Chlorine in PDB 8adj: Poly(Adp-Ribose) Glycohydrolase (Parg) From Drosophila Melanogaster in Complex with Parg Inhibitor PDD00017272

Enzymatic activity of Poly(Adp-Ribose) Glycohydrolase (Parg) From Drosophila Melanogaster in Complex with Parg Inhibitor PDD00017272

All present enzymatic activity of Poly(Adp-Ribose) Glycohydrolase (Parg) From Drosophila Melanogaster in Complex with Parg Inhibitor PDD00017272:
3.2.1.143;

Protein crystallography data

The structure of Poly(Adp-Ribose) Glycohydrolase (Parg) From Drosophila Melanogaster in Complex with Parg Inhibitor PDD00017272, PDB code: 8adj 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) 59.02 / 2.51
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 93.392, 115.919, 123.267, 90, 112.21, 90
R / Rfree (%) 18.3 / 22.3

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Poly(Adp-Ribose) Glycohydrolase (Parg) From Drosophila Melanogaster in Complex with Parg Inhibitor PDD00017272 (pdb code 8adj). 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 in Complex with Parg Inhibitor PDD00017272, PDB code: 8adj:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 8adj

Go back to Chlorine Binding Sites List in 8adj
Chlorine binding site 1 out of 3 in the Poly(Adp-Ribose) Glycohydrolase (Parg) From Drosophila Melanogaster in Complex with Parg Inhibitor PDD00017272


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 in Complex with Parg Inhibitor PDD00017272 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl607

b:68.2
occ:1.00
 NH2 A:ARG115 2.6 72.9 1.0
NE A:ARG97 2.8 116.6 1.0
CD A:ARG97 3.2 120.7 1.0
NH2 C:ARG224 3.4 80.2 1.0
CZ A:ARG97 3.4 96.4 1.0
CZ A:ARG115 3.8 76.5 1.0
NH2 A:ARG97 3.9 96.5 1.0
CD A:ARG115 3.9 70.5 1.0
CG A:MET112 4.2 66.7 1.0
NH1 A:ARG97 4.3 100.4 1.0
NE A:ARG115 4.3 81.9 1.0
CZ C:ARG224 4.5 95.3 1.0
CB A:MET112 4.7 56.5 1.0
CG A:ARG97 4.7 104.5 1.0
CA A:MET112 4.7 55.1 1.0
NH1 C:ARG224 4.8 79.3 1.0
OD2 A:ASP107 4.8 101.4 1.0
CB A:ARG115 4.9 65.8 1.0
NH1 A:ARG115 4.9 75.0 1.0
CE A:MET112 4.9 65.9 1.0

Chlorine binding site 2 out of 3 in 8adj

Go back to Chlorine Binding Sites List in 8adj
Chlorine binding site 2 out of 3 in the Poly(Adp-Ribose) Glycohydrolase (Parg) From Drosophila Melanogaster in Complex with Parg Inhibitor PDD00017272


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 in Complex with Parg Inhibitor PDD00017272 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl605

b:88.9
occ:1.00
 NH2 B:ARG115 3.2 56.4 1.0
CD B:ARG97 3.3 120.3 1.0
NH2 A:ARG224 3.4 89.4 1.0
NE B:ARG97 3.4 126.4 1.0
CZ B:ARG97 3.7 114.3 1.0
NH1 A:ARG224 3.8 89.7 1.0
CZ A:ARG224 4.0 91.6 1.0
CD B:ARG115 4.1 63.9 1.0
NH2 B:ARG97 4.1 119.9 1.0
CG B:MET112 4.2 56.1 1.0
NH1 B:ARG97 4.4 73.9 1.0
CZ B:ARG115 4.4 65.6 1.0
CB B:MET112 4.5 56.4 1.0
CA B:MET112 4.6 52.9 1.0
CE B:MET112 4.6 64.8 1.0
CB B:ARG115 4.7 63.4 1.0
NE B:ARG115 4.7 69.1 1.0
CG B:ARG97 4.8 110.7 1.0
O B:MET112 5.0 54.2 1.0

Chlorine binding site 3 out of 3 in 8adj

Go back to Chlorine Binding Sites List in 8adj
Chlorine binding site 3 out of 3 in the Poly(Adp-Ribose) Glycohydrolase (Parg) From Drosophila Melanogaster in Complex with Parg Inhibitor PDD00017272


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 in Complex with Parg Inhibitor PDD00017272 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl605

b:88.2
occ:1.00
 O C:HOH717 2.7 61.4 1.0
O C:GLU227 3.5 76.2 1.0
NZ C:LYS190 3.6 77.2 1.0
O C:SER82 4.0 53.0 1.0
CE1 C:PHE231 4.2 45.7 1.0
CG C:GLU227 4.5 69.3 1.0
C C:GLU227 4.6 69.9 1.0
CE C:LYS190 4.7 66.1 1.0
CD1 C:LEU188 4.8 56.3 1.0
CE1 C:TYR228 4.9 65.6 1.0
CZ C:PHE231 4.9 49.8 1.0
OE1 C:GLU227 5.0 66.4 1.0
CD1 C:PHE231 5.0 49.2 1.0
CD1 C:TYR228 5.0 62.0 1.0

Reference:

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
Page generated: Tue Jul 30 06:34:50 2024

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