Calcium in PDB 4aio: Crystal Structure of the Starch Debranching Enzyme Barley Limit Dextrinase

All present enzymatic activity of Crystal Structure of the Starch Debranching Enzyme Barley Limit Dextrinase:
3.2.1.41;

The structure of Crystal Structure of the Starch Debranching Enzyme Barley Limit Dextrinase, PDB code: 4aio was solved by M.S.Moeller, M.Abou Hachem, B.Svensson, A.Henriksen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.694 / 1.90
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	176.058, 82.072, 59.378, 90.00, 96.20, 90.00
R / Rfree (%)	18.678 / 22.476

The structure of Crystal Structure of the Starch Debranching Enzyme Barley Limit Dextrinase also contains other interesting chemical elements:

Iodine

(I)

4 atoms

The binding sites of Calcium atom in the Crystal Structure of the Starch Debranching Enzyme Barley Limit Dextrinase (pdb code 4aio). 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 the Starch Debranching Enzyme Barley Limit Dextrinase, PDB code: 4aio:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of the Starch Debranching Enzyme Barley Limit Dextrinase


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 the Starch Debranching Enzyme Barley Limit Dextrinase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1889 b:13.4 occ:1.00 O A:GLN348 2.3 17.6 1.0 O A:TYR353 2.3 11.8 1.0 OD1 A:ASP351 2.4 14.6 1.0 O A:HOH2136 2.4 14.8 1.0 OD1 A:ASN701 2.4 13.5 1.0 O A:HOH2119 2.5 12.9 1.0 O A:HOH2118 2.5 13.7 1.0 CG A:ASP351 3.4 15.6 1.0 C A:GLN348 3.4 18.6 1.0 C A:TYR353 3.5 12.0 1.0 CG A:ASN701 3.6 13.8 1.0 OD2 A:ASP351 3.8 16.2 1.0 CA A:GLN348 4.1 18.6 1.0 N A:TYR353 4.1 12.5 1.0 CA A:TYR353 4.2 12.5 1.0 O A:HOH2139 4.3 26.4 1.0 ND2 A:ASN701 4.3 13.8 1.0 O A:GLY314 4.3 13.6 1.0 CB A:TYR353 4.4 13.1 1.0 O A:ASP351 4.5 14.2 1.0 CB A:GLN348 4.5 18.1 1.0 N A:GLU349 4.5 19.1 1.0 N A:ASN354 4.5 11.4 1.0 ND2 A:ASN354 4.6 12.6 1.0 O A:ASN701 4.6 14.5 1.0 N A:ASP351 4.7 16.7 1.0 CA A:ASN701 4.7 13.5 1.0 CB A:ASP351 4.7 15.2 1.0 CB A:ASN354 4.7 11.8 1.0 CA A:GLU349 4.7 20.8 1.0 CB A:ASN701 4.7 13.3 1.0 C A:ASP351 4.8 14.7 1.0 CA A:ASN354 4.8 11.5 1.0 CA A:ASP351 4.9 15.4 1.0 C A:GLU349 4.9 20.3 1.0 C A:ASN701 5.0 13.9 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of the Starch Debranching Enzyme Barley Limit Dextrinase


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 the Starch Debranching Enzyme Barley Limit Dextrinase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1890 b:27.2 occ:1.00 O A:LEU301 2.3 12.5 1.0 O A:HOH2110 2.4 20.5 1.0 OG A:SER297 2.4 12.6 1.0 O A:GLY393 2.6 12.3 1.0 O A:SER297 2.6 13.2 1.0 C A:SER297 3.3 14.1 1.0 CA A:SER297 3.4 13.8 1.0 CB A:SER297 3.4 13.1 1.0 C A:GLY393 3.5 12.9 1.0 C A:LEU301 3.5 12.3 1.0 CA A:GLY393 4.0 13.1 1.0 CD2 A:LEU394 4.2 12.3 1.0 N A:LEU301 4.3 13.1 1.0 O A:HOH2112 4.3 13.1 1.0 C A:GLY300 4.3 13.6 1.0 CA A:THR302 4.3 10.9 1.0 N A:THR302 4.4 11.1 1.0 N A:ASP298 4.5 15.5 1.0 CA A:LEU301 4.5 12.6 1.0 O A:GLY300 4.5 13.0 1.0 N A:LEU394 4.6 12.7 1.0 O A:ILE392 4.6 13.3 1.0 O A:HOH2111 4.6 19.3 1.0 CG A:LEU394 4.7 12.4 1.0 N A:SER297 4.8 12.8 1.0 CA A:GLY300 4.8 13.7 1.0 CA A:LEU394 4.9 12.7 1.0

M.S.Moeller, M.Abou Hachem, B.Svensson, A.Henriksen. Structure of the Starch-Debranching Enzyme Barley Limit Dextrinase Reveals Homology of the N-Terminal Domain to CBM21. Acta Crystallogr.,Sect.F V. 68 1008 2012.
ISSN: ISSN 1744-3091
PubMed: 22949184
DOI: 10.1107/S1744309112031004