Chlorine in PDB 5ddk: Succinyl-Coa:Acetate Coa-Transferase (AARCH6-N347A) in Complex with Coa

All present enzymatic activity of Succinyl-Coa:Acetate Coa-Transferase (AARCH6-N347A) in Complex with Coa:
2.8.3.18;

The structure of Succinyl-Coa:Acetate Coa-Transferase (AARCH6-N347A) in Complex with Coa, PDB code: 5ddk was solved by T.J.Kappock, E.A.Mullins, J.R.Murphy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.34 / 2.13
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	67.103, 109.775, 120.057, 90.00, 90.00, 90.00
R / Rfree (%)	14.5 / 19.2

The binding sites of Chlorine atom in the Succinyl-Coa:Acetate Coa-Transferase (AARCH6-N347A) in Complex with Coa (pdb code 5ddk). 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-N347A) in Complex with Coa, PDB code: 5ddk:
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-N347A) 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-N347A) in Complex with Coa within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:25.6 occ:1.00 O B:HOH970 3.0 15.0 1.0 ND2 A:ASN125 3.2 19.1 1.0 N B:GLY443 3.3 16.0 1.0 NH1 A:ARG120 3.4 13.0 1.0 ND2 A:ASN112 3.6 12.8 1.0 CD A:ARG120 3.7 20.1 1.0 OD1 A:ASN112 3.8 14.3 1.0 CB A:ASN125 3.8 16.7 1.0 CA B:GLY443 3.9 15.1 1.0 CG A:ASN125 4.0 20.0 1.0 CG A:ASN112 4.1 14.8 1.0 C B:ARG442 4.3 18.2 1.0 CA B:ARG442 4.4 19.3 1.0 CZ A:ARG120 4.5 18.9 1.0 CD2 A:PHE110 4.5 17.4 1.0 CE2 A:PHE110 4.5 16.5 1.0 NE A:ARG120 4.5 20.7 1.0 CB A:ARG120 4.7 19.4 1.0 CG A:ARG120 4.8 20.0 1.0 O B:HOH765 4.9 13.2 1.0 C B:GLY443 4.9 16.6 1.0 CB B:ARG442 4.9 18.2 1.0

Chlorine binding site 2 out of 4 in the Succinyl-Coa:Acetate Coa-Transferase (AARCH6-N347A) 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-N347A) in Complex with Coa within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl602 b:45.8 occ:1.00 N A:VAL196 3.2 25.2 1.0 NH2 A:ARG354 3.3 28.9 1.0 O B:HOH911 3.5 37.0 1.0 NH2 B:ARG354 3.6 36.1 1.0 O A:VAL196 3.9 31.3 1.0 CA A:ILE195 3.9 22.7 1.0 C A:ILE195 4.0 25.7 1.0 CA A:VAL196 4.1 28.8 1.0 CB A:VAL196 4.1 32.6 1.0 CG2 A:VAL196 4.2 34.6 1.0 CG2 A:ILE195 4.2 26.4 1.0 NE B:ARG354 4.3 30.2 1.0 C A:VAL196 4.3 27.3 1.0 CZ B:ARG354 4.4 33.9 1.0 CZ A:ARG354 4.5 26.7 1.0 O A:ASP194 4.5 17.2 1.0 CB A:ILE195 4.5 26.4 1.0 NH1 A:ARG354 4.7 23.6 1.0 CG1 A:ILE195 4.9 28.4 1.0

Chlorine binding site 3 out of 4 in the Succinyl-Coa:Acetate Coa-Transferase (AARCH6-N347A) 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-N347A) in Complex with Coa within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl601 b:27.1 occ:1.00 O A:HOH989 3.1 22.7 1.0 ND2 B:ASN125 3.2 16.3 1.0 N A:GLY443 3.2 15.4 1.0 NH1 B:ARG120 3.3 12.7 1.0 ND2 B:ASN112 3.6 18.6 1.0 CD B:ARG120 3.7 16.3 1.0 CA A:GLY443 3.9 16.5 1.0 CB B:ASN125 4.0 17.5 1.0 CG B:ASN125 4.0 20.0 1.0 C A:ARG442 4.2 16.1 1.0 CA A:ARG442 4.2 17.8 1.0 OD1 B:ASN112 4.2 24.8 1.0 CG B:ASN112 4.3 22.0 1.0 CZ B:ARG120 4.3 20.9 1.0 NE B:ARG120 4.5 19.4 1.0 CE2 B:PHE110 4.6 21.2 1.0 CD2 B:PHE110 4.6 22.2 1.0 O A:HOH765 4.6 12.8 1.0 O B:HOH902 4.7 19.1 1.0 CB A:ARG442 4.8 15.5 1.0 CG B:ARG120 4.8 19.5 1.0 CB B:ARG120 4.8 17.7 1.0 C A:GLY443 5.0 17.6 1.0

Chlorine binding site 4 out of 4 in the Succinyl-Coa:Acetate Coa-Transferase (AARCH6-N347A) 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-N347A) in Complex with Coa within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl602 b:34.4 occ:1.00 O B:HOH727 3.0 26.3 1.0 NH2 B:ARG354 3.1 36.1 1.0 N B:VAL196 3.4 22.2 1.0 NH2 A:ARG354 3.8 28.9 1.0 O B:VAL196 4.1 26.6 1.0 CA B:ILE195 4.1 23.5 1.0 CB B:VAL196 4.2 24.6 1.0 CZ B:ARG354 4.2 33.9 1.0 C B:ILE195 4.2 24.2 1.0 CG2 B:ILE195 4.2 22.3 1.0 CA B:VAL196 4.2 22.7 1.0 O A:HOH822 4.3 21.4 1.0 CG2 B:VAL196 4.3 22.7 1.0 NH1 B:ARG354 4.5 32.7 1.0 C B:VAL196 4.6 25.4 1.0 O B:ASP194 4.6 17.6 1.0 NE A:ARG354 4.7 24.4 1.0 CB B:ILE195 4.7 23.1 1.0 CG1 B:ILE351 4.7 21.7 1.0 CZ A:ARG354 4.7 26.7 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