Chlorine in PDB 8qb1: C-Terminal Domain of Mirolase From Tannerella Forsythia

Protein crystallography data

The structure of C-Terminal Domain of Mirolase From Tannerella Forsythia, PDB code: 8qb1 was solved by F.X.Gomis-Ruth, A.Rodriguez-Banqueri, D.Mizgalska, F.Veillard, T.Goulas, U.Eckhard, J.Potempa, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.41 / 1.60
Space group P 31
Cell size a, b, c (Å), α, β, γ (°) 81.445, 81.445, 66.553, 90, 90, 120
R / Rfree (%) 27.5 / 30.2

Other elements in 8qb1:

The structure of C-Terminal Domain of Mirolase From Tannerella Forsythia also contains other interesting chemical elements:

Potassium (K) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the C-Terminal Domain of Mirolase From Tannerella Forsythia (pdb code 8qb1). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the C-Terminal Domain of Mirolase From Tannerella Forsythia, PDB code: 8qb1:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 8qb1

Go back to Chlorine Binding Sites List in 8qb1
Chlorine binding site 1 out of 6 in the C-Terminal Domain of Mirolase From Tannerella Forsythia


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of C-Terminal Domain of Mirolase From Tannerella Forsythia within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl801

b:16.8
occ:1.00
 N A:MSE748 3.2 8.8 1.0
C4 A:PEG802 3.5 26.1 1.0
CA A:MSE748 3.7 8.1 1.0
N A:GLY747 3.7 10.3 1.0
CD1 A:PHE774 3.8 13.8 1.0
CB A:TRP745 3.8 8.0 1.0
N A:SER746 3.9 9.3 1.0
CA A:SER746 3.9 9.7 1.0
C A:SER746 3.9 9.5 1.0
C3 A:PEG802 3.9 25.7 1.0
C A:TRP745 4.1 9.1 1.0
SE A:MSE748 4.2 15.8 1.0
C A:GLY747 4.3 9.9 1.0
O A:TRP745 4.3 8.9 1.0
CE1 A:PHE774 4.4 15.3 1.0
CA A:GLY747 4.5 10.2 1.0
O A:SER746 4.5 8.9 1.0
CG A:MSE748 4.5 10.8 1.0
O A:HOH943 4.5 18.8 1.0
CE3 A:TRP745 4.6 9.1 1.0
CG A:PHE774 4.6 12.3 1.0
CA A:TRP745 4.6 8.4 1.0
N A:ARG749 4.7 8.3 1.0
CB A:PHE774 4.7 10.8 1.0
C A:MSE748 4.7 8.9 1.0
CG A:TRP745 4.7 8.5 1.0
CB A:MSE748 4.7 8.3 1.0
O4 A:PEG802 4.7 26.6 1.0
O2 A:PEG802 4.9 25.2 1.0
CD2 A:TRP745 5.0 8.7 1.0

Chlorine binding site 2 out of 6 in 8qb1

Go back to Chlorine Binding Sites List in 8qb1
Chlorine binding site 2 out of 6 in the C-Terminal Domain of Mirolase From Tannerella Forsythia


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of C-Terminal Domain of Mirolase From Tannerella Forsythia within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl801

b:18.5
occ:0.91
 N B:MSE748 3.3 15.5 1.0
O B:HOH958 3.3 33.4 1.0
C2 B:PEG803 3.6 39.5 1.0
C1 B:PEG803 3.7 39.3 1.0
CD1 B:PHE774 3.7 20.2 1.0
CB B:TRP745 3.8 12.1 1.0
N B:GLY747 3.8 15.3 1.0
CA B:MSE748 3.8 15.2 1.0
N B:SER746 3.9 12.3 1.0
CA B:SER746 3.9 13.9 1.0
C B:SER746 4.0 14.8 1.0
C B:TRP745 4.0 11.8 1.0
O B:TRP745 4.2 11.7 1.0
SE B:MSE748 4.3 24.7 1.0
C B:GLY747 4.4 16.0 1.0
CE1 B:PHE774 4.4 20.6 1.0
CG B:PHE774 4.5 19.2 1.0
O1 B:PEG803 4.5 39.2 1.0
CB B:PHE774 4.5 17.8 1.0
CA B:GLY747 4.6 15.7 1.0
CA B:TRP745 4.6 11.5 1.0
CE3 B:TRP745 4.6 14.1 1.0
CG B:MSE748 4.7 19.1 1.0
O B:SER746 4.7 14.4 1.0
CG B:TRP745 4.7 12.8 1.0
N B:ARG749 4.7 12.0 1.0
O B:HOH945 4.8 22.2 0.5
C B:MSE748 4.8 13.6 1.0
CB B:MSE748 4.9 16.2 1.0
O2 B:PEG803 5.0 39.4 1.0

