Chlorine in PDB 4eu8: Succinyl-Coa:Acetate Coa-Transferase (AARCH6-S71A) in Complex with Coa

All present enzymatic activity of Succinyl-Coa:Acetate Coa-Transferase (AARCH6-S71A) in Complex with Coa:
2.8.3.18;

The structure of Succinyl-Coa:Acetate Coa-Transferase (AARCH6-S71A) in Complex with Coa, PDB code: 4eu8 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)	34.69 / 1.81
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	67.276, 109.667, 120.067, 90.00, 90.00, 90.00
R / Rfree (%)	18 / 22.6

The binding sites of Chlorine atom in the Succinyl-Coa:Acetate Coa-Transferase (AARCH6-S71A) in Complex with Coa (pdb code 4eu8). 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-S71A) in Complex with Coa, PDB code: 4eu8:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Succinyl-Coa:Acetate Coa-Transferase (AARCH6-S71A) in Complex with Coa


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-S71A) in Complex with Coa within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl515 b:15.8 occ:1.00 O B:HOH565 3.1 13.3 1.0 ND2 A:ASN125 3.2 16.3 1.0 N B:GLY443 3.3 15.3 1.0 NH1 A:ARG120 3.5 11.4 1.0 OD1 A:ASN112 3.7 20.8 1.0 CD A:ARG120 3.8 14.2 1.0 ND2 A:ASN112 3.9 8.9 1.0 CB A:ASN125 3.9 12.1 1.0 CA B:GLY443 3.9 12.9 1.0 CG A:ASN125 4.0 16.5 1.0 CG A:ASN112 4.2 13.0 1.0 C B:ARG442 4.2 14.0 1.0 CA B:ARG442 4.3 12.3 1.0 CZ A:ARG120 4.5 11.1 1.0 CD2 A:PHE110 4.5 11.6 1.0 CE2 A:PHE110 4.5 12.1 1.0 NE A:ARG120 4.6 12.5 1.0 CG A:ARG120 4.7 12.5 1.0 CB A:ARG120 4.8 13.0 1.0 CB B:ARG442 4.8 14.0 1.0 O B:HOH537 4.8 12.4 1.0 O B:HOH552 5.0 10.6 1.0 C B:GLY443 5.0 15.8 1.0

Chlorine binding site 2 out of 4 in the Succinyl-Coa:Acetate Coa-Transferase (AARCH6-S71A) in Complex with Coa


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-S71A) in Complex with Coa within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl516 b:33.6 occ:1.00 O A:HOH933 3.1 29.4 1.0 NH2 B:ARG354 3.2 26.9 1.0 N A:VAL196 3.2 21.0 1.0 NH2 A:ARG354 3.4 18.7 1.0 O B:HOH715 3.5 21.4 1.0 CG2 A:VAL196 3.9 27.1 1.0 O A:VAL196 3.9 24.7 1.0 CA A:ILE195 4.0 18.4 1.0 NE B:ARG354 4.0 23.1 1.0 CB A:VAL196 4.0 22.6 1.0 CZ B:ARG354 4.1 23.1 1.0 CA A:VAL196 4.1 22.1 1.0 C A:ILE195 4.1 20.9 1.0 CG2 A:ILE195 4.3 24.4 1.0 C A:VAL196 4.4 18.9 1.0 O A:ASP194 4.5 18.8 1.0 CZ A:ARG354 4.5 18.0 1.0 O A:HOH921 4.6 29.3 1.0 CB A:ILE195 4.7 20.4 1.0 NH1 A:ARG354 4.9 23.7 1.0 CL B:CL516 4.9 30.2 1.0

Chlorine binding site 3 out of 4 in the Succinyl-Coa:Acetate Coa-Transferase (AARCH6-S71A) in Complex with Coa


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-S71A) in Complex with Coa within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl515 b:22.2 occ:1.00 O A:HOH647 3.2 15.8 1.0 N A:GLY443 3.2 12.1 1.0 ND2 B:ASN125 3.2 13.8 1.0 NH1 B:ARG120 3.3 11.4 1.0 ND2 B:ASN112 3.6 12.1 1.0 CD B:ARG120 3.7 12.7 1.0 CA A:GLY443 3.9 14.3 1.0 CB B:ASN125 3.9 14.2 1.0 CG B:ASN125 4.1 15.5 1.0 C A:ARG442 4.2 11.8 1.0 CA A:ARG442 4.3 7.7 1.0 CZ B:ARG120 4.3 13.4 1.0 OD1 B:ASN112 4.4 19.2 1.0 CG B:ASN112 4.4 15.3 1.0 NE B:ARG120 4.5 12.9 1.0 CD2 B:PHE110 4.5 11.8 1.0 CE2 B:PHE110 4.6 12.0 1.0 O A:HOH538 4.7 11.8 1.0 CG B:ARG120 4.8 10.7 1.0 CB B:ARG120 4.8 11.0 1.0 O A:HOH584 4.8 11.7 1.0 CB A:ARG442 4.8 11.9 1.0 CE1 B:TYR126 4.9 15.3 1.0 C A:GLY443 4.9 19.9 1.0 OH B:TYR126 5.0 21.6 1.0

Chlorine binding site 4 out of 4 in the Succinyl-Coa:Acetate Coa-Transferase (AARCH6-S71A) in Complex with Coa


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-S71A) in Complex with Coa within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl516 b:30.2 occ:1.00 O B:HOH666 3.1 25.4 1.0 NH2 B:ARG354 3.2 26.9 1.0 N B:VAL196 3.2 17.8 1.0 O B:HOH1156 3.5 28.3 1.0 NH2 A:ARG354 3.5 18.7 1.0 O B:VAL196 3.8 25.4 1.0 CB B:VAL196 3.9 25.8 1.0 CA B:VAL196 4.0 21.6 1.0 CA B:ILE195 4.1 18.4 1.0 C B:ILE195 4.1 21.8 1.0 O A:HOH653 4.1 18.1 1.0 CG2 B:VAL196 4.2 25.7 1.0 CZ B:ARG354 4.2 23.1 1.0 CG2 B:ILE195 4.2 20.6 1.0 C B:VAL196 4.4 21.4 1.0 NE A:ARG354 4.4 15.9 1.0 CZ A:ARG354 4.4 18.0 1.0 NH1 B:ARG354 4.5 21.0 1.0 O B:ASP194 4.6 17.3 1.0 CG1 B:ILE351 4.7 18.6 1.0 CB B:ILE195 4.7 16.1 1.0 CL A:CL516 4.9 33.6 1.0 O A:HOH846 5.0 29.1 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