Chlorine in PDB 6v3w: Human Poly(Adp-Ribose) Polymerase 12, Catalytic Fragment with Four Point Mutations in Complex with Rbn-2397

The structure of Human Poly(Adp-Ribose) Polymerase 12, Catalytic Fragment with Four Point Mutations in Complex with Rbn-2397, PDB code: 6v3w was solved by K.K.Swinger, J.M.Gozgit, M.M.Vasbinder, T.J.Wigle, K.W.Kuntz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	69.78 / 2.04
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	80.466, 80.466, 142.648, 90.00, 90.00, 120.00
R / Rfree (%)	21 / 25.5

The structure of Human Poly(Adp-Ribose) Polymerase 12, Catalytic Fragment with Four Point Mutations in Complex with Rbn-2397 also contains other interesting chemical elements:

Fluorine

(F)

6 atoms

The binding sites of Chlorine atom in the Human Poly(Adp-Ribose) Polymerase 12, Catalytic Fragment with Four Point Mutations in Complex with Rbn-2397 (pdb code 6v3w). 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 Poly(Adp-Ribose) Polymerase 12, Catalytic Fragment with Four Point Mutations in Complex with Rbn-2397, PDB code: 6v3w:

Chlorine binding site 1 out of 1 in the Human Poly(Adp-Ribose) Polymerase 12, Catalytic Fragment with Four Point Mutations in Complex with Rbn-2397


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Poly(Adp-Ribose) Polymerase 12, Catalytic Fragment with Four Point Mutations in Complex with Rbn-2397 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl702 b:0.3 occ:1.00 OG A:SER595 3.1 56.8 1.0 O A:PHE579 3.6 63.6 1.0 CD1 A:TRP581 3.7 91.5 1.0 CB A:SER595 3.8 55.2 1.0 O A:ILE663 3.9 58.1 1.0 N A:TRP581 3.9 80.5 1.0 CA A:ASP580 4.0 76.6 1.0 C A:PHE579 4.2 61.7 1.0 CA A:LYS666 4.2 54.3 1.0 N A:LYS666 4.2 50.1 1.0 N A:SER595 4.2 54.9 1.0 CB A:LYS666 4.3 60.5 1.0 N A:ASP580 4.4 68.0 1.0 C A:ASP580 4.5 79.2 1.0 C A:GLU665 4.5 55.9 1.0 C A:PHE664 4.6 58.3 1.0 CG A:TRP581 4.6 90.8 1.0 O A:PHE664 4.6 66.7 1.0 NE1 A:TRP581 4.6 96.8 1.0 CA A:SER595 4.6 54.1 1.0 CB A:TRP581 4.7 87.0 1.0 N A:GLU665 4.7 53.5 1.0 C A:ILE663 4.8 56.9 1.0 OD1 A:ASP580 4.9 92.6 1.0 CA A:TRP581 4.9 86.3 1.0 O A:GLU665 4.9 52.2 1.0 CA A:PHE664 5.0 55.5 1.0

J.M.Gozgit, M.M.Vasbinder, R.Abo, K.Kunii, K.Kuplast-Barr, B.Gui, A.Lu, K.K.Swinger, T.J.Wigle, D.Blackwell, C.R.Majer, Y.Ren, M.Niepel, Z.Varsamis, S.Nayak, E.Bamberg, J.Mo, W.D.Church, J.Song, L.Utley, K.W.Kuntz, V.Richon, H.Keilhack. PARP7 Negatively Regulates the Type I Interferon Response in Cancer Cells, and Its Inhibition Triggers Antitumor Immunity To Be Published.