Chlorine binding site 3 out of 6 in 8qb1

Go back to Chlorine Binding Sites List in 8qb1
Chlorine binding site 3 out of 6 in the C-Terminal Domain of Mirolase From Tannerella Forsythia


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of C-Terminal Domain of Mirolase From Tannerella Forsythia within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl801

b:18.8
occ:0.96
 N C:MSE748 3.2 16.0 1.0
CA C:MSE748 3.7 16.1 1.0
CB C:TRP745 3.7 11.3 1.0
N C:GLY747 3.8 16.2 1.0
CD1 C:PHE774 3.8 19.3 1.0
C3 C:PEG802 3.8 36.1 1.0
N C:SER746 3.9 13.5 1.0
CA C:SER746 3.9 14.9 1.0
C4 C:PEG802 3.9 36.1 1.0
C C:SER746 3.9 15.4 1.0
C C:TRP745 4.1 12.8 1.0
SE C:MSE748 4.2 25.1 1.0
C C:GLY747 4.3 16.7 1.0
O C:TRP745 4.3 11.9 1.0
O4 C:PEG802 4.4 36.2 1.0
CE1 C:PHE774 4.5 20.7 1.0
O C:HOH917 4.5 21.9 1.0
CA C:GLY747 4.5 17.1 1.0
CG C:PHE774 4.5 18.2 1.0
N C:ARG749 4.6 15.9 1.0
CA C:TRP745 4.6 12.0 1.0
CB C:PHE774 4.6 16.9 1.0
CG C:MSE748 4.6 20.4 1.0
O C:SER746 4.6 15.0 1.0
C C:MSE748 4.6 15.9 1.0
CE3 C:TRP745 4.7 13.8 1.0
CG C:TRP745 4.7 12.3 1.0
CB C:MSE748 4.7 16.9 1.0
CD2 C:TRP745 5.0 12.8 1.0

Chlorine binding site 4 out of 6 in 8qb1

Go back to Chlorine Binding Sites List in 8qb1
Chlorine binding site 4 out of 6 in the C-Terminal Domain of Mirolase From Tannerella Forsythia


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of C-Terminal Domain of Mirolase From Tannerella Forsythia within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl801

b:15.4
occ:1.00
 N D:MSE748 3.2 10.1 1.0
N D:GLY747 3.7 10.5 1.0
C3 D:PEG802 3.7 25.6 1.0
CD1 D:PHE774 3.7 12.8 1.0
CA D:MSE748 3.7 9.1 1.0
CB D:TRP745 3.8 8.7 1.0
N D:SER746 3.9 8.8 1.0
CA D:SER746 3.9 9.2 1.0
C4 D:PEG802 3.9 25.8 1.0
C D:SER746 3.9 9.7 1.0
C D:TRP745 4.1 8.9 1.0
SE D:MSE748 4.2 17.5 1.0
O D:TRP745 4.3 9.2 1.0
C D:GLY747 4.3 10.8 1.0
CE1 D:PHE774 4.4 13.6 1.0
O D:HOH930 4.4 19.9 1.0
CA D:GLY747 4.5 11.1 1.0
CG D:PHE774 4.6 11.6 1.0
CG D:MSE748 4.6 11.7 1.0
CE3 D:TRP745 4.6 8.9 1.0
CA D:TRP745 4.6 8.8 1.0
O D:SER746 4.6 9.8 1.0
O4 D:PEG802 4.6 26.1 1.0
CB D:PHE774 4.7 10.2 1.0
N D:ARG749 4.7 8.2 1.0
CG D:TRP745 4.7 9.0 1.0
C D:MSE748 4.7 8.6 1.0
CB D:MSE748 4.8 9.5 1.0
CD2 D:TRP745 5.0 8.6 1.0

