Chlorine in PDB 4euc: Succinyl-Coa:Acetate Coa-Transferase (AARCH6-E294A) in Complex with Dethiaacetyl-Coa

All present enzymatic activity of Succinyl-Coa:Acetate Coa-Transferase (AARCH6-E294A) in Complex with Dethiaacetyl-Coa:
2.8.3.18;

The structure of Succinyl-Coa:Acetate Coa-Transferase (AARCH6-E294A) in Complex with Dethiaacetyl-Coa, PDB code: 4euc 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)	43.53 / 2.64
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	79.490, 104.052, 120.134, 90.00, 90.00, 90.00
R / Rfree (%)	16.8 / 22.6

The binding sites of Chlorine atom in the Succinyl-Coa:Acetate Coa-Transferase (AARCH6-E294A) in Complex with Dethiaacetyl-Coa (pdb code 4euc). 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-E294A) in Complex with Dethiaacetyl-Coa, PDB code: 4euc:
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-E294A) in Complex with 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-E294A) in Complex with Dethiaacetyl-Coa within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl515 b:46.1 occ:1.00 O B:HOH779 3.1 35.8 1.0 N B:GLY443 3.4 32.0 1.0 NH1 A:ARG120 3.5 31.6 1.0 ND2 A:ASN125 3.6 34.5 1.0 ND2 A:ASN112 3.6 26.0 1.0 OD1 A:ASN112 3.6 35.9 1.0 CD A:ARG120 3.7 27.5 1.0 CG A:ASN112 4.0 33.1 1.0 CA B:GLY443 4.1 28.1 1.0 CB A:ASN125 4.1 33.0 1.0 CG A:ASN125 4.3 43.9 1.0 CD2 A:PHE110 4.3 30.7 1.0 C B:ARG442 4.4 36.3 1.0 CA B:ARG442 4.4 32.1 1.0 CE2 A:PHE110 4.4 33.9 1.0 CZ A:ARG120 4.5 37.4 1.0 NE A:ARG120 4.5 39.6 1.0 CG A:ARG120 4.8 35.4 1.0 CB A:ARG120 4.8 34.0 1.0 O B:HOH735 4.9 30.8 1.0 CB B:ARG442 5.0 34.2 1.0

Chlorine binding site 2 out of 4 in the Succinyl-Coa:Acetate Coa-Transferase (AARCH6-E294A) in Complex with 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-E294A) in Complex with Dethiaacetyl-Coa within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl516 b:55.1 occ:1.00 N A:VAL196 3.0 40.0 1.0 NH2 A:ARG354 3.3 44.4 1.0 O A:VAL196 3.5 51.7 1.0 NH2 B:ARG354 3.8 43.9 1.0 CA A:VAL196 3.8 47.4 1.0 CB A:VAL196 3.8 55.3 1.0 CA A:ILE195 3.9 37.8 1.0 C A:ILE195 3.9 37.8 1.0 C A:VAL196 4.1 45.2 1.0 CG2 A:ILE195 4.1 47.0 1.0 CG2 A:VAL196 4.2 58.6 1.0 CZ A:ARG354 4.4 36.7 1.0 O A:ASP194 4.5 44.8 1.0 NE B:ARG354 4.6 41.2 1.0 CB A:ILE195 4.6 36.7 1.0 CZ B:ARG354 4.6 38.8 1.0 NH1 A:ARG354 4.6 36.9 1.0 CL B:CL516 5.0 58.4 1.0 CG1 A:ILE351 5.0 32.9 1.0

Chlorine binding site 3 out of 4 in the Succinyl-Coa:Acetate Coa-Transferase (AARCH6-E294A) in Complex with 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-E294A) in Complex with Dethiaacetyl-Coa within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl515 b:45.2 occ:1.00 N A:GLY443 3.3 34.5 1.0 ND2 B:ASN125 3.4 39.0 1.0 NH1 B:ARG120 3.5 32.8 1.0 ND2 B:ASN112 3.8 25.3 1.0 CD B:ARG120 3.8 27.5 1.0 OD1 B:ASN112 3.8 41.2 1.0 CA A:GLY443 4.0 32.3 1.0 CB B:ASN125 4.0 35.9 1.0 CG B:ASN112 4.2 36.7 1.0 CG B:ASN125 4.2 44.4 1.0 CA A:ARG442 4.3 34.0 1.0 C A:ARG442 4.3 36.0 1.0 CD2 B:PHE110 4.5 30.5 1.0 CE2 B:PHE110 4.5 32.2 1.0 CZ B:ARG120 4.5 36.9 1.0 NE B:ARG120 4.6 37.2 1.0 O A:HOH790 4.8 35.9 1.0 O A:HOH789 4.8 39.6 1.0 CG B:ARG120 4.8 34.2 1.0 CB A:ARG442 4.9 37.2 1.0 CB B:ARG120 4.9 34.1 1.0

Chlorine binding site 4 out of 4 in the Succinyl-Coa:Acetate Coa-Transferase (AARCH6-E294A) in Complex with 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-E294A) in Complex with Dethiaacetyl-Coa within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl516 b:58.4 occ:1.00 NH2 A:ARG354 3.3 44.4 1.0 O A:HOH756 3.3 33.8 1.0 NH2 B:ARG354 3.5 43.9 1.0 N B:VAL196 3.5 40.1 1.0 CA B:ILE195 4.1 34.5 1.0 NE A:ARG354 4.1 39.1 1.0 CZ A:ARG354 4.2 36.7 1.0 O B:VAL196 4.2 43.4 1.0 CG2 B:ILE195 4.3 40.7 1.0 C B:ILE195 4.3 36.6 1.0 CB B:VAL196 4.4 52.9 1.0 CA B:VAL196 4.5 52.5 1.0 O B:ASP194 4.6 47.7 1.0 CG2 B:VAL196 4.7 57.8 1.0 CZ B:ARG354 4.7 38.8 1.0 C B:VAL196 4.8 45.8 1.0 CB B:ILE195 4.8 32.9 1.0 CL A:CL516 5.0 55.1 1.0 O A:GLY350 5.0 35.0 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