Calcium in PDB 8gyg: Purification ,Crystallization and X-Ray Diffraction Analysis of A Novel Arysulfatase From Pseudoalteromonas Atlantica T6C

The structure of Purification ,Crystallization and X-Ray Diffraction Analysis of A Novel Arysulfatase From Pseudoalteromonas Atlantica T6C, PDB code: 8gyg was solved by P.P.Dong, Y.K.Wu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.59 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	55.17, 61.38, 89.6, 90, 97.88, 90
R / Rfree (%)	20 / 24.4

The structure of Purification ,Crystallization and X-Ray Diffraction Analysis of A Novel Arysulfatase From Pseudoalteromonas Atlantica T6C also contains other interesting chemical elements:

Manganese

(Mn)

1 atom

The binding sites of Calcium atom in the Purification ,Crystallization and X-Ray Diffraction Analysis of A Novel Arysulfatase From Pseudoalteromonas Atlantica T6C (pdb code 8gyg). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Purification ,Crystallization and X-Ray Diffraction Analysis of A Novel Arysulfatase From Pseudoalteromonas Atlantica T6C, PDB code: 8gyg:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Purification ,Crystallization and X-Ray Diffraction Analysis of A Novel Arysulfatase From Pseudoalteromonas Atlantica T6C


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Purification ,Crystallization and X-Ray Diffraction Analysis of A Novel Arysulfatase From Pseudoalteromonas Atlantica T6C within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:10.2 occ:1.00 O A:HOH542 2.1 21.1 1.0 NE2 A:HIS267 2.2 17.4 1.0 OD2 A:ASP191 2.2 18.9 1.0 NE2 A:HIS73 2.3 16.0 1.0 OD1 A:ASP72 2.3 11.9 1.0 MN A:MN403 2.9 57.4 1.0 CD2 A:HIS73 3.0 20.3 1.0 CG A:ASP191 3.0 18.5 1.0 CE1 A:HIS267 3.1 16.5 1.0 OD1 A:ASP191 3.2 18.9 1.0 CD2 A:HIS267 3.3 15.6 1.0 CG A:ASP72 3.3 21.3 1.0 CA A:CA402 3.3 11.2 1.0 CE1 A:HIS73 3.5 17.1 1.0 OD2 A:ASP72 3.7 16.9 1.0 O A:HOH584 3.9 26.7 1.0 N A:GLY18 4.1 16.4 1.0 ND1 A:HIS267 4.2 16.1 1.0 NE2 A:HIS68 4.3 19.4 1.0 CG A:HIS73 4.3 16.4 1.0 CG A:HIS267 4.3 15.4 1.0 CE1 A:HIS68 4.4 20.2 1.0 ND1 A:HIS73 4.4 17.7 1.0 CA A:GLY18 4.5 19.9 1.0 CB A:ASP191 4.5 20.1 1.0 CB A:ASP72 4.7 16.2 1.0 CE1 A:HIS245 4.7 22.2 1.0 CG A:PRO28 4.8 17.0 1.0 O A:HOH670 4.8 22.5 1.0

Calcium binding site 2 out of 4 in the Purification ,Crystallization and X-Ray Diffraction Analysis of A Novel Arysulfatase From Pseudoalteromonas Atlantica T6C


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Purification ,Crystallization and X-Ray Diffraction Analysis of A Novel Arysulfatase From Pseudoalteromonas Atlantica T6C within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:11.2 occ:1.00 O A:HOH542 2.1 21.1 1.0 ND1 A:HIS70 2.2 24.5 1.0 O A:HOH584 2.2 26.7 1.0 OD2 A:ASP191 2.3 18.9 1.0 NE2 A:HIS68 2.3 19.4 1.0 NE2 A:HIS159 2.4 27.9 1.0 CE1 A:HIS70 3.1 26.0 1.0 CD2 A:HIS68 3.2 17.4 1.0 CD2 A:HIS159 3.2 22.3 1.0 CG A:HIS70 3.3 22.0 1.0 CG A:ASP191 3.3 18.5 1.0 CA A:CA401 3.3 10.2 1.0 CE1 A:HIS159 3.4 21.7 1.0 CE1 A:HIS68 3.4 20.2 1.0 MN A:MN403 3.6 57.4 1.0 CB A:HIS70 3.6 21.0 1.0 CB A:ASP191 3.6 20.1 1.0 NE2 A:HIS73 4.2 16.0 1.0 NE2 A:HIS70 4.2 25.9 1.0 CD2 A:HIS70 4.3 21.1 1.0 CD2 A:HIS73 4.3 20.3 1.0 CG A:HIS159 4.4 17.0 1.0 CG A:HIS68 4.4 22.5 1.0 OD1 A:ASP191 4.4 18.9 1.0 ND1 A:HIS159 4.4 22.5 1.0 ND1 A:HIS68 4.5 24.6 1.0 OD2 A:ASP72 4.6 16.9 1.0 CE1 A:HIS245 4.7 22.2 1.0 O A:HOH647 4.7 32.9 1.0 OD1 A:ASP72 4.8 11.9 1.0

