Zinc in PDB 8rsj: Crystal Structure of Methanobrevibacter Oralis Macrodomain in Complex with Adpr in Open Conformation

The structure of Crystal Structure of Methanobrevibacter Oralis Macrodomain in Complex with Adpr in Open Conformation, PDB code: 8rsj was solved by A.Ariza, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	67.39 / 1.66
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	75.986, 58.101, 76.269, 90, 117.66, 90
R / Rfree (%)	19.2 / 23.2

The binding sites of Zinc atom in the Crystal Structure of Methanobrevibacter Oralis Macrodomain in Complex with Adpr in Open Conformation (pdb code 8rsj). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Methanobrevibacter Oralis Macrodomain in Complex with Adpr in Open Conformation, PDB code: 8rsj:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Methanobrevibacter Oralis Macrodomain in Complex with Adpr in Open Conformation


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Methanobrevibacter Oralis Macrodomain in Complex with Adpr in Open Conformation within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:16.0 occ:1.00 O A:HOH513 2.0 15.7 1.0 ND1 A:HIS112 2.0 14.9 1.0 SG A:CYS114 2.3 18.2 1.0 SG A:CYS107 2.4 16.5 1.0 CE1 A:HIS112 2.9 15.8 1.0 CG A:HIS112 3.1 15.2 1.0 CB A:CYS114 3.3 17.0 1.0 CB A:CYS107 3.3 15.9 1.0 CB A:HIS112 3.5 17.3 1.0 O1C A:JNT302 4.0 17.0 1.0 NE2 A:HIS112 4.1 16.7 1.0 CD2 A:HIS112 4.2 16.1 1.0 CB A:ASN117 4.3 16.7 1.0 N A:CYS114 4.4 18.5 1.0 CA A:CYS114 4.4 18.7 1.0 C1A A:JNT302 4.5 20.9 1.0 CA A:CYS107 4.5 16.7 1.0 CD1 A:ILE109 4.7 20.4 1.0 O A:HIS112 4.7 19.1 1.0 CA A:HIS112 4.7 17.6 1.0 ND2 A:ASN117 4.8 16.3 1.0 C A:HIS112 4.8 19.5 1.0 N A:ASN117 4.8 17.5 1.0 CB A:ILE109 4.9 19.6 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Methanobrevibacter Oralis Macrodomain in Complex with Adpr in Open Conformation


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Methanobrevibacter Oralis Macrodomain in Complex with Adpr in Open Conformation within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn301 b:16.0 occ:1.00 ND1 B:HIS112 2.0 18.0 1.0 O B:HOH488 2.1 16.5 1.0 SG B:CYS114 2.3 17.9 1.0 SG B:CYS107 2.3 16.2 1.0 CE1 B:HIS112 2.9 20.0 1.0 CG B:HIS112 3.0 18.0 1.0 CB B:CYS107 3.2 16.8 1.0 CB B:HIS112 3.4 17.4 1.0 CB B:CYS114 3.4 16.5 1.0 O B:HOH466 3.7 20.5 1.0 O1C B:JNT302 4.0 16.4 1.0 NE2 B:HIS112 4.1 20.0 1.0 CD2 B:HIS112 4.2 21.6 1.0 CB B:ASN117 4.2 14.4 1.0 N B:CYS114 4.4 17.2 1.0 C1A B:JNT302 4.5 16.8 1.0 CA B:CYS114 4.5 17.4 1.0 CA B:CYS107 4.5 17.8 1.0 CA B:HIS112 4.7 18.0 1.0 ND2 B:ASN117 4.8 17.2 1.0 C B:HIS112 4.8 18.7 1.0 N B:ASN117 4.9 14.7 1.0 CB B:ILE109 4.9 16.4 1.0 O B:HIS112 4.9 17.6 1.0 CD1 B:ILE109 5.0 19.3 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.