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Chlorine in PDB 3f95: Crystal Structure of Extra C-Terminal Domain (X) of Exo-1,3/1,4-Beta- Glucanase (Exop) From Pseudoalteromonas Sp. BB1

Protein crystallography data

The structure of Crystal Structure of Extra C-Terminal Domain (X) of Exo-1,3/1,4-Beta- Glucanase (Exop) From Pseudoalteromonas Sp. BB1, PDB code: 3f95 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) 21.75 / 1.80
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 73.416, 87.882, 56.459, 90.00, 90.00, 90.00
R / Rfree (%) 18.8 / 23.4

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Extra C-Terminal Domain (X) of Exo-1,3/1,4-Beta- Glucanase (Exop) From Pseudoalteromonas Sp. BB1 (pdb code 3f95). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of Extra C-Terminal Domain (X) of Exo-1,3/1,4-Beta- Glucanase (Exop) From Pseudoalteromonas Sp. BB1, PDB code: 3f95:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 3f95

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Chlorine binding site 1 out of 5 in the Crystal Structure of Extra C-Terminal Domain (X) of Exo-1,3/1,4-Beta- Glucanase (Exop) From Pseudoalteromonas Sp. BB1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Extra C-Terminal Domain (X) 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:Cl1001

b:22.9
occ:1.00
 O A:HOH191 3.0 28.9 1.0
O A:HOH99 3.1 31.8 1.0
N A:SER748 3.3 16.4 1.0
O A:ALA730 3.4 16.2 1.0
N A:ALA730 3.5 18.0 1.0
N A:PHE747 3.5 15.6 1.0
CA A:GLY729 3.6 20.5 1.0
O A:HOH382 3.7 36.1 1.0
CB A:SER748 3.9 16.9 1.0
OG A:SER748 3.9 19.6 1.0
CB A:ASP746 4.0 18.9 1.0
CA A:PHE747 4.0 15.3 1.0
CB A:PHE747 4.0 15.4 1.0
C A:GLY729 4.1 19.0 1.0
C A:PHE747 4.1 16.1 1.0
CA A:SER748 4.1 17.5 1.0
C A:ASP746 4.2 17.0 1.0
C A:ALA730 4.3 17.5 1.0
CA A:ASP746 4.4 17.9 1.0
CA A:ALA730 4.5 16.8 1.0
CG A:ASP746 4.8 24.0 1.0
N A:GLY729 4.8 23.3 1.0
O A:HOH229 5.0 41.9 1.0

Chlorine binding site 2 out of 5 in 3f95

Go back to Chlorine Binding Sites List in 3f95
Chlorine binding site 2 out of 5 in the Crystal Structure of Extra C-Terminal Domain (X) of Exo-1,3/1,4-Beta- Glucanase (Exop) From Pseudoalteromonas Sp. BB1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Extra C-Terminal Domain (X) 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:Cl1002

b:41.1
occ:1.00
 O A:HOH121 2.4 25.5 1.0
N A:GLN728 3.1 26.0 1.0
O A:ASN788 3.1 17.5 1.0
O A:HOH227 3.1 32.8 1.0
N A:ASN788 3.2 18.3 1.0
OG A:SER786 3.5 15.2 1.0
O A:GLY729 3.6 17.9 1.0
CA A:GLN728 3.6 26.6 1.0
CB A:ASN788 3.7 19.4 1.0
CB A:GLN728 3.7 26.8 1.0
N A:GLU727 3.7 24.9 1.0
N A:GLY729 3.7 23.3 1.0
CA A:ASN788 3.7 17.7 1.0
C A:GLN728 3.8 25.5 1.0
C A:ASN788 3.8 16.9 1.0
N A:GLN787 3.8 17.5 1.0
CB A:PRO726 3.9 17.9 1.0
C A:GLN787 4.0 18.4 1.0
C A:PRO726 4.1 22.1 1.0
CB A:GLN787 4.1 19.6 1.0
CA A:PRO726 4.1 19.8 1.0
C A:GLU727 4.2 27.1 1.0
CA A:GLN787 4.2 19.1 1.0
CA A:GLU727 4.4 27.4 1.0
O A:GLN728 4.5 27.0 1.0
C A:GLY729 4.5 19.0 1.0
CG A:GLN728 4.6 30.3 1.0
CA A:GLY729 4.7 20.5 1.0
OE1 A:GLN728 4.7 37.8 1.0
O A:HOH150 4.8 32.5 1.0
CB A:GLU727 4.8 28.6 1.0
CB A:SER786 4.8 14.5 1.0
O A:HOH519 4.8 55.5 1.0
O A:PRO726 4.9 23.4 1.0
CG A:GLN787 5.0 25.3 1.0
C A:SER786 5.0 16.5 1.0
CG A:ASN788 5.0 22.4 1.0

