Calcium in PDB 3ut0: Crystal Structure of Exo-1,3/1,4-Beta-Glucanase (Exop) From Pseudoalteromonas Sp. BB1

The structure of Crystal Structure of Exo-1,3/1,4-Beta-Glucanase (Exop) From Pseudoalteromonas Sp. BB1, PDB code: 3ut0 was solved by Y.Nakatani, S.M.Cutfield, J.F.Cutfield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.33 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	84.908, 257.821, 85.605, 90.00, 115.47, 90.00
R / Rfree (%)	22.3 / 27

The structure of Crystal Structure of Exo-1,3/1,4-Beta-Glucanase (Exop) From Pseudoalteromonas Sp. BB1 also contains other interesting chemical elements:

Sodium

(Na)

4 atoms

The binding sites of Calcium atom in the Crystal Structure of Exo-1,3/1,4-Beta-Glucanase (Exop) From Pseudoalteromonas Sp. BB1 (pdb code 3ut0). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Crystal Structure of Exo-1,3/1,4-Beta-Glucanase (Exop) From Pseudoalteromonas Sp. BB1, PDB code: 3ut0:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Crystal Structure of Exo-1,3/1,4-Beta-Glucanase (Exop) From Pseudoalteromonas Sp. BB1


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 Exo-1,3/1,4-Beta-Glucanase (Exop) From Pseudoalteromonas Sp. BB1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca901 b:31.0 occ:1.00 OD1 A:ASN593 2.3 27.4 1.0 O A:LEU592 2.3 31.3 1.0 OE1 A:GLU179 2.3 34.0 1.0 O A:HOH837 2.4 33.3 1.0 O A:HOH830 2.4 30.5 1.0 O A:HOH836 2.5 29.8 1.0 CD A:GLU179 3.2 42.7 1.0 CG A:ASN593 3.3 42.1 1.0 C A:LEU592 3.4 40.0 1.0 CB A:GLU179 3.8 18.3 1.0 OE2 A:GLU179 3.9 38.2 1.0 CA A:ASN593 4.0 36.3 1.0 CG A:GLU179 4.1 34.6 1.0 OD1 A:ASP168 4.1 32.7 1.0 ND2 A:ASN593 4.1 27.3 1.0 N A:ASN593 4.1 34.6 1.0 CB A:ASN593 4.2 21.9 1.0 OD2 A:ASP168 4.2 30.9 1.0 N A:SER582 4.3 44.1 1.0 N A:LEU592 4.3 35.6 1.0 O A:ARG166 4.3 23.1 1.0 CA A:LEU592 4.4 30.0 1.0 CG A:ASP168 4.5 40.5 1.0 CB A:SER582 4.5 30.4 1.0 O A:VAL165 4.6 39.7 1.0 CD1 A:PHE581 4.6 24.4 1.0 CB A:LEU592 4.7 34.4 1.0 O A:SER582 4.7 39.2 1.0 C A:ARG166 4.8 31.3 1.0 OG A:SER582 4.8 36.8 1.0 CA A:SER582 4.9 40.4 1.0

Calcium binding site 2 out of 4 in the Crystal Structure of Exo-1,3/1,4-Beta-Glucanase (Exop) From Pseudoalteromonas Sp. BB1


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 Exo-1,3/1,4-Beta-Glucanase (Exop) From Pseudoalteromonas Sp. BB1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca901 b:40.9 occ:1.00 O B:LEU592 2.3 33.8 1.0 OE1 B:GLU179 2.3 37.2 1.0 O B:HOH835 2.4 37.0 1.0 OD1 B:ASN593 2.4 36.0 1.0 O B:HOH831 2.4 56.0 1.0 O B:HOH834 2.4 32.9 1.0 CD B:GLU179 3.2 45.4 1.0 C B:LEU592 3.4 36.8 1.0 CG B:ASN593 3.4 50.1 1.0 CB B:GLU179 3.8 31.4 1.0 OE2 B:GLU179 3.9 50.6 1.0 CA B:ASN593 4.1 44.8 1.0 OD1 B:ASP168 4.1 47.2 1.0 CG B:GLU179 4.1 38.4 1.0 N B:ASN593 4.1 43.1 1.0 ND2 B:ASN593 4.2 31.9 1.0 OD2 B:ASP168 4.2 41.6 1.0 N B:SER582 4.2 40.7 1.0 CB B:ASN593 4.3 37.3 1.0 N B:LEU592 4.3 41.5 1.0 CA B:LEU592 4.3 44.7 1.0 O B:ARG166 4.4 41.0 1.0 CB B:SER582 4.5 39.0 1.0 CG B:ASP168 4.5 46.2 1.0 O B:VAL165 4.6 47.9 1.0 O B:SER582 4.7 38.2 1.0 CD1 B:PHE581 4.7 31.4 1.0 CB B:LEU592 4.7 36.2 1.0 C B:ARG166 4.8 37.5 1.0 OG B:SER582 4.8 38.9 1.0 CA B:SER582 4.9 36.9 1.0

