Calcium in PDB 4cvw: Structure of the Barley Limit Dextrinase-Limit Dextrinase Inhibitor Complex

All present enzymatic activity of Structure of the Barley Limit Dextrinase-Limit Dextrinase Inhibitor Complex:
3.2.1.41;

The structure of Structure of the Barley Limit Dextrinase-Limit Dextrinase Inhibitor Complex, PDB code: 4cvw was solved by M.S.Moeller, M.B.Vester-Christensen, J.M.Jensen, M.Abou Hachem, A.Henriksen, B.Svensson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	157.76 / 2.67
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	166.979, 168.606, 157.708, 90.00, 90.00, 90.00
R / Rfree (%)	25.5 / 29.3

The binding sites of Calcium atom in the Structure of the Barley Limit Dextrinase-Limit Dextrinase Inhibitor Complex (pdb code 4cvw). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Structure of the Barley Limit Dextrinase-Limit Dextrinase Inhibitor Complex, PDB code: 4cvw:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Structure of the Barley Limit Dextrinase-Limit Dextrinase Inhibitor Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of the Barley Limit Dextrinase-Limit Dextrinase Inhibitor Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1885 b:15.5 occ:1.00 O A:GLN348 2.4 22.6 1.0 OD1 A:ASP351 2.4 21.5 1.0 OD1 A:ASN701 2.4 20.9 1.0 O A:TYR353 2.5 19.3 1.0 CG A:ASP351 3.3 21.4 1.0 C A:GLN348 3.6 22.6 1.0 CG A:ASN701 3.6 20.4 1.0 OD2 A:ASP351 3.6 21.9 1.0 C A:TYR353 3.7 19.4 1.0 ND2 A:ASN701 4.2 20.5 1.0 O A:GLY314 4.3 15.0 1.0 ND2 A:ASN354 4.3 18.9 1.0 CA A:GLN348 4.4 22.7 1.0 N A:TYR353 4.5 19.9 1.0 CA A:TYR353 4.5 19.6 1.0 N A:GLU349 4.6 22.6 1.0 CB A:ASN354 4.6 18.9 1.0 CB A:ASP351 4.6 21.3 1.0 N A:ASN354 4.7 19.2 1.0 CA A:GLU349 4.7 22.6 1.0 CB A:ASN701 4.7 20.5 1.0 O A:ASP351 4.8 21.1 1.0 CB A:GLN348 4.8 22.6 1.0 CA A:ASN701 4.8 20.5 1.0 N A:ASP351 4.8 21.6 1.0 CA A:ASN354 4.9 19.0 1.0 C A:GLU349 4.9 22.5 1.0 O A:ASN701 5.0 20.5 1.0 CB A:TYR353 5.0 19.6 1.0 CG A:ASN354 5.0 19.0 1.0

Calcium binding site 2 out of 4 in the Structure of the Barley Limit Dextrinase-Limit Dextrinase Inhibitor Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of the Barley Limit Dextrinase-Limit Dextrinase Inhibitor Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1886 b:17.8 occ:1.00 O A:LEU301 2.5 15.6 1.0 O A:GLY393 2.8 15.4 1.0 O A:SER297 2.9 18.0 1.0 OG A:SER297 2.9 18.0 1.0 O A:HOH2057 3.2 3.7 1.0 C A:SER297 3.7 18.0 1.0 C A:LEU301 3.7 15.6 1.0 C A:GLY393 3.8 15.3 1.0 CA A:SER297 3.9 18.1 1.0 CB A:SER297 3.9 18.1 1.0 CA A:GLY393 4.4 15.2 1.0 CA A:THR302 4.4 15.3 1.0 N A:THR302 4.5 15.4 1.0 N A:LEU301 4.5 16.0 1.0 C A:GLY300 4.5 16.3 1.0 CD2 A:LEU394 4.6 15.6 1.0 O A:HOH2019 4.7 3.7 1.0 O A:GLY300 4.7 16.3 1.0 CA A:LEU301 4.7 15.8 1.0 CG2 A:THR302 4.7 15.2 1.0 N A:ASP298 4.8 18.0 1.0 N A:LEU394 5.0 15.4 1.0

