Chlorine 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:

Sodium (Na) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Bifunctional Cyclohexadienyl Dehydratase/Chorismate Mutase From Duganella Sacchari, PDB code: 8cq6:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 8cq6

Go back to Chlorine Binding Sites List in 8cq6
Chlorine binding site 1 out of 6 in the Bifunctional Cyclohexadienyl Dehydratase/Chorismate Mutase From Duganella Sacchari


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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:Cl503

b:51.2
occ:1.00
 N A:ALA100 3.5 45.8 1.0
N D:THR212 3.6 46.0 1.0
CA D:ASP211 3.7 49.9 1.0
CA A:THR99 3.9 44.4 1.0
NH1 A:ARG152 3.9 105.3 1.0
CB A:THR99 3.9 46.1 1.0
C D:ASP211 4.0 47.8 1.0
CB A:ALA100 4.1 42.3 1.0
CB D:ASP211 4.1 53.5 1.0
OG1 D:THR212 4.1 48.8 1.0
CB D:THR212 4.3 44.7 1.0
C A:THR99 4.3 45.5 1.0
CA A:ALA100 4.5 45.3 1.0
CG2 A:THR99 4.5 48.1 1.0
CA D:THR212 4.5 42.4 1.0
O D:PHE210 4.8 49.8 1.0
O D:ASP211 4.9 44.3 1.0
O A:VAL98 5.0 39.1 1.0
N D:ASP211 5.0 46.9 1.0
CZ A:ARG152 5.0 111.7 1.0

Chlorine binding site 2 out of 6 in 8cq6

Go back to Chlorine Binding Sites List in 8cq6
Chlorine binding site 2 out of 6 in the Bifunctional Cyclohexadienyl Dehydratase/Chorismate Mutase From Duganella Sacchari


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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:Cl504

b:62.4
occ:1.00
 N A:ALA255 3.4 49.0 1.0
NH1 A:ARG196 3.4 84.1 1.0
CB A:ALA255 3.4 54.8 1.0
N A:TRP254 3.5 45.3 1.0
CZ A:ARG196 3.6 75.2 1.0
CA A:PRO253 3.7 49.3 1.0
CG2 A:THR372 3.8 100.5 1.0
C A:PRO253 3.8 46.8 1.0
NH2 A:ARG196 3.9 74.5 1.0
CD2 A:LEU197 3.9 54.3 1.0
CA A:ALA255 4.0 53.5 1.0
O A:TYR252 4.2 58.0 1.0
CD A:ARG196 4.3 65.0 1.0
NE A:ARG196 4.3 68.6 1.0
CA A:TRP254 4.3 44.0 1.0
C A:TRP254 4.4 45.3 1.0
OG1 A:THR372 4.6 95.2 1.0
CB A:PRO253 4.6 51.8 1.0
CB A:TRP254 4.6 42.7 1.0
O A:PRO253 4.7 45.6 1.0
N A:PRO253 4.7 53.0 1.0
CB A:THR372 4.8 99.6 1.0
C A:TYR252 4.9 55.8 1.0

Chlorine binding site 3 out of 6 in 8cq6

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Chlorine binding site 3 out of 6 in the Bifunctional Cyclohexadienyl Dehydratase/Chorismate Mutase From Duganella Sacchari


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Bifunctional Cyclohexadienyl Dehydratase/Chorismate Mutase From Duganella Sacchari within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl505

b:48.7
occ:1.00
 N A:SER97 3.1 37.9 1.0
NH1 A:ARG102 3.2 42.9 1.0
CB A:SER97 3.4 41.6 1.0
OG A:SER97 3.6 40.4 1.0
CG2 A:THR149 3.6 50.7 1.0
OG1 A:THR149 3.7 47.5 1.0
NH2 A:ARG102 3.7 41.9 1.0
NZ A:LYS215 3.8 45.4 1.0
CA A:SER97 3.8 41.8 1.0
CZ A:ARG102 3.9 42.7 1.0
O A:GLY95 3.9 43.6 1.0
C A:VAL96 4.1 38.1 1.0
CA A:VAL96 4.2 38.2 1.0
CH2 A:TRP77 4.2 44.6 1.0
CZ3 A:TRP77 4.2 44.2 1.0
CB A:THR149 4.3 50.7 1.0
O A:SER97 4.7 45.8 1.0
N A:THR149 4.7 56.9 1.0
C A:SER97 4.8 43.4 1.0
CZ2 A:TRP77 4.8 44.7 1.0
CE3 A:TRP77 4.9 43.1 1.0
C A:GLY95 4.9 42.5 1.0

