Chlorine in PDB 5dg0: Human APE1 Phosphorothioate Substrate Complex with MN2+

All present enzymatic activity of Human APE1 Phosphorothioate Substrate Complex with MN2+:
4.2.99.18;

The structure of Human APE1 Phosphorothioate Substrate Complex with MN2+, PDB code: 5dg0 was solved by B.D.Freudenthal, S.H.Wilson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.95 / 1.80
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	44.365, 60.601, 73.316, 83.12, 80.68, 89.04
R / Rfree (%)	16.6 / 20.5

The structure of Human APE1 Phosphorothioate Substrate Complex with MN2+ also contains other interesting chemical elements:

Manganese

(Mn)

7 atoms

The binding sites of Chlorine atom in the Human APE1 Phosphorothioate Substrate Complex with MN2+ (pdb code 5dg0). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Human APE1 Phosphorothioate Substrate Complex with MN2+, PDB code: 5dg0:

Chlorine binding site 1 out of 1 in the Human APE1 Phosphorothioate Substrate Complex with MN2+


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human APE1 Phosphorothioate Substrate Complex with MN2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl408 b:33.3 occ:1.00 O A:HOH566 2.8 25.0 1.0 NE2 B:HIS116 2.8 18.6 1.0 N A:TRP119 3.0 14.5 1.0 OE2 A:GLU101 3.0 20.4 1.0 O A:TRP119 3.4 17.2 1.0 O B:ARG136 3.5 19.4 1.0 CD2 B:HIS116 3.6 20.3 1.0 CA A:TYR118 3.7 14.2 1.0 O A:HOH514 3.7 27.9 1.0 OH A:TYR144 3.7 15.8 1.0 CD A:GLU101 3.7 23.6 1.0 OE1 A:GLU101 3.8 25.4 1.0 C A:TYR118 3.8 15.0 1.0 CA A:TRP119 3.8 15.6 1.0 CE1 B:HIS116 3.9 17.4 1.0 CB A:TRP119 4.0 17.8 1.0 C A:TRP119 4.1 14.4 1.0 N B:CYS138 4.2 17.9 1.0 CD1 A:TRP119 4.2 20.6 1.0 O A:GLN117 4.3 19.5 1.0 CA B:GLN137 4.4 20.9 1.0 O B:HOH522 4.5 20.4 1.0 CG A:TRP119 4.5 15.9 1.0 CB A:TYR118 4.5 16.5 1.0 C B:ARG136 4.6 20.6 1.0 OG B:SER115 4.6 16.5 1.0 C B:GLN137 4.6 21.9 1.0 CZ A:TYR144 4.7 16.4 1.0 N A:TYR118 4.7 14.0 1.0 CG B:HIS116 4.9 19.3 1.0 CB B:CYS138 4.9 18.1 1.0 C A:GLN117 4.9 19.3 1.0 CD2 A:TYR118 4.9 17.4 1.0 ND1 B:HIS116 5.0 18.4 1.0 N B:GLN137 5.0 19.0 1.0

B.D.Freudenthal, W.A.Beard, M.J.Cuneo, N.S.Dyrkheeva, S.H.Wilson. Capturing Snapshots of APE1 Processing Dna Damage. Nat.Struct.Mol.Biol. V. 22 924 2015.
ISSN: ESSN 1545-9985
PubMed: 26458045
DOI: 10.1038/NSMB.3105