Calcium binding site 3 out of 4 in the Crystal Structure of Exo-1,3/1,4-Beta-Glucanase (Exop) From Pseudoalteromonas Sp. BB1


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of Exo-1,3/1,4-Beta-Glucanase (Exop) From Pseudoalteromonas Sp. BB1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca901 b:31.4 occ:1.00 OD1 C:ASN593 2.2 27.0 1.0 OE1 C:GLU179 2.3 33.3 1.0 O C:HOH831 2.4 23.2 1.0 O C:HOH832 2.4 28.7 1.0 O C:LEU592 2.4 37.1 1.0 O C:HOH829 2.4 24.3 1.0 CD C:GLU179 3.2 40.0 1.0 CG C:ASN593 3.3 40.0 1.0 C C:LEU592 3.4 34.5 1.0 CB C:GLU179 3.7 29.1 1.0 OE2 C:GLU179 3.9 39.4 1.0 CG C:GLU179 4.0 36.4 1.0 OD1 C:ASP168 4.0 26.0 1.0 CA C:ASN593 4.0 41.4 1.0 ND2 C:ASN593 4.1 32.3 1.0 N C:ASN593 4.1 32.6 1.0 CB C:ASN593 4.2 28.9 1.0 OD2 C:ASP168 4.2 26.7 1.0 O C:ARG166 4.3 32.7 1.0 N C:SER582 4.3 40.6 1.0 N C:LEU592 4.4 39.8 1.0 O C:VAL165 4.4 48.3 1.0 CA C:LEU592 4.4 31.3 1.0 CG C:ASP168 4.5 35.0 1.0 CD1 C:PHE581 4.6 22.2 1.0 CB C:SER582 4.6 32.4 1.0 C C:ARG166 4.7 28.3 1.0 O C:SER582 4.8 23.0 1.0 CB C:LEU592 4.9 33.5 1.0 OG C:SER582 5.0 24.3 1.0 CA C:SER582 5.0 42.6 1.0 CA C:ARG166 5.0 46.2 1.0

Calcium binding site 4 out of 4 in the Crystal Structure of Exo-1,3/1,4-Beta-Glucanase (Exop) From Pseudoalteromonas Sp. BB1


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of Exo-1,3/1,4-Beta-Glucanase (Exop) From Pseudoalteromonas Sp. BB1 within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca901 b:37.0 occ:1.00 O D:LEU592 2.3 31.9 1.0 O D:HOH827 2.3 36.5 1.0 O D:HOH830 2.4 36.6 1.0 OE1 D:GLU179 2.4 44.4 1.0 OD1 D:ASN593 2.4 31.9 1.0 O D:HOH829 2.5 41.2 1.0 CD D:GLU179 3.3 43.1 1.0 C D:LEU592 3.3 39.4 1.0 CG D:ASN593 3.4 45.5 1.0 CB D:GLU179 3.9 24.9 1.0 OE2 D:GLU179 3.9 42.3 1.0 CA D:ASN593 4.0 40.0 1.0 OD1 D:ASP168 4.1 49.0 1.0 N D:ASN593 4.1 46.3 1.0 CG D:GLU179 4.1 38.4 1.0 OD2 D:ASP168 4.1 36.1 1.0 ND2 D:ASN593 4.2 34.8 1.0 N D:SER582 4.2 44.8 1.0 N D:LEU592 4.3 42.2 1.0 CA D:LEU592 4.3 43.0 1.0 CB D:ASN593 4.3 26.6 1.0 O D:ARG166 4.4 28.2 1.0 CB D:SER582 4.4 43.4 1.0 CG D:ASP168 4.5 48.3 1.0 CB D:LEU592 4.6 42.4 1.0 O D:SER582 4.6 37.1 1.0 O D:VAL165 4.6 43.4 1.0 CD1 D:PHE581 4.7 26.2 1.0 CA D:SER582 4.8 42.4 1.0 OG D:SER582 4.8 43.0 1.0 C D:ARG166 4.9 39.8 1.0

Y.Nakatani, S.M.Cutfield, N.P.Cowieson, J.F.Cutfield. Structure and Activity of Exo-1,3/1,4-Beta-Glucanase From Marine Bacterium Pseudoalteromonas Sp. BB1 Showing A Novel C-Terminal Domain Febs J. 2011.
ISSN: ISSN 1742-464X
PubMed: 22129429
DOI: 10.1111/J.1742-4658.2011.08439.X