Chlorine in PDB 8adk: Poly(Adp-Ribose) Glycohydrolase (Parg) From Drosophila Melanogaster

All present enzymatic activity of Poly(Adp-Ribose) Glycohydrolase (Parg) From Drosophila Melanogaster:
3.2.1.143;

The structure of Poly(Adp-Ribose) Glycohydrolase (Parg) From Drosophila Melanogaster, PDB code: 8adk was solved by A.Ariza, P.Fontana, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	59.03 / 2.47
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	93.433, 115.622, 122.913, 90, 112.21, 90
R / Rfree (%)	17.7 / 22.8

The binding sites of Chlorine atom in the Poly(Adp-Ribose) Glycohydrolase (Parg) From Drosophila Melanogaster (pdb code 8adk). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Poly(Adp-Ribose) Glycohydrolase (Parg) From Drosophila Melanogaster, PDB code: 8adk:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Poly(Adp-Ribose) Glycohydrolase (Parg) From Drosophila Melanogaster


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Poly(Adp-Ribose) Glycohydrolase (Parg) From Drosophila Melanogaster within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl606 b:65.6 occ:1.00 NE A:ARG97 2.7 117.8 1.0 NH2 A:ARG115 3.0 70.6 1.0 CD A:ARG97 3.4 128.7 1.0 NH2 C:ARG224 3.4 73.2 1.0 CZ A:ARG97 3.6 96.3 1.0 CD A:ARG115 3.7 63.3 1.0 CZ A:ARG115 4.0 69.7 1.0 NH2 A:ARG97 4.1 107.2 1.0 CG A:MET112 4.2 75.3 1.0 NE A:ARG115 4.2 66.0 1.0 NH1 A:ARG97 4.5 89.9 1.0 CZ C:ARG224 4.6 82.6 1.0 CB A:MET112 4.6 57.5 1.0 CA A:MET112 4.7 55.2 1.0 O A:HOH803 4.7 53.5 1.0 CG A:ARG97 4.7 106.1 1.0 CE A:MET112 4.8 70.1 1.0 CB A:ARG115 4.9 61.2 1.0 NH1 C:ARG224 4.9 72.3 1.0 CG A:ARG115 5.0 66.0 1.0

Chlorine binding site 2 out of 3 in the Poly(Adp-Ribose) Glycohydrolase (Parg) From Drosophila Melanogaster


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Poly(Adp-Ribose) Glycohydrolase (Parg) From Drosophila Melanogaster within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl607 b:75.2 occ:1.00 O4 A:SO4604 3.1 55.8 1.0 O2 A:SO4604 3.8 45.4 1.0 N A:ARG218 3.8 48.6 1.0 CB A:PRO217 4.0 39.3 1.0 CA A:PRO217 4.0 43.6 1.0 NE A:ARG109 4.0 49.8 1.0 O A:HOH741 4.1 34.9 1.0 S A:SO4604 4.1 67.0 1.0 CZ A:ARG109 4.2 60.8 1.0 CD A:ARG109 4.3 49.2 1.0 C A:PRO217 4.4 43.2 1.0 CE1 A:TYR95 4.4 51.3 1.0 NH2 A:ARG109 4.5 58.0 1.0 CD1 A:TYR95 4.6 48.6 1.0 NH1 A:ARG109 4.6 47.6 1.0 CA A:ARG218 4.7 44.2 1.0 CG A:ARG218 4.7 49.6 1.0

Chlorine binding site 3 out of 3 in the Poly(Adp-Ribose) Glycohydrolase (Parg) From Drosophila Melanogaster


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Poly(Adp-Ribose) Glycohydrolase (Parg) From Drosophila Melanogaster within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl604 b:85.4 occ:1.00 NH2 B:ARG115 3.2 56.2 1.0 CD B:ARG97 3.2 123.9 1.0 O B:HOH755 3.3 53.5 1.0 NH2 A:ARG224 3.3 78.1 1.0 NE B:ARG97 3.4 124.7 1.0 CZ B:ARG97 3.7 106.0 1.0 CD B:ARG115 3.9 55.4 1.0 NH2 B:ARG97 4.0 107.7 1.0 NH1 A:ARG224 4.0 79.9 1.0 CZ A:ARG224 4.1 89.6 1.0 CG B:MET112 4.2 55.3 1.0 CZ B:ARG115 4.3 62.6 1.0 NH1 B:ARG97 4.3 68.3 1.0 CB B:MET112 4.5 57.0 1.0 NE B:ARG115 4.5 61.1 1.0 CA B:MET112 4.6 50.6 1.0 CG B:ARG97 4.6 108.8 1.0 CB B:ARG115 4.7 53.7 1.0 CE B:MET112 4.7 68.2 1.0 CG B:ARG115 5.0 57.5 1.0

P.Fontana, S.C.Buch-Larsen, O.Suyari, R.Smith, M.J.Suskiewicz, K.Schutzenhofer, A.Ariza, J.G.M.Rack, M.L.Nielsen, I.Ahel. Serine Adp-Ribosylation in Drosophila Provides Insights Into the Evolution of Reversible Adp-Ribosylation Signalling. Nat Commun V. 14 3200 2023.
ISSN: ESSN 2041-1723
PubMed: 37268618
DOI: 10.1038/S41467-023-38793-Y