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Chlorine in PDB 5dw5: Succinyl-Coa:Acetate Coa-Transferase (AARCH6) Bound to the Coa Analogue 3'-Phosphoadenosine 5'-(O-(N-Propylpantothenamide)) Pyrophosphate (Mx)

Enzymatic activity of Succinyl-Coa:Acetate Coa-Transferase (AARCH6) Bound to the Coa Analogue 3'-Phosphoadenosine 5'-(O-(N-Propylpantothenamide)) Pyrophosphate (Mx)

All present enzymatic activity of Succinyl-Coa:Acetate Coa-Transferase (AARCH6) Bound to the Coa Analogue 3'-Phosphoadenosine 5'-(O-(N-Propylpantothenamide)) Pyrophosphate (Mx):
2.8.3.18;

Protein crystallography data

The structure of Succinyl-Coa:Acetate Coa-Transferase (AARCH6) Bound to the Coa Analogue 3'-Phosphoadenosine 5'-(O-(N-Propylpantothenamide)) Pyrophosphate (Mx), PDB code: 5dw5 was solved by T.J.Kappock, J.R.Murphy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.87 / 1.66
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 67.477, 110.305, 120.144, 90.00, 90.00, 90.00
R / Rfree (%) 15 / 17.4

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Succinyl-Coa:Acetate Coa-Transferase (AARCH6) Bound to the Coa Analogue 3'-Phosphoadenosine 5'-(O-(N-Propylpantothenamide)) Pyrophosphate (Mx) (pdb code 5dw5). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Succinyl-Coa:Acetate Coa-Transferase (AARCH6) Bound to the Coa Analogue 3'-Phosphoadenosine 5'-(O-(N-Propylpantothenamide)) Pyrophosphate (Mx), PDB code: 5dw5:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 5dw5

Go back to Chlorine Binding Sites List in 5dw5
Chlorine binding site 1 out of 3 in the Succinyl-Coa:Acetate Coa-Transferase (AARCH6) Bound to the Coa Analogue 3'-Phosphoadenosine 5'-(O-(N-Propylpantothenamide)) Pyrophosphate (Mx)


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) Bound to the Coa Analogue 3'-Phosphoadenosine 5'-(O-(N-Propylpantothenamide)) Pyrophosphate (Mx) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl601

b:26.7
occ:0.63
 C B:ACT601 2.7 15.6 0.4
OXT B:ACT601 3.0 13.5 0.4
O B:ACT601 3.0 13.7 0.4
CH3 B:ACT601 3.0 13.1 0.4
O B:HOH1065 3.3 24.9 1.0
ND2 A:ASN125 3.4 25.0 1.0
NH1 A:ARG120 3.4 17.4 1.0
ND2 A:ASN112 3.7 29.9 1.0
N B:GLY443 3.8 21.8 1.0
CD A:ARG120 3.8 20.1 1.0
OD1 A:ASN112 3.8 21.3 1.0
CB A:ASN125 4.0 17.9 1.0
CG A:ASN125 4.2 20.8 1.0
CG A:ASN112 4.2 16.6 1.0
CD2 A:PHE110 4.4 18.6 1.0
CE2 A:PHE110 4.4 19.4 1.0
CZ A:ARG120 4.5 18.4 1.0
CA B:GLY443 4.6 28.0 1.0
NE A:ARG120 4.6 19.7 1.0
CA B:ARG442 4.7 18.2 1.0
C B:ARG442 4.7 17.3 1.0
CB A:ARG120 4.8 15.7 1.0
CG A:ARG120 4.8 16.1 1.0
O B:HOH812 4.8 18.6 1.0
O B:HOH942 4.9 19.0 1.0

Chlorine binding site 2 out of 3 in 5dw5

Go back to Chlorine Binding Sites List in 5dw5
Chlorine binding site 2 out of 3 in the Succinyl-Coa:Acetate Coa-Transferase (AARCH6) Bound to the Coa Analogue 3'-Phosphoadenosine 5'-(O-(N-Propylpantothenamide)) Pyrophosphate (Mx)


