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Chlorine in PDB 5bur: O-Succinylbenzoate Coenzyme A Synthetase (Mene) From Bacillus Subtilis, in Complex with Atp and Magnesium Ion

Enzymatic activity of O-Succinylbenzoate Coenzyme A Synthetase (Mene) From Bacillus Subtilis, in Complex with Atp and Magnesium Ion

All present enzymatic activity of O-Succinylbenzoate Coenzyme A Synthetase (Mene) From Bacillus Subtilis, in Complex with Atp and Magnesium Ion:
6.2.1.26;

Protein crystallography data

The structure of O-Succinylbenzoate Coenzyme A Synthetase (Mene) From Bacillus Subtilis, in Complex with Atp and Magnesium Ion, PDB code: 5bur was solved by Y.Chen, Y.Sun, H.Song, Z.Guo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 36.39 / 2.82
Space group P 43
Cell size a, b, c (Å), α, β, γ (°) 121.835, 121.835, 97.801, 90.00, 90.00, 90.00
R / Rfree (%) 20.4 / 25.2

Other elements in 5bur:

The structure of O-Succinylbenzoate Coenzyme A Synthetase (Mene) From Bacillus Subtilis, in Complex with Atp and Magnesium Ion also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the O-Succinylbenzoate Coenzyme A Synthetase (Mene) From Bacillus Subtilis, in Complex with Atp and Magnesium Ion (pdb code 5bur). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the O-Succinylbenzoate Coenzyme A Synthetase (Mene) From Bacillus Subtilis, in Complex with Atp and Magnesium Ion, PDB code: 5bur:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 5bur

Go back to Chlorine Binding Sites List in 5bur
Chlorine binding site 1 out of 6 in the O-Succinylbenzoate Coenzyme A Synthetase (Mene) From Bacillus Subtilis, in Complex with Atp and Magnesium Ion


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of O-Succinylbenzoate Coenzyme A Synthetase (Mene) From Bacillus Subtilis, in Complex with Atp and Magnesium Ion within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl501

b:88.9
occ:1.00
 CD A:PRO17 3.4 82.5 1.0
N A:GLU18 3.7 84.2 1.0
CA A:THR16 3.8 77.3 1.0
N A:PRO17 3.8 79.5 1.0
C A:THR16 3.8 73.6 1.0
CB A:GLU18 4.0 88.0 1.0
CB A:THR16 4.2 72.4 1.0
CA A:GLU18 4.3 83.6 1.0
CG2 A:THR16 4.5 72.5 1.0
N A:ARG19 4.5 80.3 1.0
CG A:GLU18 4.5 82.1 1.0
O A:THR16 4.5 73.1 1.0
C A:GLU18 4.6 81.1 1.0
C A:PRO17 4.7 83.4 1.0
O A:LEU15 4.7 85.3 1.0
CG A:PRO17 4.7 81.0 1.0
CA A:PRO17 4.8 83.6 1.0
CG A:ARG19 4.9 70.8 1.0

Chlorine binding site 2 out of 6 in 5bur

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Chlorine binding site 2 out of 6 in the O-Succinylbenzoate Coenzyme A Synthetase (Mene) From Bacillus Subtilis, in Complex with Atp and Magnesium Ion


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of O-Succinylbenzoate Coenzyme A Synthetase (Mene) From Bacillus Subtilis, in Complex with Atp and Magnesium Ion within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl502

b:80.4
occ:1.00
 OG A:SER175 2.9 47.5 1.0
O A:PHE171 3.4 48.1 1.0
SG A:CYS317 3.4 54.6 1.0
CG A:ASN342 3.4 47.8 1.0
CB A:ASN342 3.5 52.0 1.0
CG A:PRO341 3.6 48.6 1.0
CB A:SER175 3.6 46.8 1.0
ND2 A:ASN342 3.7 47.7 1.0
CB A:PHE171 3.8 46.8 1.0
C A:PHE171 3.8 48.8 1.0
OD1 A:ASN342 3.8 52.0 1.0
CD A:PRO341 3.9 51.8 1.0
N A:ASN342 4.0 46.5 1.0
O A:PHE315 4.1 52.7 1.0
CB A:SER316 4.2 50.0 1.0
N A:SER172 4.3 43.1 1.0
CA A:PHE171 4.3 45.0 1.0
CA A:ASN342 4.4 48.0 1.0
N A:PRO341 4.6 45.1 1.0
CB A:PRO341 4.6 47.7 1.0
CG A:PHE171 4.7 48.5 1.0
O A:HOH604 4.7 47.2 1.0
C A:PRO341 4.7 47.1 1.0
CA A:SER172 4.7 37.6 1.0
CD1 A:PHE171 4.8 46.0 1.0
CA A:SER175 4.9 44.0 1.0
CA A:PRO341 4.9 47.9 1.0
N A:SER175 5.0 40.0 1.0

