Chlorine in PDB 5ovc: Pdz Domain From Rat SHANK3 Bound to the C Terminus of Gkap

The structure of Pdz Domain From Rat SHANK3 Bound to the C Terminus of Gkap, PDB code: 5ovc was solved by S.K.Ponna, M.Myllykoski, T.M.Boeckers, P.Kursula, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.61 / 1.55
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	51.550, 51.550, 81.770, 90.00, 90.00, 90.00
R / Rfree (%)	17.5 / 20.7

The binding sites of Chlorine atom in the Pdz Domain From Rat SHANK3 Bound to the C Terminus of Gkap (pdb code 5ovc). 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 Pdz Domain From Rat SHANK3 Bound to the C Terminus of Gkap, PDB code: 5ovc:

Chlorine binding site 1 out of 1 in the Pdz Domain From Rat SHANK3 Bound to the C Terminus of Gkap


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Pdz Domain From Rat SHANK3 Bound to the C Terminus of Gkap within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl701 b:33.9 occ:1.00 H A:ALA600 2.2 40.4 1.0 H A:LYS653 2.4 26.1 1.0 HG3 A:LYS653 2.7 50.6 1.0 HA A:LYS599 2.9 36.1 1.0 HB3 A:HIS652 3.0 28.6 1.0 HD3 A:LYS653 3.1 59.2 1.0 N A:ALA600 3.1 33.6 1.0 HD2 A:LYS653 3.1 59.2 1.0 HB2 A:LYS653 3.2 35.2 1.0 N A:LYS653 3.2 21.7 1.0 O A:HOH914 3.2 33.0 1.0 CG A:LYS653 3.3 42.2 1.0 O A:HOH870 3.3 35.2 1.0 CD A:LYS653 3.3 49.3 1.0 H A:HIS652 3.4 24.9 1.0 HB3 A:ALA600 3.5 48.8 1.0 HB2 A:ALA600 3.6 48.8 1.0 CA A:LYS599 3.6 30.1 1.0 HB3 A:LYS599 3.6 33.2 1.0 O A:HOH866 3.6 28.1 1.0 HG2 A:LYS599 3.6 36.1 1.0 CB A:LYS653 3.6 29.3 1.0 N A:HIS652 3.8 20.8 1.0 C A:LYS599 3.9 30.8 1.0 CB A:ALA600 3.9 40.7 1.0 CB A:HIS652 3.9 23.9 1.0 CB A:LYS599 4.0 27.7 1.0 CA A:LYS653 4.0 28.8 1.0 CA A:ALA600 4.1 35.5 1.0 CA A:HIS652 4.1 18.7 1.0 C A:HIS652 4.2 19.1 1.0 HG2 A:LYS653 4.2 50.6 1.0 HB2 A:HIS652 4.2 28.6 1.0 CG A:LYS599 4.3 30.1 1.0 H A:GLU601 4.4 47.3 1.0 HA3 A:GLY651 4.5 28.4 1.0 HB3 A:LYS653 4.5 35.2 1.0 HA A:LYS653 4.6 34.5 1.0 C A:GLY651 4.6 19.5 1.0 O A:ALA598 4.7 21.1 1.0 HA A:ALA600 4.7 42.6 1.0 H A:GLN654 4.7 30.1 1.0 HB1 A:ALA600 4.8 48.8 1.0 CE A:LYS653 4.8 72.8 1.0 N A:LYS599 4.8 24.2 1.0 HG3 A:LYS599 4.9 36.1 1.0 HD2 A:HIS652 4.9 23.4 1.0 HB2 A:LYS599 4.9 33.2 1.0 N A:GLU601 5.0 39.4 1.0 CG A:HIS652 5.0 20.6 1.0

S.K.Ponna, S.Ruskamo, M.Myllykoski, C.Keller, T.M.Boeckers, P.Kursula. Structural Basis For Pdz Domain Interactions in the Post-Synaptic Density Scaffolding Protein SHANK3. J. Neurochem. V. 145 449 2018.
ISSN: ESSN 1471-4159
PubMed: 29473168
DOI: 10.1111/JNC.14322