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Chlorine in PDB 4eua: Succinyl-Coa:Acetate Coa-Transferase (AARCH6-R228E) in Complex with Coa (Anomalous Dataset)

Enzymatic activity of Succinyl-Coa:Acetate Coa-Transferase (AARCH6-R228E) in Complex with Coa (Anomalous Dataset)

All present enzymatic activity of Succinyl-Coa:Acetate Coa-Transferase (AARCH6-R228E) in Complex with Coa (Anomalous Dataset):
2.8.3.18;

Protein crystallography data

The structure of Succinyl-Coa:Acetate Coa-Transferase (AARCH6-R228E) in Complex with Coa (Anomalous Dataset), PDB code: 4eua 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) 44.64 / 2.40
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 67.391, 110.484, 119.157, 90.00, 90.00, 90.00
R / Rfree (%) 15.2 / 20.9

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Succinyl-Coa:Acetate Coa-Transferase (AARCH6-R228E) in Complex with Coa (Anomalous Dataset) (pdb code 4eua). 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 (Anomalous Dataset), PDB code: 4eua:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 4eua

Go back to Chlorine Binding Sites List in 4eua
Chlorine binding site 1 out of 4 in the Succinyl-Coa:Acetate Coa-Transferase (AARCH6-R228E) in Complex with Coa (Anomalous Dataset)


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 (Anomalous Dataset) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl516

b:43.2
occ:1.00
 NH2 B:ARG354 3.2 20.8 1.0
NH2 A:ARG354 3.3 17.5 1.0
O A:HOH967 3.3 31.6 1.0
O B:HOH750 3.5 17.9 1.0
N A:VAL196 3.6 23.3 1.0
O A:VAL196 4.2 26.9 1.0
CZ B:ARG354 4.2 15.8 1.0
CA A:ILE195 4.2 18.7 1.0
NE B:ARG354 4.2 13.6 1.0
CG2 A:VAL196 4.2 21.0 1.0
CG2 A:ILE195 4.3 16.8 1.0
C A:ILE195 4.4 21.7 1.0
CZ A:ARG354 4.4 12.8 1.0
CB A:VAL196 4.5 33.8 1.0
CA A:VAL196 4.5 24.0 1.0
C A:VAL196 4.7 23.1 1.0
NH1 A:ARG354 4.7 15.6 1.0
CB A:ILE195 4.8 18.5 1.0
O A:ASP194 4.8 18.1 1.0
CL B:CL516 4.9 26.4 1.0

Chlorine binding site 2 out of 4 in 4eua

Go back to Chlorine Binding Sites List in 4eua
Chlorine binding site 2 out of 4 in the Succinyl-Coa:Acetate Coa-Transferase (AARCH6-R228E) in Complex with Coa (Anomalous Dataset)


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 (Anomalous Dataset) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl515

b:22.7
occ:1.00
 O A:HOH576 2.9 13.1 1.0
ND2 A:ASN125 3.1 12.2 1.0
N B:GLY443 3.3 9.1 1.0
NH1 A:ARG120 3.4 10.4 1.0
ND2 A:ASN112 3.6 13.2 1.0
OD1 A:ASN112 3.6 10.8 1.0
CD A:ARG120 3.6 11.4 1.0
CB A:ASN125 3.8 9.8 1.0
CA B:GLY443 3.8 11.8 1.0
CG A:ASN125 3.9 13.8 1.0
CG A:ASN112 4.0 15.8 1.0
C B:ARG442 4.3 10.4 1.0
CA B:ARG442 4.4 12.9 1.0
CZ A:ARG120 4.4 11.6 1.0
NE A:ARG120 4.5 12.4 1.0
CE2 A:PHE110 4.5 6.9 1.0
CD2 A:PHE110 4.5 7.5 1.0
CB A:ARG120 4.7 11.8 1.0
CG A:ARG120 4.7 10.0 1.0
O B:HOH529 4.8 7.4 1.0
C B:GLY443 4.9 13.6 1.0
CB B:ARG442 5.0 11.9 1.0

Chlorine binding site 3 out of 4 in 4eua

Go back to Chlorine Binding Sites List in 4eua
Chlorine binding site 3 out of 4 in the Succinyl-Coa:Acetate Coa-Transferase (AARCH6-R228E) in Complex with Coa (Anomalous Dataset)


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 (Anomalous Dataset) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl516

b:26.4
occ:1.00
 O A:HOH967 2.8 31.6 1.0
O A:HOH681 2.9 31.6 1.0
N B:VAL196 3.1 19.6 1.0
NH2 B:ARG354 3.2 20.8 1.0
CG2 B:VAL196 3.7 19.0 1.0
O B:VAL196 3.7 28.8 1.0
CB B:VAL196 3.8 35.1 1.0
NH2 A:ARG354 3.9 17.5 1.0
CA B:VAL196 3.9 21.3 1.0
CA B:ILE195 4.0 16.6 1.0
C B:ILE195 4.0 19.2 1.0
CZ B:ARG354 4.2 15.8 1.0
CG2 B:ILE195 4.2 15.7 1.0
C B:VAL196 4.2 20.1 1.0
NH1 B:ARG354 4.3 10.9 1.0
O A:HOH646 4.3 14.6 1.0
O B:ASP194 4.5 16.8 1.0
CB B:ILE195 4.6 18.7 1.0
CG1 B:ILE351 4.7 11.1 1.0
NE A:ARG354 4.8 11.8 1.0
CZ A:ARG354 4.8 12.8 1.0
CL A:CL516 4.9 43.2 1.0

Chlorine binding site 4 out of 4 in 4eua

Go back to Chlorine Binding Sites List in 4eua
Chlorine binding site 4 out of 4 in the Succinyl-Coa:Acetate Coa-Transferase (AARCH6-R228E) in Complex with Coa (Anomalous Dataset)


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 (Anomalous Dataset) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl515

b:17.7
occ:1.00
 O A:HOH833 3.1 13.9 1.0
ND2 B:ASN125 3.2 10.8 1.0
N A:GLY443 3.2 8.5 1.0
NH1 B:ARG120 3.4 8.0 1.0
OD1 B:ASN112 3.6 18.0 1.0
ND2 B:ASN112 3.7 13.5 1.0
CD B:ARG120 3.7 9.3 1.0
CB B:ASN125 3.9 12.4 1.0
CA A:GLY443 3.9 10.2 1.0
CG B:ASN125 4.0 11.5 1.0
CG B:ASN112 4.1 15.9 1.0
C A:ARG442 4.2 13.5 1.0
CA A:ARG442 4.2 12.1 1.0
CE2 B:PHE110 4.4 9.4 1.0
CZ B:ARG120 4.4 13.9 1.0
CD2 B:PHE110 4.4 8.4 1.0
NE B:ARG120 4.5 15.3 1.0
O A:HOH673 4.7 9.3 1.0
O A:HOH580 4.8 7.5 1.0
CB A:ARG442 4.8 11.0 1.0
CB B:ARG120 4.9 9.8 1.0
CG B:ARG120 4.9 10.0 1.0
C A:GLY443 5.0 11.6 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 13:21:22 2024

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