0 O B:HOH767 4.9 26.6 1.0 HB2 B:GLU17 5.0 25.5 1.0

G.Hofer, X.Sheng, S.Braeuer, S.E.Payer, K.Plasch, W.Goessler, K.Faber, W.Keller, F.Himo, S.M.Glueck. Metal Ion Promiscuity and Structure of 2,3-Dihydroxybenzoic Acid Decarboxylase of Aspergillus Oryzae. Chembiochem 2020.
ISSN: ESSN 1439-7633
PubMed: 33090643
DOI: 10.1002/CBIC.202000600