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Sodium in PDB 8cq6: Bifunctional Cyclohexadienyl Dehydratase/Chorismate Mutase From Duganella Sacchari

Enzymatic activity of Bifunctional Cyclohexadienyl Dehydratase/Chorismate Mutase From Duganella Sacchari

All present enzymatic activity of Bifunctional Cyclohexadienyl Dehydratase/Chorismate Mutase From Duganella Sacchari:
5.4.99.5;

Protein crystallography data

The structure of Bifunctional Cyclohexadienyl Dehydratase/Chorismate Mutase From Duganella Sacchari, PDB code: 8cq6 was solved by T.Khatanbaatar, G.Cordara, U.Krengel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 99.90 / 2.44
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 92.108, 111.93, 221.386, 90, 90, 90
R / Rfree (%) 22.5 / 26.5

Other elements in 8cq6:

The structure of Bifunctional Cyclohexadienyl Dehydratase/Chorismate Mutase From Duganella Sacchari also contains other interesting chemical elements:

Chlorine (Cl) 6 atoms

Sodium Binding Sites:

The binding sites of Sodium atom in the Bifunctional Cyclohexadienyl Dehydratase/Chorismate Mutase From Duganella Sacchari (pdb code 8cq6). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 4 binding sites of Sodium where determined in the Bifunctional Cyclohexadienyl Dehydratase/Chorismate Mutase From Duganella Sacchari, PDB code: 8cq6:
Jump to Sodium binding site number: 1; 2; 3; 4;

Sodium binding site 1 out of 4 in 8cq6

Go back to Sodium Binding Sites List in 8cq6
Sodium binding site 1 out of 4 in the Bifunctional Cyclohexadienyl Dehydratase/Chorismate Mutase From Duganella Sacchari


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Bifunctional Cyclohexadienyl Dehydratase/Chorismate Mutase From Duganella Sacchari within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na501

b:51.2
occ:1.00
 O A:HOH607 2.5 35.2 1.0
O A:LEU201 2.7 47.6 1.0
O A:GLN195 3.0 48.2 1.0
O A:PRO199 3.1 63.8 1.0
C A:PRO199 3.8 66.3 1.0
C A:LEU201 3.8 51.0 1.0
SG A:CYS202 3.9 63.0 1.0
C A:GLN195 3.9 49.5 1.0
CA A:PRO199 4.0 69.4 1.0
CB A:GLN195 4.1 55.0 1.0
CG A:GLN195 4.1 55.9 1.0
O A:HIS198 4.2 65.7 1.0
SG A:CYS123 4.2 73.0 1.0
CA A:GLN195 4.3 51.8 1.0
CA A:CYS202 4.5 48.8 1.0
N A:CYS202 4.6 48.0 1.0
N A:LEU201 4.7 61.3 1.0
CD A:GLN195 4.8 57.6 1.0
CB A:CYS202 4.8 52.8 1.0
OE1 A:GLN195 4.9 55.4 1.0
N A:GLU200 4.9 65.9 1.0
CA A:LEU201 4.9 55.5 1.0
N A:PRO199 5.0 69.5 1.0
C A:HIS198 5.0 62.5 1.0
N A:ARG196 5.0 50.6 1.0

Sodium binding site 2 out of 4 in 8cq6

Go back to Sodium Binding Sites List in 8cq6
Sodium binding site 2 out of 4 in the Bifunctional Cyclohexadienyl Dehydratase/Chorismate Mutase From Duganella Sacchari


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Bifunctional Cyclohexadienyl Dehydratase/Chorismate Mutase From Duganella Sacchari within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na502

b:64.9
occ:1.00
 O A:PRO159 2.3 59.7 1.0
O A:ALA161 2.9 50.0 1.0
C A:PRO159 3.5 63.3 1.0
C A:ALA161 4.1 56.3 1.0
CA A:PRO159 4.3 60.4 1.0
C A:HIS160 4.4 59.7 1.0
N A:HIS160 4.5 63.5 1.0
N A:ALA161 4.6 54.5 1.0
O A:HIS160 4.7 60.7 1.0
CA A:HIS160 4.7 65.5 1.0
CB A:LEU163 4.9 65.7 1.0
N A:LEU163 5.0 65.1 1.0
NE2 A:GLN162 5.0 73.2 1.0

Sodium binding site 3 out of 4 in 8cq6

Go back to Sodium Binding Sites List in 8cq6
Sodium binding site 3 out of 4 in the Bifunctional Cyclohexadienyl Dehydratase/Chorismate Mutase From Duganella Sacchari


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 3 of Bifunctional Cyclohexadienyl Dehydratase/Chorismate Mutase From Duganella Sacchari within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Na501

b:46.4
occ:1.00
 O B:ALA46 2.4 49.4 1.0
C B:ALA46 3.3 46.1 1.0
CD B:GLN261 3.5 68.7 1.0
NE2 B:GLN261 3.5 74.6 1.0
OE1 B:GLN261 3.7 73.5 1.0
CG B:GLN261 4.0 56.4 1.0
CA B:ALA46 4.2 45.6 1.0
CA B:GLY47 4.2 46.0 1.0
N B:GLY47 4.2 44.5 1.0
O B:ARG45 4.3 43.6 1.0
OH B:TYR44 5.0 46.2 1.0

Sodium binding site 4 out of 4 in 8cq6

Go back to Sodium Binding Sites List in 8cq6
Sodium binding site 4 out of 4 in the Bifunctional Cyclohexadienyl Dehydratase/Chorismate Mutase From Duganella Sacchari


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 4 of Bifunctional Cyclohexadienyl Dehydratase/Chorismate Mutase From Duganella Sacchari within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Na502

b:51.8
occ:1.00
 O B:PRO159 2.2 81.4 1.0
O B:ALA161 2.6 54.9 1.0
C B:PRO159 3.3 76.0 1.0
C B:ALA161 3.8 60.0 1.0
CA B:PRO159 4.0 72.7 1.0
N B:ALA161 4.3 66.1 1.0
N B:HIS160 4.3 72.4 1.0
C B:HIS160 4.3 71.8 1.0
CB B:LEU163 4.4 66.7 1.0
O B:ALA158 4.5 64.8 1.0
N B:LEU163 4.6 68.8 1.0
CA B:HIS160 4.6 74.9 1.0
CA B:ALA161 4.7 60.6 1.0
O B:HIS160 4.7 73.8 1.0
N B:GLN162 4.8 64.0 1.0
CA B:GLN162 4.9 69.9 1.0

Reference:

C.Stocker, T.Khatanbaatar, L.Bressan, K.Wurth-Roderer, G.Cordara, U.Krengel, P.Kast. Novel Exported Fusion Enzymes with Chorismate Mutase and Cyclohexadienyl Dehydratase Activity: Shikimate Pathway Enzymes Teamed Up in No Man'S Land. J.Biol.Chem. 05161 2023.
ISSN: ESSN 1083-351X
PubMed: 37586588
DOI: 10.1016/J.JBC.2023.105161
Page generated: Wed Oct 9 11:02:25 2024

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