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Chlorine in PDB 4eu9: Succinyl-Coa:Acetate Coa-Transferase (AARCH6-R228E) in Complex with Coa and A Covalent Glutamyl-Coa Thioester Adduct

Enzymatic activity of Succinyl-Coa:Acetate Coa-Transferase (AARCH6-R228E) in Complex with Coa and A Covalent Glutamyl-Coa Thioester Adduct

All present enzymatic activity of Succinyl-Coa:Acetate Coa-Transferase (AARCH6-R228E) in Complex with Coa and A Covalent Glutamyl-Coa Thioester Adduct:
2.8.3.18;

Protein crystallography data

The structure of Succinyl-Coa:Acetate Coa-Transferase (AARCH6-R228E) in Complex with Coa and A Covalent Glutamyl-Coa Thioester Adduct, PDB code: 4eu9 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) 31.00 / 1.48
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 67.093, 110.099, 119.841, 90.00, 90.00, 90.00
R / Rfree (%) 15.7 / 17.9

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Succinyl-Coa:Acetate Coa-Transferase (AARCH6-R228E) in Complex with Coa and A Covalent Glutamyl-Coa Thioester Adduct (pdb code 4eu9). 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-R228E) in Complex with Coa and A Covalent Glutamyl-Coa Thioester Adduct, PDB code: 4eu9:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 4eu9

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Chlorine binding site 1 out of 4 in the Succinyl-Coa:Acetate Coa-Transferase (AARCH6-R228E) in Complex with Coa and A Covalent Glutamyl-Coa Thioester Adduct


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-R228E) in Complex with Coa and A Covalent Glutamyl-Coa Thioester Adduct within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl515

b:13.8
occ:1.00
 ND2 A:ASN125 3.1 16.1 1.0
O B:HOH635 3.2 14.7 1.0
N B:GLY443 3.3 7.1 1.0
ND2 A:ASN112 3.5 12.2 1.0
NH1 A:ARG120 3.5 8.3 1.0
CD A:ARG120 3.7 9.0 1.0
CB A:ASN125 3.8 7.7 1.0
CA B:GLY443 3.9 9.1 1.0
OD1 A:ASN112 3.9 9.1 1.0
CG A:ASN125 3.9 9.5 1.0
CG A:ASN112 4.1 7.0 1.0
C B:ARG442 4.3 9.2 1.0
CA B:ARG442 4.3 8.9 1.0
CZ A:ARG120 4.5 7.6 1.0
NE A:ARG120 4.5 7.7 1.0
CD2 A:PHE110 4.5 7.7 1.0
CG A:ARG120 4.6 7.0 1.0
CB A:ARG120 4.6 8.4 1.0
CE2 A:PHE110 4.6 8.8 1.0
CB B:ARG442 4.9 10.0 1.0
O B:HOH544 4.9 9.0 1.0
C B:GLY443 4.9 9.6 1.0
O B:HOH548 5.0 8.4 1.0

Chlorine binding site 2 out of 4 in 4eu9

Go back to Chlorine Binding Sites List in 4eu9
Chlorine binding site 2 out of 4 in the Succinyl-Coa:Acetate Coa-Transferase (AARCH6-R228E) in Complex with Coa and A Covalent Glutamyl-Coa Thioester Adduct


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-R228E) in Complex with Coa and A Covalent Glutamyl-Coa Thioester Adduct within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl516

b:28.8
occ:1.00
 O A:HOH1287 2.8 27.3 1.0
NH2 B:ARG354 3.1 23.2 1.0
NH2 A:ARG354 3.2 18.7 1.0
N A:VAL196 3.3 18.6 1.0
O B:HOH769 3.5 17.0 1.0
O A:HOH1501 3.6 31.6 1.0
O A:VAL196 3.9 21.3 1.0
CA A:ILE195 4.0 16.0 1.0
CG2 A:VAL196 4.0 24.2 1.0
CZ B:ARG354 4.1 17.4 1.0
CB A:VAL196 4.1 24.6 1.0
NE B:ARG354 4.2 20.7 1.0
C A:ILE195 4.2 13.3 1.0
CA A:VAL196 4.2 18.0 1.0
CG2 A:ILE195 4.2 17.9 1.0
O A:HOH1341 4.3 27.7 1.0
CZ A:ARG354 4.4 16.5 1.0
C A:VAL196 4.4 19.3 1.0
CB A:ILE195 4.6 12.8 1.0
O A:ASP194 4.7 16.8 1.0
NH1 A:ARG354 4.7 19.3 1.0
CL B:CL516 4.9 24.8 1.0
O B:GLY350 4.9 11.2 1.0
CG1 A:ILE195 5.0 17.2 1.0