Calcium binding site 3 out of 4 in the Purification ,Crystallization and X-Ray Diffraction Analysis of A Novel Arysulfatase From Pseudoalteromonas Atlantica T6C


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Purification ,Crystallization and X-Ray Diffraction Analysis of A Novel Arysulfatase From Pseudoalteromonas Atlantica T6C within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca401 b:8.7 occ:1.00 O B:HOH517 2.1 14.2 1.0 NE2 B:HIS68 2.2 14.0 1.0 OD2 B:ASP191 2.2 15.1 1.0 ND1 B:HIS70 2.2 19.5 1.0 NE2 B:HIS159 2.3 16.8 1.0 O B:HOH712 2.4 18.1 1.0 CD2 B:HIS68 3.1 16.1 1.0 CE1 B:HIS70 3.1 24.9 1.0 CE1 B:HIS159 3.2 15.6 1.0 CG B:ASP191 3.2 18.1 1.0 CE1 B:HIS68 3.2 17.6 1.0 CG B:HIS70 3.3 19.5 1.0 CD2 B:HIS159 3.3 15.6 1.0 CA B:CA402 3.3 9.6 1.0 CB B:ASP191 3.6 11.1 1.0 CB B:HIS70 3.7 17.6 1.0 O B:HOH740 3.7 15.7 1.0 OD1 B:ASP191 4.2 13.8 1.0 NE2 B:HIS70 4.2 21.4 1.0 CG B:HIS68 4.2 13.5 1.0 NE2 B:HIS73 4.3 10.2 1.0 ND1 B:HIS68 4.3 17.6 1.0 ND1 B:HIS159 4.3 17.8 1.0 CD2 B:HIS70 4.3 21.3 1.0 CD2 B:HIS73 4.3 11.9 1.0 CG B:HIS159 4.3 18.0 1.0 OD1 B:ASP72 4.5 13.2 1.0 CE1 B:HIS245 4.7 15.8 1.0 O B:HOH766 4.8 28.0 1.0 OD2 B:ASP72 4.9 10.2 1.0

Calcium binding site 4 out of 4 in the Purification ,Crystallization and X-Ray Diffraction Analysis of A Novel Arysulfatase From Pseudoalteromonas Atlantica T6C


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Purification ,Crystallization and X-Ray Diffraction Analysis of A Novel Arysulfatase From Pseudoalteromonas Atlantica T6C within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca402 b:9.6 occ:1.00 NE2 B:HIS267 2.3 9.9 1.0 OD2 B:ASP72 2.3 10.2 1.0 O B:HOH517 2.3 14.2 1.0 OD2 B:ASP191 2.3 15.1 1.0 NE2 B:HIS73 2.4 10.2 1.0 O B:HOH740 2.5 15.7 1.0 OD1 B:ASP191 3.0 13.8 1.0 CG B:ASP191 3.0 18.1 1.0 CD2 B:HIS73 3.0 11.9 1.0 CE1 B:HIS267 3.1 10.4 1.0 CG B:ASP72 3.2 11.9 1.0 CD2 B:HIS267 3.3 13.2 1.0 CA B:CA401 3.3 8.7 1.0 OD1 B:ASP72 3.4 13.2 1.0 CE1 B:HIS73 3.5 12.2 1.0 O B:HOH712 3.9 18.1 1.0 NE2 B:HIS68 4.2 14.0 1.0 N B:GLY18 4.3 11.2 1.0 ND1 B:HIS267 4.3 12.3 1.0 CE1 B:HIS68 4.3 17.6 1.0 CG B:HIS73 4.3 10.4 1.0 CG B:HIS267 4.4 12.7 1.0 CB B:ASP191 4.5 11.1 1.0 ND1 B:HIS73 4.5 12.9 1.0 CA B:GLY18 4.6 14.3 1.0 CB B:ASP72 4.6 11.2 1.0 CE1 B:HIS245 4.7 15.8 1.0 O B:HOH758 4.8 16.7 1.0 CG B:PRO28 4.9 9.3 1.0

P.P.Dong, Y.K.Wu. Purification ,Crystallization and X-Ray Diffraction Analysis of A Novel Arysulfatase From Pseudoalteromonas Atlantica T6C To Be Published.