Chlorine in PDB 4eu4: Succinyl-Coa: Acetate Coa-Transferase (AARCH6) in Complex with Coa (Hexagonal Lattice)

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

The structure of Succinyl-Coa: Acetate Coa-Transferase (AARCH6) in Complex with Coa (Hexagonal Lattice), PDB code: 4eu4 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)	41.54 / 2.80
Space group	P 62 2 2
Cell size a, b, c (Å), α, β, γ (°)	150.180, 150.180, 290.393, 90.00, 90.00, 120.00
R / Rfree (%)	17.8 / 22.3

The binding sites of Chlorine atom in the Succinyl-Coa: Acetate Coa-Transferase (AARCH6) in Complex with Coa (Hexagonal Lattice) (pdb code 4eu4). 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 (Hexagonal Lattice), PDB code: 4eu4:
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 (Hexagonal Lattice)


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 (Hexagonal Lattice) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl515 b:46.1 occ:1.00 ND2 A:ASN125 3.1 38.6 1.0 N B:GLY443 3.4 32.8 1.0 NH1 A:ARG120 3.5 41.3 1.0 OD1 A:ASN112 3.6 46.8 1.0 ND2 A:ASN112 3.7 37.9 1.0 CA B:GLY443 3.9 36.8 1.0 CB A:ASN125 3.9 41.4 1.0 CD A:ARG120 3.9 36.2 1.0 CG A:ASN125 4.0 47.0 1.0 CG A:ASN112 4.1 40.0 1.0 CD2 A:PHE110 4.3 51.5 1.0 CE2 A:PHE110 4.3 50.1 1.0 CG A:ARG120 4.4 29.2 1.0 O B:HOH527 4.5 44.7 1.0 C B:ARG442 4.5 37.1 1.0 CZ A:ARG120 4.5 45.1 1.0 CB A:ARG120 4.7 35.4 1.0 NE A:ARG120 4.7 55.5 1.0 O B:HOH561 4.7 48.8 1.0 CA B:ARG442 4.7 42.2 1.0 C B:GLY443 4.9 41.1 1.0

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


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 (Hexagonal Lattice) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl516 b:63.2 occ:1.00 O B:HOH755 2.8 51.7 1.0 O A:HOH614 3.0 40.3 1.0 N A:VAL196 3.5 44.2 1.0 NH2 A:ARG354 3.5 44.1 1.0 O A:VAL196 3.6 50.5 1.0 NH2 B:ARG354 4.2 49.4 1.0 CA A:VAL196 4.2 45.3 1.0 C A:VAL196 4.3 45.5 1.0 CA A:ILE195 4.3 39.2 1.0 CG2 A:ILE195 4.3 40.2 1.0 C A:ILE195 4.3 44.0 1.0 CB A:VAL196 4.4 53.8 1.0 CG1 A:ILE351 4.5 27.8 1.0 CZ A:ARG354 4.6 42.5 1.0 O A:ASP194 4.7 46.1 1.0 NH1 A:ARG354 4.7 28.2 1.0 OG A:SER348 4.8 41.2 1.0 O A:HOH551 4.9 40.3 1.0 NE B:ARG354 4.9 43.2 1.0 CB A:ILE195 5.0 38.6 1.0 CD1 A:ILE351 5.0 37.1 1.0

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


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 (Hexagonal Lattice) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl515 b:43.8 occ:1.00 ND2 B:ASN125 3.1 41.6 1.0 N A:GLY443 3.3 34.0 1.0 NH1 B:ARG120 3.4 45.6 1.0 O A:HOH808 3.5 59.1 1.0 OD1 B:ASN112 3.6 44.3 1.0 ND2 B:ASN112 3.8 44.0 1.0 CA A:GLY443 3.8 36.4 1.0 CB B:ASN125 4.0 39.1 1.0 CD B:ARG120 4.0 38.0 1.0 CG B:ASN125 4.0 51.5 1.0 CG B:ASN112 4.1 42.2 1.0 CE2 B:PHE110 4.3 54.8 1.0 CD2 B:PHE110 4.3 51.5 1.0 C A:ARG442 4.4 39.6 1.0 CG B:ARG120 4.4 33.3 1.0 CZ B:ARG120 4.5 48.6 1.0 CA A:ARG442 4.5 43.7 1.0 O A:HOH672 4.6 47.2 1.0 O A:HOH671 4.7 48.8 1.0 NE B:ARG120 4.7 54.9 1.0 CB B:ARG120 4.7 36.9 1.0 C A:GLY443 4.9 39.8 1.0

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


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 (Hexagonal Lattice) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl516 b:79.6 occ:1.00 N B:VAL196 3.3 46.8 1.0 O B:VAL196 3.4 49.1 1.0 O A:HOH614 3.5 40.3 1.0 NH2 B:ARG354 3.6 49.4 1.0 CA B:VAL196 4.0 47.2 1.0 C B:VAL196 4.1 48.3 1.0 CA B:ILE195 4.1 37.7 1.0 C B:ILE195 4.1 47.0 1.0 NH2 A:ARG354 4.2 44.1 1.0 CB B:VAL196 4.2 55.7 1.0 CG2 B:ILE195 4.3 40.6 1.0 CG1 B:ILE351 4.5 29.9 1.0 O B:ASP194 4.6 52.0 1.0 CZ B:ARG354 4.6 45.0 1.0 NH1 B:ARG354 4.7 30.5 1.0 CB B:ILE195 4.8 36.4 1.0 OG B:SER348 4.9 39.5 1.0 NE A:ARG354 4.9 43.5 1.0 CD1 B:ILE351 4.9 41.7 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