Chlorine binding site 3 out of 4 in 4eu9

Go back to Chlorine Binding Sites List in 4eu9
Chlorine binding site 3 out of 4 in the Succinyl-Coa:Acetate Coa-Transferase (AARCH6-R228E) in Complex with Coa and A Covalent Glutamyl-Coa Thioester Adduct


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-R228E) in Complex with Coa and A Covalent Glutamyl-Coa Thioester Adduct within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl515

b:12.6
occ:1.00
 O A:HOH595 3.2 11.0 1.0
N A:GLY443 3.2 8.3 1.0
ND2 B:ASN125 3.2 11.6 1.0
NH1 B:ARG120 3.4 8.0 1.0
ND2 B:ASN112 3.6 10.2 1.0
CD B:ARG120 3.7 7.6 1.0
CA A:GLY443 3.9 9.1 1.0
CB B:ASN125 3.9 10.0 1.0
CG B:ASN125 4.1 9.4 1.0
C A:ARG442 4.2 9.0 1.0
CA A:ARG442 4.3 7.6 1.0
OD1 B:ASN112 4.3 17.4 1.0
CG B:ASN112 4.4 11.8 1.0
CZ B:ARG120 4.4 8.5 1.0
NE B:ARG120 4.5 8.2 1.0
CD2 B:PHE110 4.5 8.3 1.0
CE2 B:PHE110 4.6 9.3 1.0
CG B:ARG120 4.7 7.9 1.0
O A:HOH578 4.8 9.8 1.0
O A:HOH577 4.8 8.5 1.0
CB B:ARG120 4.8 7.5 1.0
CB A:ARG442 4.8 8.3 1.0
CE1 B:TYR126 4.8 12.9 1.0
C A:GLY443 5.0 10.5 1.0

Chlorine binding site 4 out of 4 in 4eu9

Go back to Chlorine Binding Sites List in 4eu9
Chlorine binding site 4 out of 4 in the Succinyl-Coa:Acetate Coa-Transferase (AARCH6-R228E) in Complex with Coa and A Covalent Glutamyl-Coa Thioester Adduct


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-R228E) in Complex with Coa and A Covalent Glutamyl-Coa Thioester Adduct within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl516

b:24.8
occ:1.00
 O A:HOH1501 2.5 31.6 1.0
NH2 B:ARG354 3.1 23.2 1.0
O B:HOH884 3.1 18.2 1.0
N B:VAL196 3.2 12.8 1.0
O B:HOH1502 3.5 28.8 1.0
NH2 A:ARG354 3.7 18.7 1.0
O B:VAL196 4.0 17.9 1.0
CA B:ILE195 4.0 13.3 1.0
CB B:VAL196 4.0 15.3 1.0
CZ B:ARG354 4.0 17.4 1.0
C B:ILE195 4.1 13.5 1.0
CG2 B:ILE195 4.1 14.8 1.0
NH1 B:ARG354 4.1 16.5 1.0
CA B:VAL196 4.1 11.4 1.0
CG2 B:VAL196 4.2 17.3 1.0
O A:HOH745 4.4 16.6 1.0
C B:VAL196 4.5 14.2 1.0
CB B:ILE195 4.6 15.3 1.0
O B:ASP194 4.6 14.8 1.0
NE A:ARG354 4.6 15.4 1.0
CZ A:ARG354 4.7 16.5 1.0
CG1 B:ILE351 4.7 9.3 1.0
CL A:CL516 4.9 28.8 1.0

Reference:

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
Page generated: Sun Jul 21 13:21:18 2024

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