Chlorine in PDB 5e5h: Succinyl-Coa:Acetate Coa-Transferase (AARCH6) Bound to Acetate and Degradation Products From the Acetyl-Coa Analogue Dethiaacetyl-Coa

The structure of Succinyl-Coa:Acetate Coa-Transferase (AARCH6) Bound to Acetate and Degradation Products From the Acetyl-Coa Analogue Dethiaacetyl-Coa, PDB code: 5e5h 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)	41.39 / 2.05
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	67.192, 109.844, 119.682, 90.00, 90.00, 90.00
R / Rfree (%)	15.1 / 19.4

The binding sites of Chlorine atom in the Succinyl-Coa:Acetate Coa-Transferase (AARCH6) Bound to Acetate and Degradation Products From the Acetyl-Coa Analogue Dethiaacetyl-Coa (pdb code 5e5h). 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) Bound to Acetate and Degradation Products From the Acetyl-Coa Analogue Dethiaacetyl-Coa, PDB code: 5e5h:
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) Bound to Acetate and Degradation Products From the Acetyl-Coa Analogue Dethiaacetyl-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) Bound to Acetate and Degradation Products From the Acetyl-Coa Analogue Dethiaacetyl-Coa within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:26.5 occ:1.00 O B:HOH956 3.0 18.5 1.0 ND2 A:ASN125 3.1 17.2 1.0 N B:GLY443 3.2 14.8 1.0 NH1 A:ARG120 3.5 14.8 1.0 ND2 A:ASN112 3.5 14.3 1.0 CD A:ARG120 3.7 17.9 1.0 OD1 A:ASN112 3.9 14.4 1.0 CA B:GLY443 3.9 16.6 1.0 CB A:ASN125 4.0 17.4 1.0 CG A:ASN125 4.0 18.3 1.0 CG A:ASN112 4.1 14.7 1.0 C B:ARG442 4.2 14.8 1.0 CA B:ARG442 4.3 17.0 1.0 CZ A:ARG120 4.5 17.6 1.0 CD2 A:PHE110 4.5 14.1 1.0 CE2 A:PHE110 4.5 14.4 1.0 NE A:ARG120 4.6 17.6 1.0 CG A:ARG120 4.7 14.6 1.0 CB A:ARG120 4.7 14.1 1.0 O B:HOH748 4.8 10.8 1.0 CB B:ARG442 4.8 16.7 1.0 C B:GLY443 4.9 16.0 1.0 O B:HOH884 5.0 12.6 1.0

Chlorine binding site 2 out of 4 in the Succinyl-Coa:Acetate Coa-Transferase (AARCH6) Bound to Acetate and Degradation Products From the Acetyl-Coa Analogue Dethiaacetyl-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) Bound to Acetate and Degradation Products From the Acetyl-Coa Analogue Dethiaacetyl-Coa within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl602 b:38.0 occ:1.00 O A:HOH854 2.7 37.8 1.0 NH2 B:ARG354 3.3 30.4 1.0 NH2 A:ARG354 3.3 25.6 1.0 N A:VAL196 3.4 26.8 1.0 O B:HOH838 3.6 26.6 1.0 O A:VAL196 3.9 27.2 1.0 CG2 A:VAL196 3.9 33.5 1.0 CA A:ILE195 4.0 25.1 1.0 C A:ILE195 4.2 26.0 1.0 CZ B:ARG354 4.2 28.7 1.0 CA A:VAL196 4.2 29.2 1.0 NE B:ARG354 4.2 25.7 1.0 CB A:VAL196 4.2 31.7 1.0 CG2 A:ILE195 4.3 24.6 1.0 C A:VAL196 4.5 26.7 1.0 CZ A:ARG354 4.5 23.3 1.0 O A:ASP194 4.5 18.0 1.0 CB A:ILE195 4.7 25.4 1.0 NH1 A:ARG354 4.8 22.5 1.0 O B:HOH964 4.8 37.5 1.0 CL B:CL602 5.0 36.3 1.0

Chlorine binding site 3 out of 4 in the Succinyl-Coa:Acetate Coa-Transferase (AARCH6) Bound to Acetate and Degradation Products From the Acetyl-Coa Analogue Dethiaacetyl-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) Bound to Acetate and Degradation Products From the Acetyl-Coa Analogue Dethiaacetyl-Coa within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl601 b:23.8 occ:1.00 O A:HOH974 3.1 19.6 1.0 N A:GLY443 3.1 13.7 1.0 ND2 B:ASN125 3.3 16.7 1.0 NH1 B:ARG120 3.4 15.4 1.0 CD B:ARG120 3.8 16.9 1.0 ND2 B:ASN112 3.8 14.0 1.0 CA A:GLY443 3.8 15.9 1.0 CB B:ASN125 3.9 18.4 1.0 CG B:ASN125 4.1 19.4 1.0 C A:ARG442 4.1 16.4 1.0 OD1 B:ASN112 4.2 26.2 1.0 CA A:ARG442 4.2 15.1 1.0 CG B:ASN112 4.4 18.3 1.0 CZ B:ARG120 4.4 17.3 1.0 CD2 B:PHE110 4.5 16.3 1.0 NE B:ARG120 4.6 17.1 1.0 CE2 B:PHE110 4.6 17.0 1.0 O A:HOH752 4.7 15.6 1.0 O B:HOH902 4.8 17.3 1.0 CB A:ARG442 4.8 16.4 1.0 CB B:ARG120 4.8 10.8 1.0 CG B:ARG120 4.8 14.1 1.0 C A:GLY443 4.9 16.6 1.0 CE1 B:TYR126 5.0 21.1 1.0

Chlorine binding site 4 out of 4 in the Succinyl-Coa:Acetate Coa-Transferase (AARCH6) Bound to Acetate and Degradation Products From the Acetyl-Coa Analogue Dethiaacetyl-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) Bound to Acetate and Degradation Products From the Acetyl-Coa Analogue Dethiaacetyl-Coa within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl602 b:36.3 occ:1.00 O B:HOH852 2.8 32.2 1.0 NH2 B:ARG354 3.2 30.4 1.0 N B:VAL196 3.3 23.5 1.0 NH2 A:ARG354 3.7 25.6 1.0 O B:VAL196 3.9 29.4 1.0 CA B:ILE195 4.0 23.7 1.0 CG2 B:ILE195 4.1 22.9 1.0 CB B:VAL196 4.1 26.4 1.0 C B:ILE195 4.1 23.0 1.0 CG2 B:VAL196 4.1 24.7 1.0 CA B:VAL196 4.1 25.1 1.0 CZ B:ARG354 4.2 28.7 1.0 O A:HOH754 4.3 17.7 1.0 NH1 B:ARG354 4.4 28.6 1.0 C B:VAL196 4.4 27.1 1.0 CB B:ILE195 4.6 23.4 1.0 NE A:ARG354 4.6 22.2 1.0 CZ A:ARG354 4.6 23.3 1.0 O B:ASP194 4.6 18.3 1.0 CG1 B:ILE351 4.9 19.1 1.0 CL A:CL602 5.0 38.0 1.0

J.R.Murphy, E.A.Mullins, T.J.Kappock. Functional Dissection of the Bipartite Active Site of the Class I Coenzyme A (Coa)-Transferase Succinyl-Coa:Acetate Coa-Transferase. Front Chem V. 4 23 2016.
ISSN: ISSN 2296-2646
PubMed: 27242998
DOI: 10.3389/FCHEM.2016.00023