Zinc in PDB 8rsn: Macrodomain-Fused Sirtm (MFS1) From Fusarium Oxysporum F. Sp. Cubense Race 1

All present enzymatic activity of Macrodomain-Fused Sirtm (MFS1) From Fusarium Oxysporum F. Sp. Cubense Race 1:
3.1.3.84;

The structure of Macrodomain-Fused Sirtm (MFS1) From Fusarium Oxysporum F. Sp. Cubense Race 1, PDB code: 8rsn was solved by A.Ariza, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	99.86 / 2.22
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	61.739, 135.089, 147.625, 90, 90, 90
R / Rfree (%)	20.3 / 25.3

The structure of Macrodomain-Fused Sirtm (MFS1) From Fusarium Oxysporum F. Sp. Cubense Race 1 also contains other interesting chemical elements:

Potassium

(K)

2 atoms

The binding sites of Zinc atom in the Macrodomain-Fused Sirtm (MFS1) From Fusarium Oxysporum F. Sp. Cubense Race 1 (pdb code 8rsn). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Macrodomain-Fused Sirtm (MFS1) From Fusarium Oxysporum F. Sp. Cubense Race 1, PDB code: 8rsn:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Macrodomain-Fused Sirtm (MFS1) From Fusarium Oxysporum F. Sp. Cubense Race 1


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Macrodomain-Fused Sirtm (MFS1) From Fusarium Oxysporum F. Sp. Cubense Race 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn610 b:67.9 occ:1.00 SG A:CYS485 2.3 58.3 1.0 SG A:CYS488 2.3 69.7 1.0 SG A:CYS450 2.4 57.9 1.0 SG A:CYS446 2.4 53.1 1.0 CB A:CYS485 3.1 53.2 1.0 CB A:CYS446 3.2 50.2 1.0 CB A:CYS450 3.3 64.5 1.0 CB A:CYS488 3.4 73.4 1.0 N A:CYS488 3.8 67.3 1.0 N A:CYS450 4.1 55.1 1.0 CA A:CYS488 4.2 69.2 1.0 CA A:CYS450 4.3 63.5 1.0 CB A:ALA454 4.4 43.6 1.0 CA A:CYS485 4.6 54.5 1.0 CA A:CYS446 4.6 42.0 1.0 OG A:SER490 4.6 85.8 1.0 O A:HOH804 4.7 40.8 1.0 C A:CYS488 4.9 66.5 1.0 CB A:PHE487 4.9 63.0 1.0 N A:SER490 4.9 76.3 1.0 C A:PHE487 5.0 74.3 1.0 N A:GLY489 5.0 76.2 1.0

Zinc binding site 2 out of 2 in the Macrodomain-Fused Sirtm (MFS1) From Fusarium Oxysporum F. Sp. Cubense Race 1


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Macrodomain-Fused Sirtm (MFS1) From Fusarium Oxysporum F. Sp. Cubense Race 1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn609 b:33.0 occ:1.00 SG B:CYS485 2.2 30.6 1.0 SG B:CYS488 2.3 34.5 1.0 SG B:CYS450 2.3 39.6 1.0 SG B:CYS446 2.4 36.6 1.0 CB B:CYS485 3.2 29.9 1.0 CB B:CYS450 3.2 40.1 1.0 CB B:CYS446 3.2 35.9 1.0 CB B:CYS488 3.4 36.1 1.0 N B:CYS488 3.9 37.7 1.0 N B:CYS450 4.1 39.5 1.0 CB B:ALA454 4.2 31.6 1.0 CA B:CYS488 4.2 38.8 1.0 CA B:CYS450 4.2 43.1 1.0 CB B:PHE487 4.5 34.0 1.0 CA B:CYS446 4.5 33.2 1.0 CA B:CYS485 4.6 29.6 1.0 OG B:SER490 4.7 41.6 1.0 C B:PHE487 4.7 36.5 1.0 C B:CYS488 4.9 41.2 1.0 CB B:SER490 4.9 40.2 1.0 N B:SER490 5.0 37.5 1.0 N B:GLY489 5.0 41.9 1.0

A.Ariza, Q.Liu, N.Cowleson, I.Ahel, D.V.Filippov, J.G.M.Rack. Evolutionary and Molecular Basis of Adp-Ribosylation Reversal By Zinc-Dependent Macrodomains To Be Published.