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Chlorine in PDB 4eu7: Succinyl-Coa:Acetate Coa-Transferase (AARCH6) in Complex with Coa and Citrate

Enzymatic activity of Succinyl-Coa:Acetate Coa-Transferase (AARCH6) in Complex with Coa and Citrate

All present enzymatic activity of Succinyl-Coa:Acetate Coa-Transferase (AARCH6) in Complex with Coa and Citrate:
2.8.3.18;

Protein crystallography data

The structure of Succinyl-Coa:Acetate Coa-Transferase (AARCH6) in Complex with Coa and Citrate, PDB code: 4eu7 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) 28.80 / 1.70
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 67.415, 110.850, 120.373, 90.00, 90.00, 90.00
R / Rfree (%) 15.6 / 19.4

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Succinyl-Coa:Acetate Coa-Transferase (AARCH6) in Complex with Coa and Citrate (pdb code 4eu7). 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 and Citrate, PDB code: 4eu7:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 4eu7

Go back to Chlorine Binding Sites List in 4eu7
Chlorine binding site 1 out of 4 in the Succinyl-Coa:Acetate Coa-Transferase (AARCH6) in Complex with Coa and Citrate


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 and Citrate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl515

b:15.6
occ:1.00
O B:HOH638 3.1 14.9 1.0
ND2 A:ASN125 3.2 14.4 1.0
N B:GLY443 3.3 10.1 1.0
ND2 A:ASN112 3.4 13.8 1.0
NH1 A:ARG120 3.5 8.6 1.0
CD A:ARG120 3.8 9.4 1.0
CA B:GLY443 3.8 9.7 1.0
CB A:ASN125 3.8 12.5 1.0
OD1 A:ASN112 3.9 9.4 1.0
CG A:ASN125 4.0 13.3 1.0
CG A:ASN112 4.1 7.7 1.0
C B:ARG442 4.3 11.4 1.0
CA B:ARG442 4.4 11.0 1.0
CZ A:ARG120 4.5 10.2 1.0
CD2 A:PHE110 4.5 10.2 1.0
NE A:ARG120 4.6 9.1 1.0
CE2 A:PHE110 4.6 11.0 1.0
CB A:ARG120 4.6 8.6 1.0
CG A:ARG120 4.6 7.9 1.0
CB B:ARG442 4.9 13.0 1.0
C B:GLY443 4.9 11.5 1.0
O B:HOH535 4.9 10.1 1.0

Chlorine binding site 2 out of 4 in 4eu7

Go back to Chlorine Binding Sites List in 4eu7
Chlorine binding site 2 out of 4 in the Succinyl-Coa:Acetate Coa-Transferase (AARCH6) in Complex with Coa and Citrate


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 and Citrate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl516

b:31.3
occ:1.00
O A:HOH1068 2.8 29.1 1.0
N A:VAL196 3.3 18.6 1.0
NH2 A:ARG354 3.4 20.5 1.0
NH1 B:ARG354 3.4 24.7 1.0
O B:HOH668 3.6 18.9 1.0
CG2 A:VAL196 3.8 27.2 1.0
O A:HOH1356 3.8 27.8 1.0
O A:VAL196 3.9 23.6 1.0
CA A:ILE195 4.0 17.7 1.0
C A:ILE195 4.1 14.6 1.0
CB A:VAL196 4.1 27.6 1.0
CA A:VAL196 4.2 16.2 1.0
CG2 A:ILE195 4.3 16.0 1.0
C A:VAL196 4.4 20.3 1.0
CZ A:ARG354 4.5 21.8 1.0
O A:ASP194 4.6 16.0 1.0
CZ B:ARG354 4.6 18.8 1.0
CB A:ILE195 4.7 18.4 1.0
CD B:ARG354 4.7 26.8 1.0
NH1 A:ARG354 4.7 21.9 1.0
O B:HOH1480 4.9 31.9 1.0
CL B:CL516 5.0 26.2 1.0

Chlorine binding site 3 out of 4 in 4eu7

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Chlorine binding site 3 out of 4 in the Succinyl-Coa:Acetate Coa-Transferase (AARCH6) in Complex with Coa and Citrate


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 and Citrate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl515

b:13.8
occ:1.00
O A:HOH628 3.2 11.8 1.0
N A:GLY443 3.2 8.5 1.0
ND2 B:ASN125 3.3 12.0 1.0
NH1 B:ARG120 3.3 8.7 1.0
ND2 B:ASN112 3.5 11.6 1.0
CD B:ARG120 3.7 10.4 1.0
CA A:GLY443 3.9 9.6 1.0
CB B:ASN125 3.9 11.3 1.0
CG B:ASN125 4.1 12.9 1.0
C A:ARG442 4.2 11.3 1.0
CA A:ARG442 4.3 8.4 1.0
OD1 B:ASN112 4.3 19.6 1.0
CZ B:ARG120 4.4 11.6 1.0
CG B:ASN112 4.4 13.1 1.0
CD2 B:PHE110 4.5 12.6 1.0
NE B:ARG120 4.5 11.7 1.0
CE2 B:PHE110 4.5 13.5 1.0
CG B:ARG120 4.7 10.1 1.0
O A:HOH548 4.8 8.3 1.0
CB B:ARG120 4.8 9.4 1.0
CB A:ARG442 4.9 11.3 1.0
O A:HOH607 4.9 10.1 1.0
C A:GLY443 5.0 11.8 1.0
CE1 B:TYR126 5.0 14.4 1.0

Chlorine binding site 4 out of 4 in 4eu7

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Chlorine binding site 4 out of 4 in the Succinyl-Coa:Acetate Coa-Transferase (AARCH6) in Complex with Coa and Citrate


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 and Citrate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl516

b:26.2
occ:1.00
O A:HOH1356 2.8 27.8 1.0
O B:HOH831 3.0 20.1 1.0
N B:VAL196 3.2 15.4 1.0
O B:HOH1231 3.5 28.2 1.0
NH1 B:ARG354 3.6 24.7 1.0
NH2 A:ARG354 3.7 20.5 1.0
O B:VAL196 3.9 23.3 1.0
CB B:VAL196 4.0 20.8 1.0
NH2 B:ARG354 4.0 20.4 1.0
CA B:ILE195 4.0 14.9 1.0
CA B:VAL196 4.0 15.0 1.0
C B:ILE195 4.1 17.3 1.0
CG2 B:ILE195 4.1 17.6 1.0
CG2 B:VAL196 4.2 21.8 1.0
CZ B:ARG354 4.3 18.8 1.0
C B:VAL196 4.4 17.8 1.0
O A:HOH704 4.5 16.0 1.0
CB B:ILE195 4.6 18.4 1.0
CZ A:ARG354 4.6 21.8 1.0
NE A:ARG354 4.7 19.0 1.0
O B:ASP194 4.7 16.1 1.0
CG1 B:ILE351 4.7 13.3 1.0
CL A:CL516 5.0 31.3 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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