Chlorine in PDB 8dmu: Crystal Structure of Macrodomain CG3568 From Drosophila Melanogaster in Complex with Adp-Ribose

The structure of Crystal Structure of Macrodomain CG3568 From Drosophila Melanogaster in Complex with Adp-Ribose, PDB code: 8dmu was solved by Z.Zhang, C.Das, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	92.25 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	104.048, 129.805, 199.433, 90, 90, 90
R / Rfree (%)	23.2 / 27.3

The structure of Crystal Structure of Macrodomain CG3568 From Drosophila Melanogaster in Complex with Adp-Ribose also contains other interesting chemical elements:

Nickel

(Ni)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Macrodomain CG3568 From Drosophila Melanogaster in Complex with Adp-Ribose (pdb code 8dmu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of Macrodomain CG3568 From Drosophila Melanogaster in Complex with Adp-Ribose, PDB code: 8dmu:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in the Crystal Structure of Macrodomain CG3568 From Drosophila Melanogaster in Complex with Adp-Ribose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Macrodomain CG3568 From Drosophila Melanogaster in Complex with Adp-Ribose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl606 b:53.5 occ:1.00 O A:HOH955 3.2 37.4 1.0 N A:ASP74 3.5 32.2 1.0 N A:SER75 3.8 28.5 1.0 CB A:ILE73 4.0 32.2 1.0 CG2 A:ILE73 4.1 33.9 1.0 CA A:ILE73 4.2 34.4 1.0 CA A:ASP74 4.3 32.5 1.0 CB A:SER75 4.3 31.7 1.0 C A:ILE73 4.4 33.0 1.0 C A:ASP74 4.5 29.3 1.0 CB A:ASP74 4.5 33.5 1.0 OG A:SER75 4.6 32.9 1.0 CA A:SER75 4.6 28.9 1.0

Chlorine binding site 2 out of 6 in the Crystal Structure of Macrodomain CG3568 From Drosophila Melanogaster in Complex with Adp-Ribose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Macrodomain CG3568 From Drosophila Melanogaster in Complex with Adp-Ribose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl607 b:55.2 occ:1.00 NH2 A:ARG224 3.2 53.2 1.0 NH1 A:ARG224 3.7 49.2 1.0 N A:LYS219 3.7 43.5 1.0 CZ A:ARG224 3.9 49.9 1.0 CB A:ASN218 4.0 47.0 1.0 CA A:ASN218 4.1 47.1 1.0 C A:ASN218 4.5 45.2 1.0 CB A:LYS219 4.5 40.2 1.0 CG A:LYS219 4.7 39.9 1.0 CA A:LYS219 4.7 42.4 1.0

Chlorine binding site 3 out of 6 in the Crystal Structure of Macrodomain CG3568 From Drosophila Melanogaster in Complex with Adp-Ribose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Macrodomain CG3568 From Drosophila Melanogaster in Complex with Adp-Ribose within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl606 b:53.0 occ:1.00 N B:ASP74 3.6 32.4 1.0 O B:HOH936 3.7 37.1 1.0 N B:SER75 4.0 31.5 1.0 CG2 B:ILE73 4.3 36.2 1.0 CB B:ILE73 4.4 36.1 1.0 CA B:ASP74 4.4 34.2 1.0 CA B:ILE73 4.4 35.3 1.0 CB B:ASP74 4.4 36.5 1.0 C B:ILE73 4.5 35.0 1.0 CB B:SER75 4.6 31.9 1.0 C B:ASP74 4.6 31.5 1.0 OG B:SER75 4.7 33.9 1.0 CA B:SER75 4.8 31.1 1.0

Chlorine binding site 4 out of 6 in the Crystal Structure of Macrodomain CG3568 From Drosophila Melanogaster in Complex with Adp-Ribose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Macrodomain CG3568 From Drosophila Melanogaster in Complex with Adp-Ribose within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl607 b:39.3 occ:1.00 O B:HOH881 3.1 26.0 1.0 NE B:ARG363 3.2 30.2 1.0 CB B:ARG363 3.8 25.3 1.0 CD B:ARG363 4.0 27.9 1.0 CA B:GLN360 4.0 26.9 1.0 CZ B:ARG363 4.2 30.1 1.0 NH2 B:ARG363 4.2 28.8 1.0 CB B:GLN360 4.2 27.8 1.0 CD1 B:LEU393 4.3 27.9 1.0 O B:ARG359 4.3 25.4 1.0 CG B:GLN360 4.4 33.8 1.0 CG B:ARG363 4.5 26.1 1.0 N B:GLN360 4.8 25.4 1.0 C B:ARG359 4.9 24.6 1.0 C B:GLN360 4.9 25.2 1.0 CD2 B:LEU393 4.9 28.0 1.0 O B:GLN360 5.0 24.3 1.0

Chlorine binding site 5 out of 6 in the Crystal Structure of Macrodomain CG3568 From Drosophila Melanogaster in Complex with Adp-Ribose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Macrodomain CG3568 From Drosophila Melanogaster in Complex with Adp-Ribose within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl608 b:52.4 occ:1.00 O B:HOH961 2.2 42.8 1.0 O B:HOH1071 2.4 54.3 1.0 O B:HOH1017 2.6 52.9 1.0 NH2 B:ARG224 3.4 51.0 1.0 NH1 B:ARG224 3.6 52.8 1.0 CZ B:ARG224 3.9 51.1 1.0 N B:LYS219 4.1 43.7 1.0 CB B:ASN218 4.3 41.7 1.0 O B:HOH1042 4.6 46.7 1.0 CA B:ASN218 4.6 43.2 1.0 CB B:LYS219 4.7 38.0 1.0 CG B:LYS219 4.7 40.0 1.0 C B:ASN218 4.9 43.3 1.0

Chlorine binding site 6 out of 6 in the Crystal Structure of Macrodomain CG3568 From Drosophila Melanogaster in Complex with Adp-Ribose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Macrodomain CG3568 From Drosophila Melanogaster in Complex with Adp-Ribose within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl604 b:55.5 occ:1.00 NH1 D:ARG224 3.4 42.5 1.0 N D:LYS219 3.8 48.8 1.0 NH2 D:ARG224 3.9 47.6 1.0 CZ D:ARG224 4.1 48.8 1.0 O D:HOH938 4.1 54.4 1.0 CA D:ASN218 4.2 50.8 1.0 CB D:ASN218 4.2 51.0 1.0 CG D:LYS219 4.4 42.4 1.0 CB D:LYS219 4.4 44.6 1.0 C D:ASN218 4.5 49.2 1.0 CA D:LYS219 4.6 44.3 1.0

Z.Zhang, C.Das. Structure of Adp-Ribose-Bound Drosophila Macrodomain CG3568 To Be Published.