Calcium in PDB 6kzk: Structure of Alginate Lyase ALY36B Mutant K143A/M171A in Complex with Alginate Trisaccharide

The structure of Structure of Alginate Lyase ALY36B Mutant K143A/M171A in Complex with Alginate Trisaccharide, PDB code: 6kzk was solved by Y.Z.Zhang, F.Dong, X.L.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.84 / 2.79
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	105.770, 188.316, 91.106, 90.00, 90.00, 90.00
R / Rfree (%)	19.5 / 27.3

The binding sites of Calcium atom in the Structure of Alginate Lyase ALY36B Mutant K143A/M171A in Complex with Alginate Trisaccharide (pdb code 6kzk). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Structure of Alginate Lyase ALY36B Mutant K143A/M171A in Complex with Alginate Trisaccharide, PDB code: 6kzk:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Structure of Alginate Lyase ALY36B Mutant K143A/M171A in Complex with Alginate Trisaccharide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of Alginate Lyase ALY36B Mutant K143A/M171A in Complex with Alginate Trisaccharide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca304 b:35.1 occ:1.00 O A:ASN27 2.3 29.6 1.0 OD1 A:ASP251 2.4 27.5 1.0 O A:HOH401 2.4 40.4 1.0 ND2 A:ASN29 2.5 25.7 1.0 O A:GLY61 2.6 28.3 1.0 OD2 A:ASP251 2.7 29.3 1.0 O A:HOH438 2.8 38.7 1.0 CG A:ASP251 2.9 28.0 1.0 C A:ASN27 3.5 28.8 1.0 CG A:ASN29 3.5 26.0 1.0 OD1 A:ASN29 3.7 34.1 1.0 C A:GLY61 3.8 29.8 1.0 CB A:ASN27 3.9 23.5 1.0 OD1 A:ASN252 4.0 24.5 1.0 CA A:ASN27 4.0 25.9 1.0 CB A:ASP251 4.3 21.1 1.0 N A:ASN29 4.4 24.6 1.0 CA A:GLY61 4.5 24.4 1.0 N A:TRP28 4.6 28.9 1.0 CG A:ASN252 4.7 22.4 1.0 CB A:ASN29 4.7 27.9 1.0 C A:TRP28 4.8 35.6 1.0 CG A:ASN27 4.8 28.0 1.0 N A:THR62 4.8 30.0 1.0 CA A:ASN29 4.8 26.1 1.0 CG2 A:THR62 4.9 28.4 1.0 ND2 A:ASN252 4.9 20.0 1.0 CB A:TRP28 4.9 24.6 1.0 CA A:TRP28 5.0 28.8 1.0

Calcium binding site 2 out of 3 in the Structure of Alginate Lyase ALY36B Mutant K143A/M171A in Complex with Alginate Trisaccharide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of Alginate Lyase ALY36B Mutant K143A/M171A in Complex with Alginate Trisaccharide within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca304 b:31.8 occ:1.00 O B:GLY61 2.3 33.3 1.0 O B:ASN27 2.5 25.3 1.0 OD1 B:ASN29 2.5 26.5 1.0 O B:HOH452 2.7 50.1 1.0 OD2 B:ASP251 2.8 30.7 1.0 OD1 B:ASP251 2.8 20.7 1.0 O B:HOH412 2.8 25.5 1.0 CG B:ASP251 3.1 25.7 1.0 C B:GLY61 3.5 38.4 1.0 C B:ASN27 3.6 28.2 1.0 CG B:ASN29 3.7 19.4 1.0 OD1 B:ASN252 4.0 26.6 1.0 CA B:GLY61 4.1 35.2 1.0 ND2 B:ASN29 4.3 26.1 1.0 CB B:ASN27 4.3 21.8 1.0 CA B:ASN27 4.3 25.8 1.0 N B:ASN29 4.5 25.3 1.0 C B:TRP28 4.6 26.0 1.0 N B:THR62 4.6 27.6 1.0 CB B:ASP251 4.6 27.2 1.0 CG2 B:THR62 4.6 18.9 1.0 N B:TRP28 4.7 25.6 1.0 CA B:ASN29 4.8 33.4 1.0 CA B:THR62 4.8 30.8 1.0 CB B:ASN29 4.8 26.0 1.0 O B:TRP28 4.9 26.0 1.0 CB B:TRP28 4.9 22.0 1.0 CA B:TRP28 4.9 27.2 1.0 CG B:ASN252 5.0 29.5 1.0

Calcium binding site 3 out of 3 in the Structure of Alginate Lyase ALY36B Mutant K143A/M171A in Complex with Alginate Trisaccharide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Structure of Alginate Lyase ALY36B Mutant K143A/M171A in Complex with Alginate Trisaccharide within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca304 b:31.8 occ:1.00 OD1 C:ASN29 1.8 31.6 1.0 O C:HOH415 2.3 24.4 1.0 O C:ASN27 2.3 22.4 1.0 O C:GLY61 2.5 28.5 1.0 OD1 C:ASP251 2.7 34.3 1.0 CG C:ASN29 2.9 24.8 1.0 OD2 C:ASP251 3.1 36.9 1.0 O C:HOH401 3.2 34.6 1.0 CG C:ASP251 3.2 32.7 1.0 ND2 C:ASN29 3.5 21.1 1.0 C C:ASN27 3.5 27.5 1.0 C C:GLY61 3.7 31.4 1.0 CB C:ASN27 4.0 22.4 1.0 N C:ASN29 4.0 32.7 1.0 CB C:ASN29 4.1 24.1 1.0 CA C:ASN27 4.1 27.7 1.0 ND2 C:ASN252 4.2 28.7 1.0 CA C:ASN29 4.4 25.8 1.0 CA C:GLY61 4.5 32.7 1.0 CG C:ASN27 4.6 22.6 1.0 N C:TRP28 4.6 18.4 1.0 N C:THR62 4.7 34.3 1.0 C C:TRP28 4.7 25.5 1.0 CB C:ASP251 4.7 26.0 1.0 ND2 C:ASN27 4.7 33.7 1.0 CA C:THR62 4.8 27.5 1.0 CG2 C:THR62 4.8 29.1 1.0 CA C:TRP28 5.0 18.7 1.0

F.Dong, X.L.Chen, Y.Z.Zhang. Structure of Alginate Lyase ALY36B Mutant K143A/M171A in Complex with Alginate Trisaccharide To Be Published.