Chlorine in PDB 4eu5: Succinyl-Coa:Acetate Coa-Transferase (AARCH6) in Complex with Coa

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

The structure of Succinyl-Coa:Acetate Coa-Transferase (AARCH6) in Complex with Coa, PDB code: 4eu5 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)	42.80 / 1.74
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	67.605, 110.562, 119.463, 90.00, 90.00, 90.00
R / Rfree (%)	16.7 / 20.9

The binding sites of Chlorine atom in the Succinyl-Coa:Acetate Coa-Transferase (AARCH6) in Complex with Coa (pdb code 4eu5). 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, PDB code: 4eu5:
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) 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) in Complex with Coa within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl515 b:19.3 occ:1.00 O B:HOH676 3.0 16.8 1.0 ND2 A:ASN125 3.2 14.1 1.0 N B:GLY443 3.3 12.1 1.0 NH1 A:ARG120 3.5 11.1 1.0 ND2 A:ASN112 3.5 16.1 1.0 OD1 A:ASN112 3.8 11.0 1.0 CD A:ARG120 3.8 12.0 1.0 CB A:ASN125 3.9 13.0 1.0 CA B:GLY443 3.9 12.8 1.0 CG A:ASN125 4.0 14.6 1.0 CG A:ASN112 4.1 7.5 1.0 C B:ARG442 4.3 10.6 1.0 CA B:ARG442 4.5 9.3 1.0 CZ A:ARG120 4.5 9.7 1.0 CD2 A:PHE110 4.5 8.9 1.0 CE2 A:PHE110 4.6 10.3 1.0 NE A:ARG120 4.6 11.3 1.0 CG A:ARG120 4.6 8.9 1.0 CB A:ARG120 4.6 8.6 1.0 O B:HOH538 4.8 9.5 1.0 C B:GLY443 4.9 10.0 1.0 O B:HOH577 5.0 9.8 1.0

Chlorine binding site 2 out of 4 in the Succinyl-Coa:Acetate Coa-Transferase (AARCH6) 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) in Complex with Coa within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl516 b:34.4 occ:1.00 O A:HOH1330 2.8 27.7 1.0 N A:VAL196 3.3 19.9 1.0 NH2 B:ARG354 3.4 24.3 1.0 NH2 A:ARG354 3.5 20.8 1.0 O B:HOH723 3.7 16.9 1.0 O A:VAL196 3.9 22.6 1.0 CG2 A:VAL196 4.0 25.3 1.0 CA A:ILE195 4.0 17.9 1.0 CB A:VAL196 4.1 25.0 1.0 CA A:VAL196 4.2 19.1 1.0 C A:ILE195 4.2 16.9 1.0 NE B:ARG354 4.3 19.7 1.0 CG2 A:ILE195 4.3 14.4 1.0 CZ B:ARG354 4.3 18.3 1.0 C A:VAL196 4.4 20.0 1.0 O A:HOH1418 4.6 32.6 1.0 CZ A:ARG354 4.6 18.3 1.0 O A:ASP194 4.6 14.8 1.0 CB A:ILE195 4.7 16.8 1.0 NH1 A:ARG354 4.8 22.6 1.0

Chlorine binding site 3 out of 4 in the Succinyl-Coa:Acetate Coa-Transferase (AARCH6) 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) in Complex with Coa within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl515 b:20.0 occ:1.00 O A:HOH642 3.1 12.4 1.0 ND2 B:ASN125 3.3 11.4 1.0 N A:GLY443 3.3 9.7 1.0 NH1 B:ARG120 3.3 8.6 1.0 ND2 B:ASN112 3.7 9.7 1.0 CD B:ARG120 3.8 10.4 1.0 CA A:GLY443 3.9 11.4 1.0 CB B:ASN125 4.0 9.6 1.0 CG B:ASN125 4.1 13.0 1.0 C A:ARG442 4.3 10.0 1.0 CA A:ARG442 4.3 7.7 1.0 OD1 B:ASN112 4.3 18.9 1.0 CZ B:ARG120 4.4 9.7 1.0 CG B:ASN112 4.4 10.7 1.0 CD2 B:PHE110 4.5 10.3 1.0 CE2 B:PHE110 4.5 10.4 1.0 NE B:ARG120 4.5 9.1 1.0 O A:HOH536 4.7 9.2 1.0 O A:HOH578 4.8 8.6 1.0 CG B:ARG120 4.8 7.6 1.0 CB B:ARG120 4.8 8.3 1.0 CB A:ARG442 4.9 11.1 1.0 C A:GLY443 5.0 12.8 1.0

Chlorine binding site 4 out of 4 in the Succinyl-Coa:Acetate Coa-Transferase (AARCH6) 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) in Complex with Coa within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl516 b:29.4 occ:1.00 NH2 B:ARG354 3.1 24.3 1.0 N B:VAL196 3.1 16.8 1.0 O B:HOH922 3.2 23.8 1.0 NH2 A:ARG354 3.6 20.8 1.0 O B:VAL196 3.9 23.6 1.0 CB B:VAL196 3.9 18.4 1.0 CA B:VAL196 4.0 18.7 1.0 CA B:ILE195 4.0 14.2 1.0 CG2 B:VAL196 4.0 19.5 1.0 C B:ILE195 4.0 17.8 1.0 CZ B:ARG354 4.1 18.3 1.0 CG2 B:ILE195 4.2 17.5 1.0 NH1 B:ARG354 4.2 16.0 1.0 O A:HOH660 4.3 15.8 1.0 C B:VAL196 4.4 16.8 1.0 O B:ASP194 4.6 14.3 1.0 CZ A:ARG354 4.6 18.3 1.0 CB B:ILE195 4.6 19.1 1.0 NE A:ARG354 4.6 20.3 1.0 CG1 B:ILE351 4.7 15.5 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