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) Bound to the Coa Analogue 3'-Phosphoadenosine 5'-(O-(N-Propylpantothenamide)) Pyrophosphate (Mx) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl602

b:44.5
occ:1.00
 O A:HOH1101 2.2 44.9 1.0
O B:HOH996 2.2 33.8 1.0
NH2 B:ARG354 3.2 31.4 1.0
N A:VAL196 3.3 25.6 1.0
NH2 A:ARG354 3.3 24.2 1.0
O A:VAL196 3.8 32.5 1.0
CA A:ILE195 4.0 23.5 1.0
O B:HOH806 4.0 27.3 1.0
NE B:ARG354 4.1 23.7 1.0
CZ B:ARG354 4.1 28.2 1.0
CA A:VAL196 4.1 29.3 1.0
C A:ILE195 4.1 24.1 1.0
CB A:VAL196 4.2 32.4 1.0
O A:HOH921 4.2 40.3 1.0
CG2 A:VAL196 4.2 35.9 1.0
CG2 A:ILE195 4.4 27.5 1.0
C A:VAL196 4.4 31.8 1.0
CZ A:ARG354 4.5 22.9 1.0
O A:ASP194 4.5 23.0 1.0
O B:HOH1035 4.6 28.8 1.0
CB A:ILE195 4.7 26.4 1.0
CD1 A:ILE351 4.8 17.2 0.5
NH1 A:ARG354 4.8 25.6 1.0

Chlorine binding site 3 out of 3 in 5dw5

Go back to Chlorine Binding Sites List in 5dw5
Chlorine binding site 3 out of 3 in the Succinyl-Coa:Acetate Coa-Transferase (AARCH6) Bound to the Coa Analogue 3'-Phosphoadenosine 5'-(O-(N-Propylpantothenamide)) Pyrophosphate (Mx)


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) Bound to the Coa Analogue 3'-Phosphoadenosine 5'-(O-(N-Propylpantothenamide)) Pyrophosphate (Mx) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl602

b:26.9
occ:0.60
 C A:ACT604 2.9 17.8 0.4
CH3 A:ACT604 3.0 17.8 0.4
O A:ACT604 3.2 15.8 0.4
O A:HOH1077 3.2 24.4 1.0
OXT A:ACT604 3.2 15.6 0.4
NH1 B:ARG120 3.3 14.9 1.0
ND2 B:ASN125 3.3 23.2 1.0
N A:GLY443 3.8 19.9 1.0
CD B:ARG120 3.8 17.2 1.0
ND2 B:ASN112 3.8 19.2 1.0
CB B:ASN125 4.0 17.9 1.0
CG B:ASN125 4.2 22.4 1.0
CZ B:ARG120 4.3 20.0 1.0
CA A:ARG442 4.5 16.6 1.0
OD1 B:ASN112 4.5 33.9 1.0
NE B:ARG120 4.5 16.9 1.0
CD2 B:PHE110 4.6 19.0 1.0
CE2 B:PHE110 4.6 19.3 1.0
CG B:ASN112 4.6 24.6 1.0
C A:ARG442 4.6 21.0 1.0
CA A:GLY443 4.6 23.7 1.0
O A:HOH786 4.7 17.7 1.0
O A:HOH978 4.7 17.7 1.0
CG B:ARG120 4.8 13.9 1.0
CB B:ARG120 4.9 13.6 1.0

Reference:

J.R.Murphy, E.A.Mullins, T.J.Kappock. Functional Dissection of the Bipartite Active Site of the Class I Coenzyme A (Coa)-Transferase Succinyl-Coa:Acetate Coa-Transferase. Front Chem V. 4 23 2016.
ISSN: ISSN 2296-2646
PubMed: 27242998
DOI: 10.3389/FCHEM.2016.00023
Page generated: Sat Dec 12 11:39:51 2020

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