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Chlorine in PDB 4eu6: Succinyl-Coa:Acetate Coa-Transferase (AARCH6) in Complex with Coa, Acetate, and Covalent Acetylglutamyl Anhydride and Glutamyl-Coa Thioester Adducts

Enzymatic activity of Succinyl-Coa:Acetate Coa-Transferase (AARCH6) in Complex with Coa, Acetate, and Covalent Acetylglutamyl Anhydride and Glutamyl-Coa Thioester Adducts

All present enzymatic activity of Succinyl-Coa:Acetate Coa-Transferase (AARCH6) in Complex with Coa, Acetate, and Covalent Acetylglutamyl Anhydride and Glutamyl-Coa Thioester Adducts:
2.8.3.18;

Protein crystallography data

The structure of Succinyl-Coa:Acetate Coa-Transferase (AARCH6) in Complex with Coa, Acetate, and Covalent Acetylglutamyl Anhydride and Glutamyl-Coa Thioester Adducts, PDB code: 4eu6 was solved by E.A.Mullins, T.J.Kappock, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.75 / 1.99
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 67.168, 110.414, 119.823, 90.00, 90.00, 90.00
R / Rfree (%) 16.4 / 20.9

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Succinyl-Coa:Acetate Coa-Transferase (AARCH6) in Complex with Coa, Acetate, and Covalent Acetylglutamyl Anhydride and Glutamyl-Coa Thioester Adducts (pdb code 4eu6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Succinyl-Coa:Acetate Coa-Transferase (AARCH6) in Complex with Coa, Acetate, and Covalent Acetylglutamyl Anhydride and Glutamyl-Coa Thioester Adducts, PDB code: 4eu6:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 4eu6

Go back to Chlorine Binding Sites List in 4eu6
Chlorine binding site 1 out of 4 in the Succinyl-Coa:Acetate Coa-Transferase (AARCH6) in Complex with Coa, Acetate, and Covalent Acetylglutamyl Anhydride and Glutamyl-Coa Thioester Adducts


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Succinyl-Coa:Acetate Coa-Transferase (AARCH6) in Complex with Coa, Acetate, and Covalent Acetylglutamyl Anhydride and Glutamyl-Coa Thioester Adducts within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl515

b:21.8
occ:1.00
ND2 A:ASN125 3.0 18.2 1.0
O B:HOH590 3.1 18.5 1.0
N B:GLY443 3.3 13.8 1.0
NH1 A:ARG120 3.5 13.9 1.0
ND2 A:ASN112 3.6 15.7 1.0
CD A:ARG120 3.6 16.5 1.0
OD1 A:ASN112 3.8 15.7 1.0
CA B:GLY443 3.9 16.8 1.0
CB A:ASN125 3.9 16.4 1.0
CG A:ASN125 4.0 19.6 1.0
CG A:ASN112 4.1 12.6 1.0
C B:ARG442 4.3 16.5 1.0
CA B:ARG442 4.4 17.2 1.0
CZ A:ARG120 4.5 16.6 1.0
NE A:ARG120 4.5 17.1 1.0
CD2 A:PHE110 4.5 14.2 1.0
CE2 A:PHE110 4.6 15.1 1.0
CG A:ARG120 4.6 14.2 1.0
CB A:ARG120 4.7 16.2 1.0
O B:HOH545 4.8 13.3 1.0
O B:HOH582 4.9 14.1 1.0
CB B:ARG442 4.9 18.6 1.0
C B:GLY443 4.9 16.0 1.0

Chlorine binding site 2 out of 4 in 4eu6

Go back to Chlorine Binding Sites List in 4eu6
Chlorine binding site 2 out of 4 in the Succinyl-Coa:Acetate Coa-Transferase (AARCH6) in Complex with Coa, Acetate, and Covalent Acetylglutamyl Anhydride and Glutamyl-Coa Thioester Adducts


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Succinyl-Coa:Acetate Coa-Transferase (AARCH6) in Complex with Coa, Acetate, and Covalent Acetylglutamyl Anhydride and Glutamyl-Coa Thioester Adducts within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl516

b:35.8
occ:1.00
O A:HOH844 2.9 31.3 1.0
N A:VAL196 3.2 22.9 1.0
NH2 B:ARG354 3.3 28.5 1.0
NH2 A:ARG354 3.4 22.8 1.0
O B:HOH789 3.7 22.0 1.0
O A:VAL196 3.9 28.0 1.0
CG2 A:VAL196 3.9 33.6 1.0
CA A:ILE195 4.0 22.4 1.0
CB A:VAL196 4.0 29.2 1.0
CA A:VAL196 4.0 25.0 1.0
NE B:ARG354 4.0 21.8 1.0
C A:ILE195 4.1 25.3 1.0
CZ B:ARG354 4.2 21.1 1.0
CG2 A:ILE195 4.4 22.9 1.0
C A:VAL196 4.4 22.0 1.0
O A:ASP194 4.5 17.7 1.0
CZ A:ARG354 4.5 23.7 1.0
O A:HOH1045 4.6 33.2 1.0
CB A:ILE195 4.7 23.6 1.0
NH1 A:ARG354 4.8 23.1 1.0
CL B:CL516 4.8 31.6 1.0

