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

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

The structure of Succinyl-Coa:Acetate Coa-Transferase (Aarc) in Complex with Coa and Citrate, PDB code: 4eud 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)	42.82 / 1.95
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	67.653, 110.596, 119.923, 90.00, 90.00, 90.00
R / Rfree (%)	15.9 / 20.6

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

Chlorine binding site 1 out of 4 in the Succinyl-Coa:Acetate Coa-Transferase (Aarc) 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 (Aarc) in Complex with Coa and Citrate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl515 b:22.3 occ:1.00 O B:HOH681 3.0 20.5 1.0 ND2 A:ASN125 3.1 12.9 1.0 N B:GLY443 3.3 12.4 1.0 NH1 A:ARG120 3.4 13.7 1.0 ND2 A:ASN112 3.5 16.6 1.0 CD A:ARG120 3.7 11.9 1.0 CB A:ASN125 3.7 13.8 1.0 OD1 A:ASN112 3.8 12.1 1.0 CG A:ASN125 3.9 16.9 1.0 CA B:GLY443 3.9 12.4 1.0 CG A:ASN112 4.1 11.2 1.0 C B:ARG442 4.3 13.3 1.0 CA B:ARG442 4.4 14.9 1.0 CZ A:ARG120 4.4 12.4 1.0 NE A:ARG120 4.5 13.3 1.0 CG A:ARG120 4.6 12.6 1.0 CB A:ARG120 4.6 9.9 1.0 CD2 A:PHE110 4.6 13.1 1.0 CE2 A:PHE110 4.7 12.3 1.0 CB B:ARG442 4.9 12.0 1.0 O B:HOH573 4.9 13.7 1.0 C B:GLY443 5.0 12.6 1.0

Chlorine binding site 2 out of 4 in the Succinyl-Coa:Acetate Coa-Transferase (Aarc) 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 (Aarc) in Complex with Coa and Citrate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl516 b:33.1 occ:1.00 O A:HOH1017 2.8 24.8 1.0 N A:VAL196 3.2 21.5 1.0 NH2 A:ARG354 3.3 25.1 1.0 NH2 B:ARG354 3.3 30.5 1.0 O A:VAL196 3.7 26.1 1.0 CG2 A:VAL196 3.8 26.5 1.0 O B:HOH554 3.9 15.4 1.0 CA A:ILE195 4.0 17.2 1.0 CA A:VAL196 4.0 26.8 1.0 CB A:VAL196 4.0 24.8 1.0 C A:ILE195 4.0 21.7 1.0 CG2 A:ILE195 4.2 18.5 1.0 CZ B:ARG354 4.3 28.5 1.0 C A:VAL196 4.3 22.7 1.0 NE B:ARG354 4.3 21.7 1.0 CZ A:ARG354 4.4 19.5 1.0 CB A:ILE195 4.6 23.6 1.0 NH1 A:ARG354 4.6 20.6 1.0 O A:ASP194 4.7 18.9 1.0 CL B:CL516 4.9 30.7 1.0 CG1 A:ILE195 5.0 25.2 1.0

Chlorine binding site 3 out of 4 in the Succinyl-Coa:Acetate Coa-Transferase (Aarc) 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 (Aarc) in Complex with Coa and Citrate within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl515 b:20.0 occ:1.00 ND2 B:ASN125 3.1 18.4 1.0 O A:HOH704 3.1 14.6 1.0 N A:GLY443 3.3 14.0 1.0 NH1 B:ARG120 3.3 12.2 1.0 ND2 B:ASN112 3.5 15.1 1.0 CD B:ARG120 3.8 14.5 1.0 CB B:ASN125 3.9 16.0 1.0 CA A:GLY443 4.0 14.2 1.0 CG B:ASN125 4.0 18.4 1.0 OD1 B:ASN112 4.2 23.3 1.0 C A:ARG442 4.3 15.2 1.0 CA A:ARG442 4.3 11.9 1.0 CG B:ASN112 4.3 17.5 1.0 CZ B:ARG120 4.4 15.4 1.0 NE B:ARG120 4.5 14.5 1.0 CD2 B:PHE110 4.6 16.3 1.0 CE2 B:PHE110 4.7 13.9 1.0 O A:HOH620 4.8 13.5 1.0 CB B:ARG120 4.8 14.2 1.0 O A:HOH674 4.8 11.6 1.0 CB A:ARG442 4.8 16.6 1.0 CG B:ARG120 4.8 12.7 1.0

Chlorine binding site 4 out of 4 in the Succinyl-Coa:Acetate Coa-Transferase (Aarc) 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 (Aarc) in Complex with Coa and Citrate within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl516 b:30.7 occ:1.00 O B:HOH755 3.1 25.8 1.0 N B:VAL196 3.2 22.8 1.0 NH2 A:ARG354 3.3 25.1 1.0 NH2 B:ARG354 3.3 30.5 1.0 CB B:VAL196 3.8 25.3 1.0 O B:VAL196 3.9 20.9 1.0 CG2 B:VAL196 3.9 24.2 1.0 CA B:VAL196 3.9 18.7 1.0 CA B:ILE195 4.1 21.3 1.0 C B:ILE195 4.1 21.2 1.0 O A:HOH603 4.1 15.7 1.0 CZ A:ARG354 4.3 19.5 1.0 NE A:ARG354 4.3 17.4 1.0 CG2 B:ILE195 4.3 20.8 1.0 C B:VAL196 4.4 20.1 1.0 CZ B:ARG354 4.4 28.5 1.0 O B:ASP194 4.6 17.0 1.0 NH1 B:ARG354 4.6 21.4 1.0 CB B:ILE195 4.8 20.5 1.0 CL A:CL516 4.9 33.1 1.0

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