Chlorine binding site 5 out of 6 in 8qb1

Go back to Chlorine Binding Sites List in 8qb1
Chlorine binding site 5 out of 6 in the C-Terminal Domain of Mirolase From Tannerella Forsythia


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of C-Terminal Domain of Mirolase From Tannerella Forsythia within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl801

b:18.0
occ:0.95
 O E:HOH957 3.3 31.8 1.0
N E:MSE748 3.3 15.5 1.0
C2 E:PEG803 3.6 36.8 1.0
C1 E:PEG803 3.7 36.8 1.0
CB E:TRP745 3.7 12.3 1.0
CD1 E:PHE774 3.8 20.0 1.0
N E:GLY747 3.8 16.1 1.0
CA E:MSE748 3.8 14.7 1.0
N E:SER746 3.8 13.3 1.0
CA E:SER746 3.9 15.0 1.0
C E:SER746 4.0 15.7 1.0
C E:TRP745 4.0 12.6 1.0
O E:TRP745 4.2 13.3 1.0
SE E:MSE748 4.3 24.8 1.0
O1 E:PEG803 4.4 36.7 1.0
C E:GLY747 4.4 16.7 1.0
CE1 E:PHE774 4.5 20.4 1.0
CB E:PHE774 4.5 17.7 1.0
CG E:PHE774 4.5 18.9 1.0
CA E:TRP745 4.5 11.9 1.0
CA E:GLY747 4.6 16.4 1.0
CE3 E:TRP745 4.6 14.8 1.0
O E:HOH931 4.6 30.1 1.0
O E:SER746 4.7 15.9 1.0
CG E:TRP745 4.7 13.2 1.0
CG E:MSE748 4.7 19.2 1.0
N E:ARG749 4.7 11.5 1.0
C E:MSE748 4.8 12.9 1.0
CB E:MSE748 4.9 15.8 1.0
O2 E:PEG803 5.0 36.7 1.0
CD2 E:TRP745 5.0 14.0 1.0

Chlorine binding site 6 out of 6 in 8qb1

Go back to Chlorine Binding Sites List in 8qb1
Chlorine binding site 6 out of 6 in the C-Terminal Domain of Mirolase From Tannerella Forsythia


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of C-Terminal Domain of Mirolase From Tannerella Forsythia within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl801

b:15.0
occ:0.84
 N F:MSE748 3.2 13.6 1.0
CA F:MSE748 3.7 14.7 1.0
CB F:TRP745 3.8 11.8 1.0
CD1 F:PHE774 3.8 20.2 1.0
C1 F:PEG802 3.8 32.8 1.0
N F:GLY747 3.8 13.7 1.0
C2 F:PEG802 3.8 32.8 1.0
N F:SER746 3.9 12.3 1.0
CA F:SER746 3.9 13.4 1.0
C F:SER746 4.0 13.6 1.0
C F:TRP745 4.1 12.8 1.0
SE F:MSE748 4.2 25.4 1.0
C F:GLY747 4.3 13.7 1.0
O F:TRP745 4.4 12.2 1.0
CE1 F:PHE774 4.4 21.6 1.0
O1 F:PEG802 4.4 32.7 1.0
CG F:PHE774 4.5 18.8 1.0
CA F:GLY747 4.5 13.9 1.0
O F:HOH929 4.6 25.4 1.0
CG F:MSE748 4.6 18.7 1.0
CB F:PHE774 4.6 17.3 1.0
O F:SER746 4.6 13.3 1.0
N F:ARG749 4.6 15.3 1.0
CA F:TRP745 4.6 12.0 1.0
C F:MSE748 4.7 15.7 1.0
CE3 F:TRP745 4.7 15.4 1.0
CG F:TRP745 4.7 13.3 1.0
CB F:MSE748 4.8 15.9 1.0

Reference:

D.Mizgalska, A.Rodriguez-Banqueri, F.Veillard, M.Ksiazek, T.Goulas, T.Guevara, U.Eckhard, J.Potempa, F.X.Gomis-Ruth. Structural and Functional Insights Into the C-Terminal Signal Domain of the Bacteroidetes Type-IX Secretion System Open Biology 2024.
ISSN: ESSN 2046-2441
Page generated: Tue Jul 30 11:53:40 2024

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