Chlorine binding site 3 out of 4 in 4eu6

Go back to Chlorine Binding Sites List in 4eu6
Chlorine binding site 3 out of 4 in the Succinyl-Coa:Acetate Coa-Transferase (AARCH6) in Complex with Coa, Acetate, and Covalent Acetylglutamyl Anhydride and Glutamyl-Coa Thioester Adducts


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Succinyl-Coa:Acetate Coa-Transferase (AARCH6) in Complex with Coa, Acetate, and Covalent Acetylglutamyl Anhydride and Glutamyl-Coa Thioester Adducts within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl515

b:22.0
occ:1.00
O B:HOH644 3.1 16.6 1.0
ND2 B:ASN125 3.2 14.6 1.0
NH1 B:ARG120 3.3 12.1 1.0
N A:GLY443 3.4 13.0 1.0
ND2 B:ASN112 3.5 12.5 1.0
CD B:ARG120 3.7 12.6 1.0
CB B:ASN125 4.0 14.9 1.0
CA A:GLY443 4.1 17.7 1.0
CG B:ASN125 4.1 17.1 1.0
CZ B:ARG120 4.3 16.8 1.0
OD1 B:ASN112 4.3 21.7 1.0
CA A:ARG442 4.3 13.8 1.0
C A:ARG442 4.3 13.2 1.0
CG B:ASN112 4.4 19.1 1.0
CE2 B:PHE110 4.4 14.6 1.0
CD2 B:PHE110 4.4 14.3 1.0
NE B:ARG120 4.4 15.1 1.0
CG B:ARG120 4.7 14.5 1.0
O B:HOH577 4.7 11.9 1.0
CB B:ARG120 4.8 12.1 1.0
O A:HOH559 4.8 13.9 1.0
CB A:ARG442 4.9 15.6 1.0
CE1 B:TYR126 5.0 14.8 1.0

Chlorine binding site 4 out of 4 in 4eu6

Go back to Chlorine Binding Sites List in 4eu6
Chlorine binding site 4 out of 4 in the Succinyl-Coa:Acetate Coa-Transferase (AARCH6) in Complex with Coa, Acetate, and Covalent Acetylglutamyl Anhydride and Glutamyl-Coa Thioester Adducts


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Succinyl-Coa:Acetate Coa-Transferase (AARCH6) in Complex with Coa, Acetate, and Covalent Acetylglutamyl Anhydride and Glutamyl-Coa Thioester Adducts within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl516

b:31.6
occ:1.00
O B:HOH865 2.8 33.1 1.0
NH2 B:ARG354 3.0 28.5 1.0
N B:VAL196 3.1 20.8 1.0
NH2 A:ARG354 3.4 22.8 1.0
O B:VAL196 3.9 27.3 1.0
CA B:ILE195 4.0 21.0 1.0
CA B:VAL196 4.0 22.7 1.0
CB B:VAL196 4.0 28.0 1.0
C B:ILE195 4.0 23.0 1.0
CZ B:ARG354 4.1 21.1 1.0
CG2 B:ILE195 4.2 22.0 1.0
O A:HOH770 4.2 25.4 1.0
CG2 B:VAL196 4.2 23.8 1.0
CZ A:ARG354 4.3 23.7 1.0
NE A:ARG354 4.3 23.7 1.0
C B:VAL196 4.4 24.3 1.0
NH1 B:ARG354 4.4 22.5 1.0
O B:ASP194 4.6 19.3 1.0
CB B:ILE195 4.6 23.2 1.0
CL A:CL516 4.8 35.8 1.0
O B:HOH1060 5.0 30.8 1.0

Reference:

E.A.Mullins, T.J.Kappock. Crystal Structures of Acetobacter Aceti Succinyl-Coenzyme A (Coa):Acetate Coa-Transferase Reveal Specificity Determinants and Illustrate the Mechanism Used By Class I Coa-Transferases. Biochemistry V. 51 8422 2012.
ISSN: ISSN 0006-2960
PubMed: 23030530
DOI: 10.1021/BI300957F
Page generated: Fri Jul 11 15:02:48 2025

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