Chlorine in PDB 4epq: Canonical Poly(Adp-Ribose) Glycohydrolase Rbpi Inhibitor Complex From Tetrahymena Thermophila

The structure of Canonical Poly(Adp-Ribose) Glycohydrolase Rbpi Inhibitor Complex From Tetrahymena Thermophila, PDB code: 4epq was solved by M.S.Dunstan, D.Leys, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.77 / 2.40
Space group	P 41
Cell size a, b, c (Å), α, β, γ (°)	80.680, 80.680, 89.420, 90.00, 90.00, 90.00
R / Rfree (%)	16.5 / 23.1

The binding sites of Chlorine atom in the Canonical Poly(Adp-Ribose) Glycohydrolase Rbpi Inhibitor Complex From Tetrahymena Thermophila (pdb code 4epq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Canonical Poly(Adp-Ribose) Glycohydrolase Rbpi Inhibitor Complex From Tetrahymena Thermophila, PDB code: 4epq:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Canonical Poly(Adp-Ribose) Glycohydrolase Rbpi Inhibitor Complex From Tetrahymena Thermophila


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Canonical Poly(Adp-Ribose) Glycohydrolase Rbpi Inhibitor Complex From Tetrahymena Thermophila within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:59.4 occ:1.00 CLF A:0RR501 0.0 59.4 1.0 CAT A:0RR501 1.7 75.5 1.0 CAL A:0RR501 2.6 76.4 1.0 CAN A:0RR501 2.7 61.0 1.0 OH A:TYR293 3.6 47.0 1.0 CG A:GLN254 3.7 34.2 1.0 CAM A:0RR501 3.9 72.7 1.0 CBC A:0RR501 4.0 69.8 1.0 CA A:GLN254 4.0 28.6 1.0 CD1 A:ILE257 4.2 30.7 1.0 CB A:GLN254 4.2 24.9 1.0 CG2 A:ILE257 4.3 27.9 1.0 CBD A:0RR501 4.4 77.0 1.0 O A:GLN254 4.5 37.0 1.0 CB A:ILE257 4.6 42.8 1.0 CZ A:TYR293 4.6 36.7 1.0 CD2 A:LEU226 4.6 41.4 1.0 OAB A:0RR501 4.7 46.4 1.0 C A:GLN254 4.8 34.5 1.0 CD1 A:TYR296 4.9 35.0 1.0 N A:GLN254 4.9 31.8 1.0 CD A:GLN254 4.9 43.6 1.0 CE1 A:TYR296 4.9 37.4 1.0 CE1 A:TYR293 5.0 35.7 1.0

Chlorine binding site 2 out of 3 in the Canonical Poly(Adp-Ribose) Glycohydrolase Rbpi Inhibitor Complex From Tetrahymena Thermophila


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Canonical Poly(Adp-Ribose) Glycohydrolase Rbpi Inhibitor Complex From Tetrahymena Thermophila within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:0.6 occ:1.00 CLG A:0RR501 0.0 0.6 1.0 CAU A:0RR501 1.8 0.8 1.0 CAJ A:0RR501 2.7 0.3 1.0 CAW A:0RR501 2.8 0.1 1.0 CAM A:0RR501 2.9 72.7 1.0 CAQ A:0RR501 3.1 1.0 1.0 O A:GLY295 3.5 50.3 1.0 CAL A:0RR501 3.7 76.4 1.0 CBD A:0RR501 3.7 77.0 1.0 NBF A:0RR501 3.9 83.3 1.0 C A:GLY295 4.0 49.4 1.0 N A:GLY295 4.0 41.8 1.0 CAI A:0RR501 4.0 0.3 1.0 CAV A:0RR501 4.1 0.6 1.0 CA A:GLY295 4.2 42.8 1.0 CAK A:0RR501 4.6 0.2 1.0 CB A:TYR296 4.7 43.6 1.0 CE1 A:TYR293 4.8 35.7 1.0 N A:TYR296 5.0 45.5 1.0

Chlorine binding site 3 out of 3 in the Canonical Poly(Adp-Ribose) Glycohydrolase Rbpi Inhibitor Complex From Tetrahymena Thermophila


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Canonical Poly(Adp-Ribose) Glycohydrolase Rbpi Inhibitor Complex From Tetrahymena Thermophila within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:0.6 occ:1.00 CLH A:0RR501 0.0 0.6 1.0 CAV A:0RR501 1.7 0.6 1.0 O A:PHE398 2.7 42.8 1.0 CAW A:0RR501 2.7 0.1 1.0 CAK A:0RR501 2.7 0.2 1.0 OAC A:0RR501 2.9 71.9 1.0 CAQ A:0RR501 2.9 1.0 1.0 CB A:PHE398 3.2 43.6 1.0 NBF A:0RR501 3.3 83.3 1.0 CAY A:0RR501 3.3 76.3 1.0 C A:PHE398 3.4 45.9 1.0 CA A:PHE398 3.8 40.1 1.0 CAI A:0RR501 4.0 0.3 1.0 CAU A:0RR501 4.0 0.8 1.0 CBD A:0RR501 4.4 77.0 1.0 CB A:GLN399 4.4 46.0 1.0 CG A:PHE398 4.4 62.1 1.0 CBB A:0RR501 4.4 72.4 1.0 N A:GLN399 4.4 39.9 1.0 CAJ A:0RR501 4.5 0.3 1.0 CG A:GLN399 4.7 51.1 1.0 CA A:GLN399 4.9 41.0 1.0 CBC A:0RR501 5.0 69.8 1.0

M.S.Dunstan, E.Barkauskaite, P.Lafite, C.E.Knezevic, A.Brassington, M.Ahel, P.J.Hergenrother, D.Leys, I.Ahel. Structure and Mechanism of A Canonical Poly(Adp-Ribose) Glycohydrolase. Nat Commun V. 3 878 2012.
ISSN: ESSN 2041-1723
PubMed: 22673905
DOI: 10.1038/NCOMMS1889