Chlorine binding site 4 out of 6 in 8cq6

Go back to Chlorine Binding Sites List in 8cq6
Chlorine binding site 4 out of 6 in the Bifunctional Cyclohexadienyl Dehydratase/Chorismate Mutase From Duganella Sacchari


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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:Cl503

b:51.3
occ:1.00
 N B:SER97 3.3 41.6 1.0
NH1 B:ARG102 3.4 36.6 1.0
CB B:SER97 3.7 44.2 1.0
OG1 B:THR149 3.7 54.5 1.0
NH2 B:ARG102 3.7 39.5 1.0
CG2 B:THR149 3.7 52.7 1.0
OG B:SER97 3.8 49.8 1.0
NZ B:LYS215 3.9 48.4 1.0
O B:GLY95 4.0 38.6 1.0
CZ B:ARG102 4.0 38.6 1.0
CH2 B:TRP77 4.1 55.6 1.0
CA B:SER97 4.1 44.0 1.0
CZ3 B:TRP77 4.1 55.8 1.0
C B:VAL96 4.3 39.4 1.0
CB B:THR149 4.3 52.2 1.0
CA B:VAL96 4.3 38.9 1.0
CZ2 B:TRP77 4.6 55.2 1.0
O B:HOH615 4.6 37.5 1.0
N B:THR149 4.6 52.5 1.0
CE3 B:TRP77 4.6 54.5 1.0
O B:SER97 4.9 45.0 1.0
C B:GLY95 4.9 40.2 1.0

Chlorine binding site 5 out of 6 in 8cq6

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Chlorine binding site 5 out of 6 in the Bifunctional Cyclohexadienyl Dehydratase/Chorismate Mutase From Duganella Sacchari


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Bifunctional Cyclohexadienyl Dehydratase/Chorismate Mutase From Duganella Sacchari within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl501

b:51.3
occ:1.00
 OG1 C:THR149 3.3 77.7 1.0
NH1 C:ARG102 3.4 61.4 1.0
N C:SER97 3.4 51.4 1.0
CG2 C:THR149 3.4 77.8 1.0
CB C:SER97 3.6 53.9 1.0
NH2 C:ARG102 3.7 67.4 1.0
OG C:SER97 3.8 55.6 1.0
CB C:THR149 3.9 76.7 1.0
CZ C:ARG102 4.0 61.7 1.0
O C:GLY95 4.1 53.8 1.0
CA C:SER97 4.1 52.8 1.0
CH2 C:TRP77 4.3 71.6 1.0
CZ3 C:TRP77 4.4 68.5 1.0
C C:VAL96 4.4 51.6 1.0
CA C:VAL96 4.4 51.7 1.0
N C:THR149 4.5 78.6 1.0
OD2 C:ASP187 4.7 59.7 1.0
NZ C:LYS117 4.8 46.5 1.0
CZ2 C:TRP77 4.8 72.9 1.0
CA C:THR149 4.9 78.7 1.0
CE3 C:TRP77 4.9 67.6 1.0
O C:SER97 4.9 59.4 1.0

Chlorine binding site 6 out of 6 in 8cq6

Go back to Chlorine Binding Sites List in 8cq6
Chlorine binding site 6 out of 6 in the Bifunctional Cyclohexadienyl Dehydratase/Chorismate Mutase From Duganella Sacchari


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Bifunctional Cyclohexadienyl Dehydratase/Chorismate Mutase From Duganella Sacchari within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl501

b:44.7
occ:1.00
 N D:SER97 3.1 41.8 1.0
NH1 D:ARG102 3.2 43.2 1.0
CB D:SER97 3.5 44.3 1.0
NH2 D:ARG102 3.6 42.0 1.0
CG2 D:THR149 3.6 56.1 1.0
OG D:SER97 3.7 47.9 1.0
OG1 D:THR149 3.7 54.7 1.0
NZ D:LYS215 3.8 51.0 1.0
CA D:SER97 3.9 42.8 1.0
CZ D:ARG102 3.9 43.5 1.0
O D:GLY95 4.0 46.3 1.0
C D:VAL96 4.1 42.0 1.0
CA D:VAL96 4.2 45.3 1.0
CH2 D:TRP77 4.2 58.1 1.0
CZ3 D:TRP77 4.2 55.6 1.0
CB D:THR149 4.3 55.4 1.0
O D:SER97 4.7 42.9 1.0
N D:THR149 4.7 56.6 1.0
C D:SER97 4.8 42.4 1.0
CZ2 D:TRP77 4.8 61.5 1.0
CE3 D:TRP77 4.8 56.1 1.0
C D:GLY95 4.9 45.1 1.0
CG1 D:VAL96 5.0 50.4 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: Tue Jul 30 08:05:41 2024

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