Chlorine binding site 3 out of 6 in 5bur

Go back to Chlorine Binding Sites List in 5bur
Chlorine binding site 3 out of 6 in the O-Succinylbenzoate Coenzyme A Synthetase (Mene) From Bacillus Subtilis, in Complex with Atp and Magnesium Ion


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of O-Succinylbenzoate Coenzyme A Synthetase (Mene) From Bacillus Subtilis, in Complex with Atp and Magnesium Ion within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl503

b:0.2
occ:1.00
 O A:LYS420 3.8 0.0 1.0
C A:LYS420 4.4 0.9 1.0

Chlorine binding site 4 out of 6 in 5bur

Go back to Chlorine Binding Sites List in 5bur
Chlorine binding site 4 out of 6 in the O-Succinylbenzoate Coenzyme A Synthetase (Mene) From Bacillus Subtilis, in Complex with Atp and Magnesium Ion


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of O-Succinylbenzoate Coenzyme A Synthetase (Mene) From Bacillus Subtilis, in Complex with Atp and Magnesium Ion within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl501

b:74.7
occ:1.00
 CA B:THR16 3.5 57.8 1.0
C B:THR16 3.7 59.6 1.0
CB B:THR16 3.8 55.9 1.0
N B:GLU18 4.0 70.9 1.0
N B:PRO17 4.1 63.1 1.0
CD B:PRO17 4.1 65.1 1.0
O B:THR16 4.1 62.6 1.0
CG2 B:THR16 4.4 51.3 1.0
N B:ARG19 4.4 65.8 1.0
CB B:GLU18 4.6 71.7 1.0
CA B:GLU18 4.6 71.6 1.0
C B:GLU18 4.7 72.1 1.0
O B:LEU15 4.7 72.3 1.0
N B:THR16 4.8 60.8 1.0
CG B:PRO17 4.9 59.9 1.0
CB B:ARG19 5.0 60.3 1.0
C B:PRO17 5.0 68.8 1.0

Chlorine binding site 5 out of 6 in 5bur

Go back to Chlorine Binding Sites List in 5bur
Chlorine binding site 5 out of 6 in the O-Succinylbenzoate Coenzyme A Synthetase (Mene) From Bacillus Subtilis, in Complex with Atp and Magnesium Ion


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of O-Succinylbenzoate Coenzyme A Synthetase (Mene) From Bacillus Subtilis, in Complex with Atp and Magnesium Ion within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl502

b:93.5
occ:1.00
 O B:TYR209 3.3 59.2 1.0
O A:LEU178 3.5 55.8 1.0
CG2 B:ILE182 3.8 67.9 1.0
O B:THR183 4.4 74.9 1.0
C B:TYR209 4.4 57.2 1.0
C B:THR183 4.5 71.3 1.0
C A:LEU178 4.5 50.8 1.0
NH2 B:ARG19 4.5 74.7 1.0
CA B:GLU184 4.5 75.2 1.0
CB B:ILE182 4.6 59.8 1.0
N B:GLU184 4.6 74.4 1.0
N A:GLY181 4.8 49.3 1.0
CA A:GLY181 4.8 48.2 1.0
N B:THR183 4.9 64.8 1.0
CB B:TYR209 4.9 47.8 1.0
CA B:TYR209 4.9 52.9 1.0

Chlorine binding site 6 out of 6 in 5bur

Go back to Chlorine Binding Sites List in 5bur
Chlorine binding site 6 out of 6 in the O-Succinylbenzoate Coenzyme A Synthetase (Mene) From Bacillus Subtilis, in Complex with Atp and Magnesium Ion


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of O-Succinylbenzoate Coenzyme A Synthetase (Mene) From Bacillus Subtilis, in Complex with Atp and Magnesium Ion within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl503

b:96.3
occ:1.00
 O B:LEU178 3.4 68.7 1.0
O A:TYR209 3.6 59.8 1.0
NH1 A:ARG19 3.9 83.5 1.0
O A:THR183 3.9 76.7 1.0
C A:THR183 4.2 75.6 1.0
NH2 A:ARG19 4.3 90.4 1.0
C B:LEU178 4.4 64.9 1.0
N A:GLU184 4.5 78.2 1.0
CZ A:ARG19 4.6 87.5 1.0
CA A:GLU184 4.7 78.9 1.0
N B:GLY181 4.7 63.6 1.0
C A:TYR209 4.8 55.3 1.0
CG A:GLU184 4.8 88.5 1.0
O B:ASN179 4.8 72.2 1.0
CA B:GLY181 4.9 55.4 1.0
CA A:THR183 4.9 72.5 1.0
O B:ALA177 5.0 60.1 1.0

Reference:

Y.Chen, Y.Sun, H.Song, Z.Guo. Structural Basis For the Atp-Dependent Configuration of Adenylation Active Site in Bacillus Subtilis O-Succinylbenzoyl-Coa Synthetase J.Biol.Chem. V. 290 23971 2015.
ISSN: ESSN 1083-351X
PubMed: 26276389
DOI: 10.1074/JBC.M115.676304
Page generated: Fri Jul 26 05:41:34 2024

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