Calcium in PDB 6kcv: Structure of Alginate Lyase ALY36B Mutant K143A/Y185A in Complex with Alginate Tetrasaccharide

The structure of Structure of Alginate Lyase ALY36B Mutant K143A/Y185A in Complex with Alginate Tetrasaccharide, PDB code: 6kcv was solved by F.Dong, Y.Z.Zhang, X.L.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.34 / 2.28
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	105.580, 187.526, 91.691, 90.00, 90.00, 90.00
R / Rfree (%)	16 / 20.5

The binding sites of Calcium atom in the Structure of Alginate Lyase ALY36B Mutant K143A/Y185A in Complex with Alginate Tetrasaccharide (pdb code 6kcv). 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/Y185A in Complex with Alginate Tetrasaccharide, PDB code: 6kcv:
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/Y185A in Complex with Alginate Tetrasaccharide


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/Y185A in Complex with Alginate Tetrasaccharide within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca305 b:31.1 occ:1.00 O B:GLY61 2.3 30.1 1.0 O B:ASN27 2.3 30.9 1.0 O B:HOH431 2.5 26.5 1.0 O B:HOH584 2.5 30.3 1.0 OD2 B:ASP251 2.5 28.0 1.0 OD1 B:ASN29 2.5 37.1 1.0 OD1 B:ASP251 2.6 26.8 1.0 CG B:ASP251 2.9 29.6 1.0 C B:GLY61 3.4 35.9 1.0 CG B:ASN29 3.5 31.8 1.0 C B:ASN27 3.5 27.7 1.0 ND2 B:ASN29 4.0 27.7 1.0 CB B:ASN27 4.1 29.1 1.0 CA B:GLY61 4.1 30.6 1.0 CA B:ASN27 4.1 30.0 1.0 CB B:ASP251 4.4 25.2 1.0 OD1 B:ASN252 4.4 24.2 1.0 N B:ASN29 4.5 32.2 1.0 N B:THR62 4.5 27.0 1.0 O B:HOH482 4.5 39.4 1.0 N B:TRP28 4.6 26.3 1.0 C B:TRP28 4.6 30.4 1.0 CB B:ASN29 4.7 33.6 1.0 CA B:ASN29 4.7 36.1 1.0 O B:HOH435 4.7 37.1 1.0 O B:HOH488 4.7 35.3 1.0 CA B:THR62 4.8 26.9 1.0 CG B:ASN27 4.8 34.7 1.0 CB B:TRP28 4.9 27.7 1.0 OG1 B:THR62 4.9 32.0 1.0 CA B:TRP28 4.9 28.1 1.0 OD1 B:ASN27 4.9 33.8 1.0

Calcium binding site 2 out of 3 in the Structure of Alginate Lyase ALY36B Mutant K143A/Y185A in Complex with Alginate Tetrasaccharide


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/Y185A in Complex with Alginate Tetrasaccharide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca305 b:35.1 occ:1.00 O A:ASN27 2.3 27.8 1.0 OD1 A:ASN29 2.3 31.2 1.0 O A:GLY61 2.4 36.9 1.0 O A:HOH418 2.4 29.4 1.0 OD1 A:ASP251 2.5 30.0 1.0 OD2 A:ASP251 2.6 33.9 1.0 O A:HOH541 2.6 35.8 1.0 CG A:ASP251 2.9 34.3 1.0 CG A:ASN29 3.2 35.2 1.0 C A:ASN27 3.4 28.4 1.0 C A:GLY61 3.6 38.6 1.0 ND2 A:ASN29 3.7 36.7 1.0 CB A:ASN27 3.8 27.6 1.0 CA A:ASN27 4.0 29.5 1.0 N A:ASN29 4.2 34.8 1.0 OD1 A:ASN252 4.3 28.1 1.0 CA A:GLY61 4.3 33.8 1.0 CB A:ASP251 4.4 29.1 1.0 CG A:ASN27 4.4 32.7 1.0 CB A:ASN29 4.4 32.5 1.0 CA A:ASN29 4.5 32.7 1.0 N A:TRP28 4.5 25.5 1.0 C A:TRP28 4.6 33.2 1.0 OD1 A:ASN27 4.6 28.1 1.0 N A:THR62 4.6 33.8 1.0 O A:HOH403 4.7 38.3 1.0 OG1 A:THR62 4.8 45.5 1.0 CA A:THR62 4.8 35.7 1.0 CA A:TRP28 4.9 26.9 1.0 CB A:TRP28 4.9 25.9 1.0 N A:ASN252 5.0 24.3 1.0

Calcium binding site 3 out of 3 in the Structure of Alginate Lyase ALY36B Mutant K143A/Y185A in Complex with Alginate Tetrasaccharide


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/Y185A in Complex with Alginate Tetrasaccharide within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca305 b:35.2 occ:1.00 O C:GLY61 2.4 31.9 1.0 O C:HOH414 2.4 29.3 1.0 O C:ASN27 2.4 39.4 1.0 OD1 C:ASN29 2.5 36.0 1.0 O C:HOH519 2.5 35.6 1.0 OD2 C:ASP251 2.5 30.8 1.0 OD1 C:ASP251 2.6 34.0 1.0 CG C:ASP251 2.9 30.8 1.0 C C:GLY61 3.5 29.6 1.0 CG C:ASN29 3.5 36.5 1.0 C C:ASN27 3.6 35.8 1.0 CB C:ASN27 4.0 35.0 1.0 ND2 C:ASN29 4.1 35.9 1.0 CA C:ASN27 4.2 36.4 1.0 CA C:GLY61 4.2 30.2 1.0 OD1 C:ASN252 4.3 29.7 1.0 N C:ASN29 4.3 36.1 1.0 CB C:ASP251 4.4 27.6 1.0 N C:THR62 4.5 28.1 1.0 C C:TRP28 4.6 36.5 1.0 CA C:ASN29 4.6 41.5 1.0 N C:TRP28 4.7 35.3 1.0 CB C:ASN29 4.7 34.3 1.0 O C:HOH497 4.7 39.7 1.0 CA C:THR62 4.8 33.8 1.0 CG2 C:THR62 4.8 30.8 1.0 CG C:ASN27 4.9 39.1 1.0 CB C:TRP28 4.9 33.3 1.0 CA C:TRP28 4.9 34.8 1.0

F.Dong, X.L.Chen, Y.Z.Zhang, P.Wang. Structure of Alginate Lyase ALY36B Mutant K143A/Y185A in Complex with Alginate Tetrasaccharide To Be Published.