Chlorine binding site 3 out of 5 in 3f95

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Chlorine binding site 3 out of 5 in the Crystal Structure of Extra C-Terminal Domain (X) of Exo-1,3/1,4-Beta- Glucanase (Exop) From Pseudoalteromonas Sp. BB1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Extra C-Terminal Domain (X) 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:Cl1001

b:22.5
occ:1.00
 O B:HOH192 3.0 33.8 1.0
O B:HOH267 3.2 44.2 1.0
N B:SER748 3.3 16.7 1.0
N B:ALA730 3.4 17.8 1.0
O B:ALA730 3.4 16.7 1.0
CA B:GLY729 3.5 20.8 1.0
N B:PHE747 3.6 16.3 1.0
O B:HOH268 3.9 39.4 1.0
CB B:SER748 3.9 17.5 1.0
OG B:SER748 4.0 18.3 1.0
C B:GLY729 4.0 18.7 1.0
CB B:PHE747 4.0 15.8 1.0
CA B:PHE747 4.0 15.6 1.0
C B:PHE747 4.1 16.8 1.0
CA B:SER748 4.1 17.3 1.0
CB B:ASP746 4.2 19.1 1.0
C B:ASP746 4.3 17.4 1.0
C B:ALA730 4.3 17.4 1.0
CA B:ALA730 4.4 17.4 1.0
CA B:ASP746 4.5 18.5 1.0
N B:GLY729 4.8 23.8 1.0
O B:HOH439 4.9 38.0 1.0
CG B:ASP746 4.9 23.6 1.0

Chlorine binding site 4 out of 5 in 3f95

Go back to Chlorine Binding Sites List in 3f95
Chlorine binding site 4 out of 5 in the Crystal Structure of Extra C-Terminal Domain (X) of Exo-1,3/1,4-Beta- Glucanase (Exop) From Pseudoalteromonas Sp. BB1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Extra C-Terminal Domain (X) 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:Cl1002

b:38.9
occ:1.00
 O B:HOH302 2.8 36.0 1.0
N B:ALA663 3.1 17.1 1.0
O B:HOH425 3.4 36.7 1.0
O B:HOH518 3.4 45.5 1.0
N B:SER664 3.5 17.7 1.0
CB B:ALA663 3.9 18.1 1.0
CA B:GLY662 3.9 17.0 1.0
CA B:ALA663 3.9 18.7 1.0
C B:GLY662 3.9 17.2 1.0
O B:SER664 4.0 15.9 1.0
C B:ALA663 4.2 18.0 1.0
CB B:SER664 4.4 18.5 1.0
CA B:SER664 4.4 17.8 1.0
C B:SER664 4.7 15.6 1.0
OG B:SER664 4.7 24.3 1.0
N B:GLY662 5.0 17.4 1.0

Chlorine binding site 5 out of 5 in 3f95

Go back to Chlorine Binding Sites List in 3f95
Chlorine binding site 5 out of 5 in the Crystal Structure of Extra C-Terminal Domain (X) of Exo-1,3/1,4-Beta- Glucanase (Exop) From Pseudoalteromonas Sp. BB1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Extra C-Terminal Domain (X) 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:Cl1003

b:33.4
occ:1.00
 N B:GLN728 3.0 26.8 1.0
O B:HOH313 3.2 33.2 1.0
O B:HOH509 3.2 36.6 1.0
N B:ASN788 3.3 16.6 1.0
O B:ASN788 3.3 16.8 1.0
OG B:SER786 3.4 13.3 1.0
O B:GLY729 3.5 17.8 1.0
N B:GLU727 3.5 25.1 1.0
CA B:GLN728 3.6 27.8 1.0
N B:GLY729 3.6 23.8 1.0
N B:GLN787 3.7 15.5 1.0
CB B:GLN728 3.7 28.1 1.0
C B:GLN728 3.7 26.7 1.0
CB B:ASN788 3.8 18.2 1.0
CA B:ASN788 3.9 17.1 1.0
CB B:GLN787 3.9 18.6 1.0
C B:GLU727 4.0 27.6 1.0
C B:ASN788 4.0 16.9 1.0
C B:GLN787 4.0 17.3 1.0
CA B:GLU727 4.0 28.1 1.0
CA B:GLN787 4.0 17.4 1.0
CB B:GLU727 4.1 28.1 1.0
C B:PRO726 4.1 22.9 1.0
CB B:PRO726 4.1 20.9 1.0
CA B:PRO726 4.2 21.1 1.0
C B:GLY729 4.4 18.7 1.0
CG B:GLN728 4.4 30.0 1.0
O B:GLN728 4.5 29.3 1.0
CA B:GLY729 4.6 20.8 1.0
CB B:SER786 4.7 13.4 1.0
CG B:GLN787 4.8 22.3 1.0
C B:SER786 4.8 14.6 1.0
OE1 B:GLN787 4.9 33.6 1.0
O B:PRO726 5.0 22.9 1.0

Reference:

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
Page generated: Fri Jul 11 05:01:06 2025

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