Zinc in PDB 7nz5: Monomeric Acetyl-Coa Synthase with Zn at the Proximal Position of Cluster A

All present enzymatic activity of Monomeric Acetyl-Coa Synthase with Zn at the Proximal Position of Cluster A:
2.3.1.169;

The structure of Monomeric Acetyl-Coa Synthase with Zn at the Proximal Position of Cluster A, PDB code: 7nz5 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)	46.19 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	69.246, 98.811, 238.875, 90, 90, 90
R / Rfree (%)	19.3 / 22.4

The structure of Monomeric Acetyl-Coa Synthase with Zn at the Proximal Position of Cluster A also contains other interesting chemical elements:

Iron	(Fe)	8 atoms
Titanium	(Ti)	1 atom
Nickel	(Ni)	2 atoms

The binding sites of Zinc atom in the Monomeric Acetyl-Coa Synthase with Zn at the Proximal Position of Cluster A (pdb code 7nz5). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Monomeric Acetyl-Coa Synthase with Zn at the Proximal Position of Cluster A, PDB code: 7nz5:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Monomeric Acetyl-Coa Synthase with Zn at the Proximal Position of Cluster A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Monomeric Acetyl-Coa Synthase with Zn at the Proximal Position of Cluster A within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn802 b:9.2 occ:0.57 SG A:CYS512 2.3 18.2 1.0 SG A:CYS600 2.4 16.9 1.0 SG A:CYS598 2.5 19.7 1.0 NI A:NI803 2.9 15.0 0.9 HB3 A:CYS600 2.9 20.5 1.0 HB3 A:CYS512 2.9 21.4 1.0 HB2 A:CYS598 3.0 18.1 1.0 CB A:CYS512 3.2 17.7 1.0 CB A:CYS600 3.3 17.0 1.0 CB A:CYS598 3.3 15.0 1.0 HG11 A:VAL152 3.6 22.0 1.0 HB2 A:CYS512 3.6 21.4 1.0 HB3 A:CYS598 3.7 18.1 1.0 FE4 A:SF4801 3.8 16.0 1.0 HB2 A:CYS600 3.9 20.5 1.0 HD13 A:ILE149 4.0 32.7 1.0 HD12 A:ILE149 4.1 32.7 1.0 S1 A:SF4801 4.2 16.9 1.0 N A:CYS600 4.3 14.1 1.0 HA A:CYS512 4.4 22.9 1.0 HD11 A:LEU530 4.4 22.1 1.0 CA A:CYS600 4.5 12.5 1.0 CA A:CYS512 4.5 19.0 1.0 CG1 A:VAL152 4.5 18.2 1.0 CD1 A:ILE149 4.5 27.2 1.0 N A:GLY599 4.6 15.5 1.0 HA A:ILE149 4.6 27.7 1.0 CA A:CYS598 4.6 16.6 1.0 HG12 A:VAL152 4.6 22.0 1.0 HG21 A:VAL152 4.7 22.9 1.0 HD1 A:PHE232 4.7 25.4 1.0 H A:CYS598 4.7 19.7 1.0 HG13 A:VAL152 4.9 22.0 1.0 C A:CYS598 5.0 19.0 1.0

Zinc binding site 2 out of 2 in the Monomeric Acetyl-Coa Synthase with Zn at the Proximal Position of Cluster A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Monomeric Acetyl-Coa Synthase with Zn at the Proximal Position of Cluster A within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn802 b:6.3 occ:0.51 SG B:CYS512 2.3 16.0 1.0 SG B:CYS600 2.4 15.3 1.0 SG B:CYS598 2.4 17.3 1.0 NI B:NI803 2.9 12.2 0.8 HB3 B:CYS512 3.0 13.8 1.0 HB2 B:CYS598 3.2 14.4 1.0 CB B:CYS512 3.3 11.4 1.0 HB3 B:CYS600 3.3 15.9 1.0 CB B:CYS598 3.5 11.9 1.0 CB B:CYS600 3.5 13.2 1.0 HD13 B:ILE149 3.5 27.0 1.0 HG11 B:VAL152 3.6 17.7 1.0 HB2 B:CYS512 3.7 13.8 1.0 FE4 B:SF4801 3.8 12.8 1.0 HD12 B:ILE149 3.8 27.0 1.0 HB3 B:CYS598 3.9 14.4 1.0 CD1 B:ILE149 4.1 22.4 1.0 HB2 B:CYS600 4.2 15.9 1.0 S1 B:SF4801 4.2 16.5 1.0 N B:CYS600 4.2 13.6 1.0 N B:GLY599 4.5 13.6 1.0 CG1 B:VAL152 4.5 14.7 1.0 HD11 B:ILE149 4.5 27.0 1.0 HG13 B:VAL152 4.5 17.7 1.0 HG21 B:VAL152 4.5 19.8 1.0 HA B:CYS512 4.5 15.3 1.0 CA B:CYS600 4.5 15.7 1.0 HA B:ILE149 4.5 23.1 1.0 CA B:CYS512 4.6 12.7 1.0 HD11 B:LEU530 4.6 17.0 1.0 HD1 B:PHE232 4.7 19.2 1.0 CA B:CYS598 4.8 7.4 1.0 H B:CYS598 4.9 16.7 1.0 HB3 B:CYS531 4.9 18.2 1.0 HG12 B:VAL152 5.0 17.7 1.0

J.Kreibich, J.H.Jeoung, H.Dobbek. Ligand Binding at the Ni,Ni-[4FE-4S] Cluster of Acetyl-Coa Synthase To Be Published.