Chlorine in PDB 4eu3: Succinyl-Coa:Acetate Coa-Transferase (AARCH6) in Complex with Citrate (Subunit B) or Unliganded (Subunit A)

Enzymatic activity of Succinyl-Coa:Acetate Coa-Transferase (AARCH6) in Complex with Citrate (Subunit B) or Unliganded (Subunit A)

All present enzymatic activity of Succinyl-Coa:Acetate Coa-Transferase (AARCH6) in Complex with Citrate (Subunit B) or Unliganded (Subunit A):
2.8.3.18;

Protein crystallography data

The structure of Succinyl-Coa:Acetate Coa-Transferase (AARCH6) in Complex with Citrate (Subunit B) or Unliganded (Subunit A), PDB code: 4eu3 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) 40.23 / 1.58
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 67.478, 110.347, 119.837, 90.00, 90.00, 90.00
R / Rfree (%) 15.6 / 18.9

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Succinyl-Coa:Acetate Coa-Transferase (AARCH6) in Complex with Citrate (Subunit B) or Unliganded (Subunit A) (pdb code 4eu3). 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 Citrate (Subunit B) or Unliganded (Subunit A), PDB code: 4eu3:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 4eu3

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Chlorine binding site 1 out of 4 in the Succinyl-Coa:Acetate Coa-Transferase (AARCH6) in Complex with Citrate (Subunit B) or Unliganded (Subunit A)


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 Citrate (Subunit B) or Unliganded (Subunit A) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl515

b:14.2
occ:1.00
 O B:HOH782 2.9 16.2 1.0
ND2 A:ASN125 3.1 12.4 1.0
N B:GLY443 3.3 7.1 1.0
ND2 A:ASN112 3.4 9.4 1.0
NH1 A:ARG120 3.5 8.4 1.0
CD A:ARG120 3.7 7.6 1.0
CB A:ASN125 3.7 6.2 1.0
CA B:GLY443 3.8 6.7 1.0
OD1 A:ASN112 3.9 7.5 1.0
CG A:ASN125 3.9 8.9 1.0
CG A:ASN112 4.1 6.0 1.0
C B:ARG442 4.3 7.2 1.0
CA B:ARG442 4.4 9.8 1.0
CZ A:ARG120 4.5 7.9 1.0
NE A:ARG120 4.5 8.3 1.0
CD2 A:PHE110 4.5 7.2 1.0
CG A:ARG120 4.6 6.8 1.0
CB A:ARG120 4.6 5.5 1.0
CE2 A:PHE110 4.6 8.2 1.0
O B:HOH526 4.9 7.9 1.0
CB B:ARG442 4.9 7.3 1.0
C B:GLY443 4.9 7.8 1.0

Chlorine binding site 2 out of 4 in 4eu3

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Chlorine binding site 2 out of 4 in the Succinyl-Coa:Acetate Coa-Transferase (AARCH6) in Complex with Citrate (Subunit B) or Unliganded (Subunit A)


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 Citrate (Subunit B) or Unliganded (Subunit A) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl516

b:29.6
occ:1.00
 O A:HOH1267 2.7 23.1 1.0
NH2 B:ARG354 3.2 22.1 1.0
NH2 A:ARG354 3.2 15.4 1.0
N A:VAL196 3.2 18.0 1.0
O A:HOH1463 3.7 30.2 1.0
O B:HOH622 3.7 14.9 1.0
O A:VAL196 3.8 21.1 1.0
CA A:ILE195 4.0 12.6 1.0
CG2 A:VAL196 4.0 23.7 1.0
C A:ILE195 4.1 14.4 1.0
CB A:VAL196 4.1 24.3 1.0
CA A:VAL196 4.1 18.2 1.0
CZ B:ARG354 4.2 17.8 1.0
NE B:ARG354 4.2 16.8 1.0
CG2 A:ILE195 4.2 15.3 1.0
CZ A:ARG354 4.3 14.1 1.0
C A:VAL196 4.3 17.9 1.0
NH1 A:ARG354 4.5 20.2 1.0
CB A:ILE195 4.6 16.8 1.0
O A:ASP194 4.7 15.5 1.0
O A:HOH1372 4.9 25.4 1.0
CL B:CL516 4.9 24.5 1.0
CG1 A:ILE195 5.0 16.9 1.0

Chlorine binding site 3 out of 4 in 4eu3

Go back to Chlorine Binding Sites List in 4eu3
Chlorine binding site 3 out of 4 in the Succinyl-Coa:Acetate Coa-Transferase (AARCH6) in Complex with Citrate (Subunit B) or Unliganded (Subunit A)


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 Citrate (Subunit B) or Unliganded (Subunit A) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl516

b:24.5
occ:1.00
 O A:HOH1463 2.6 30.2 1.0
NH2 B:ARG354 3.1 22.1 1.0
N B:VAL196 3.2 14.2 1.0
O B:HOH689 3.2 18.4 1.0
NH2 A:ARG354 3.5 15.4 1.0
O B:VAL196 3.9 18.4 1.0
CG2 B:VAL196 3.9 18.1 1.0
CB B:VAL196 4.0 15.6 1.0
CA B:ILE195 4.0 12.5 1.0
CA B:VAL196 4.0 13.5 1.0
C B:ILE195 4.1 10.5 1.0
CZ B:ARG354 4.1 17.8 1.0
CG2 B:ILE195 4.1 13.5 1.0
NH1 B:ARG354 4.2 17.8 1.0
O A:HOH822 4.4 16.2 1.0
C B:VAL196 4.4 14.4 1.0
CZ A:ARG354 4.4 14.1 1.0
NE A:ARG354 4.5 15.2 1.0
O B:ASP194 4.6 12.8 1.0
CB B:ILE195 4.6 14.8 1.0
CL A:CL516 4.9 29.6 1.0
CG1 B:ILE351 4.9 6.6 1.0

Chlorine binding site 4 out of 4 in 4eu3

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Chlorine binding site 4 out of 4 in the Succinyl-Coa:Acetate Coa-Transferase (AARCH6) in Complex with Citrate (Subunit B) or Unliganded (Subunit A)


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 Citrate (Subunit B) or Unliganded (Subunit A) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl515

b:12.0
occ:1.00
 ND2 B:ASN125 3.2 11.5 1.0
O A:HOH731 3.2 12.4 1.0
N A:GLY443 3.2 8.1 1.0
NH1 B:ARG120 3.4 7.1 1.0
ND2 B:ASN112 3.7 7.7 1.0
CD B:ARG120 3.8 7.8 1.0
CA A:GLY443 3.9 7.5 1.0
CB B:ASN125 3.9 8.5 1.0
OD1 B:ASN112 4.0 22.4 1.0
CG B:ASN125 4.0 7.9 1.0
C A:ARG442 4.2 7.5 1.0
CG B:ASN112 4.2 10.6 1.0
CA A:ARG442 4.3 6.8 1.0
CZ B:ARG120 4.4 8.2 1.0
NE B:ARG120 4.5 8.0 1.0
CD2 B:PHE110 4.5 8.1 1.0
CE2 B:PHE110 4.6 9.0 1.0
CG B:ARG120 4.7 7.8 1.0
CB B:ARG120 4.8 7.1 1.0
O A:HOH560 4.8 8.6 1.0
O A:HOH569 4.9 8.2 1.0
CE1 B:TYR126 4.9 10.2 1.0
CB A:ARG442 4.9 7.7 1.0
C A:GLY443 5.0 9.7 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: Sat Dec 12 10:35:41 2020

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