Calcium binding site 3 out of 4 in the Structure of the Barley Limit Dextrinase-Limit Dextrinase Inhibitor Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Structure of the Barley Limit Dextrinase-Limit Dextrinase Inhibitor Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1886 b:14.6 occ:1.00 O B:TYR353 2.3 17.9 1.0 OD1 B:ASN701 2.3 19.1 1.0 OD1 B:ASP351 2.3 20.3 1.0 O B:GLN348 2.4 22.4 1.0 CG B:ASP351 3.4 20.1 1.0 C B:TYR353 3.4 17.9 1.0 CG B:ASN701 3.5 19.2 1.0 C B:GLN348 3.5 22.4 1.0 O B:ASP351 3.8 19.9 1.0 OD2 B:ASP351 3.9 20.1 1.0 ND2 B:ASN701 4.1 19.3 1.0 N B:TYR353 4.1 18.4 1.0 CA B:TYR353 4.2 18.1 1.0 CA B:GLN348 4.2 22.6 1.0 O B:GLY314 4.4 17.4 1.0 O B:ASN701 4.5 19.2 1.0 CB B:TYR353 4.5 18.0 1.0 C B:ASP351 4.5 19.8 1.0 N B:ASN354 4.5 17.6 1.0 N B:GLU349 4.6 22.3 1.0 CA B:ASN701 4.6 19.2 1.0 CB B:ASN354 4.6 17.4 1.0 CB B:ASN701 4.6 19.2 1.0 ND2 B:ASN354 4.7 17.3 1.0 N B:ASP351 4.7 20.5 1.0 CB B:ASP351 4.7 20.1 1.0 CB B:GLN348 4.7 22.6 1.0 CA B:GLU349 4.8 22.1 1.0 CA B:ASN354 4.8 17.4 1.0 C B:ASN701 4.9 19.2 1.0 CA B:ASP351 4.9 20.1 1.0

Calcium binding site 4 out of 4 in the Structure of the Barley Limit Dextrinase-Limit Dextrinase Inhibitor Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Structure of the Barley Limit Dextrinase-Limit Dextrinase Inhibitor Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1887 b:14.6 occ:1.00 O B:GLY393 2.7 15.5 1.0 O B:LEU301 2.8 15.8 1.0 O B:SER297 2.8 19.1 1.0 OG B:SER297 2.9 18.9 1.0 C B:SER297 3.6 19.0 1.0 C B:GLY393 3.7 15.6 1.0 C B:LEU301 3.9 15.9 1.0 CA B:SER297 3.9 19.2 1.0 CB B:SER297 3.9 19.2 1.0 CA B:GLY393 4.2 15.4 1.0 CA B:THR302 4.5 15.3 1.0 C B:GLY300 4.6 16.8 1.0 O B:GLY300 4.6 16.8 1.0 N B:THR302 4.6 15.6 1.0 N B:LEU301 4.7 16.4 1.0 N B:ASP298 4.8 18.8 1.0 N B:LEU394 4.8 15.8 1.0 O B:ILE392 4.8 14.8 1.0 CD2 B:LEU394 4.9 16.2 1.0 CA B:LEU301 4.9 16.1 1.0

M.S.Moller, M.B.Vester-Christensen, J.M.Jensen, M.Abou Hachem, A.Henriksen, B.Svensson. Crystal Structure of Barley Limit Dextrinase:Limit Dextrinase Inhibitor (Ld:Ldi) Complex Reveals Insights Into Mechanism and Diversity of Cereal-Type Inhibitors. J.Biol.Chem. 2015.
ISSN: ESSN 1083-351X
PubMed: 25792743
DOI: 10.1074/JBC.M115.642777