Chlorine in PDB 7nys: Monomeric Acetyl-Coa Synthase in Closed Conformation with Carbon Monoxide Bound to the Ni Proximal of Cluster A

Enzymatic activity of Monomeric Acetyl-Coa Synthase in Closed Conformation with Carbon Monoxide Bound to the Ni Proximal of Cluster A

All present enzymatic activity of Monomeric Acetyl-Coa Synthase in Closed Conformation with Carbon Monoxide Bound to the Ni Proximal of Cluster A:
2.3.1.169;

Protein crystallography data

The structure of Monomeric Acetyl-Coa Synthase in Closed Conformation with Carbon Monoxide Bound to the Ni Proximal of Cluster A, PDB code: 7nys was solved by J.Kreibich, J.H.Jeoung, H.Dobbek, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.56 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 70.276, 99.2, 238.584, 90, 90, 90
R / Rfree (%) 18.4 / 22.1

Other elements in 7nys:

The structure of Monomeric Acetyl-Coa Synthase in Closed Conformation with Carbon Monoxide Bound to the Ni Proximal of Cluster A also contains other interesting chemical elements:

Titanium (Ti) 1 atom
Nickel (Ni) 4 atoms
Iron (Fe) 8 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Monomeric Acetyl-Coa Synthase in Closed Conformation with Carbon Monoxide Bound to the Ni Proximal of Cluster A (pdb code 7nys). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Monomeric Acetyl-Coa Synthase in Closed Conformation with Carbon Monoxide Bound to the Ni Proximal of Cluster A, PDB code: 7nys:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 7nys

Go back to Chlorine Binding Sites List in 7nys
Chlorine binding site 1 out of 2 in the Monomeric Acetyl-Coa Synthase in Closed Conformation with Carbon Monoxide Bound to the Ni Proximal of Cluster A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Monomeric Acetyl-Coa Synthase in Closed Conformation with Carbon Monoxide Bound to the Ni Proximal of Cluster A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl804

b:55.0
occ:1.00
HG A:SER44 3.2 53.2 1.0
HA A:ILE41 3.8 31.9 1.0
HG2 A:GLU40 3.9 57.7 1.0
OG A:SER44 4.0 44.4 1.0
OE1 A:GLU40 4.0 75.8 1.0
HZ B:PHE215 4.0 23.3 1.0
HD12 A:ILE41 4.1 54.4 1.0
HB3 A:SER44 4.2 53.3 1.0
CZ B:PHE215 4.2 19.4 1.0
OH B:TYR38 4.2 27.1 1.0
CZ B:TYR38 4.4 23.7 1.0
HG13 A:ILE41 4.4 45.4 1.0
CE2 B:PHE215 4.5 25.8 1.0
HH B:TYR38 4.5 32.6 1.0
HE2 B:PHE215 4.5 30.9 1.0
CB A:SER44 4.5 44.4 1.0
CD A:GLU40 4.5 66.5 1.0
HB2 A:SER44 4.5 53.3 1.0
HE2 B:TYR38 4.6 30.1 1.0
CE2 B:TYR38 4.6 25.1 1.0
CG A:GLU40 4.6 48.1 1.0
HB A:ILE41 4.7 36.6 1.0
CA A:ILE41 4.7 26.6 1.0
CE1 B:PHE215 4.7 25.9 1.0
CD1 A:ILE41 4.8 45.4 1.0
HD11 A:ILE41 4.8 54.4 1.0
O B:HOH1392 4.9 33.4 1.0
HE1 B:PHE215 4.9 31.1 1.0
CG1 A:ILE41 4.9 37.9 1.0
CE1 B:TYR38 4.9 21.4 1.0
O A:GLU40 5.0 24.9 1.0

Chlorine binding site 2 out of 2 in 7nys

Go back to Chlorine Binding Sites List in 7nys
Chlorine binding site 2 out of 2 in the Monomeric Acetyl-Coa Synthase in Closed Conformation with Carbon Monoxide Bound to the Ni Proximal of Cluster A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Monomeric Acetyl-Coa Synthase in Closed Conformation with Carbon Monoxide Bound to the Ni Proximal of Cluster A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl805

b:53.7
occ:1.00
HB3 A:ASP81 3.3 41.7 1.0
H A:GLU75 3.3 45.1 1.0
HB3 A:GLU74 3.3 36.6 1.0
O A:GLU75 3.4 37.7 1.0
O A:HOH1165 3.5 31.8 1.0
C A:GLU75 3.8 38.2 1.0
N A:GLU75 3.8 37.6 1.0
CG A:ASP81 3.9 33.2 1.0
HA A:VAL76 3.9 36.5 1.0
OD1 A:ASP81 4.0 37.1 1.0
CB A:ASP81 4.0 34.8 1.0
O A:HOH1208 4.2 35.6 1.0
OD2 A:ASP81 4.2 29.4 1.0
CB A:GLU74 4.2 30.5 1.0
HB2 A:GLU75 4.3 50.8 1.0
CA A:GLU75 4.3 34.3 1.0
HA A:GLU74 4.3 33.3 1.0
HG2 A:GLU74 4.4 27.0 1.0
N A:VAL76 4.4 28.5 1.0
C A:GLU74 4.6 33.3 1.0
HA A:ASP81 4.6 45.1 1.0
CA A:GLU74 4.6 27.8 1.0
CA A:VAL76 4.7 30.4 1.0
HG22 A:VAL76 4.7 37.0 1.0
HB2 A:ASP81 4.7 41.7 1.0
CB A:GLU75 4.7 42.4 1.0
CG A:GLU74 4.8 22.5 1.0
HD11 A:ILE85 4.8 35.1 1.0
HG3 A:GLU74 4.9 27.0 1.0
HB3 A:GLU75 4.9 50.8 1.0
O A:HOH1040 4.9 41.5 1.0
HB2 A:GLU74 4.9 36.6 1.0
CA A:ASP81 4.9 37.6 1.0
H A:VAL76 5.0 34.1 1.0

Reference:

J.Kreibich, J.H.Jeoung, H.Dobbek. Ligand Binding at the Ni,Ni-[4FE-4S] Cluster of Acetyl-Coa Synthase To Be Published.
Page generated: Tue Apr 4 20:57:42 2023

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