Chlorine in PDB 6hch: Structure of GLUA2 Ligand-Binding Domain (S1S2J-L504Y-N775S) in Complex with Glutamate and TDPAM01 at 1.6 A Resolution.

The structure of Structure of GLUA2 Ligand-Binding Domain (S1S2J-L504Y-N775S) in Complex with Glutamate and TDPAM01 at 1.6 A Resolution., PDB code: 6hch was solved by S.Laulumaa, K.V.Hansen, K.Frydenvang, J.S.Kastrup, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.24 / 1.60
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	114.630, 163.580, 47.528, 90.00, 90.00, 90.00
R / Rfree (%)	15.5 / 17.8

The structure of Structure of GLUA2 Ligand-Binding Domain (S1S2J-L504Y-N775S) in Complex with Glutamate and TDPAM01 at 1.6 A Resolution. also contains other interesting chemical elements:

Zinc

(Zn)

23 atoms

The binding sites of Chlorine atom in the Structure of GLUA2 Ligand-Binding Domain (S1S2J-L504Y-N775S) in Complex with Glutamate and TDPAM01 at 1.6 A Resolution. (pdb code 6hch). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Structure of GLUA2 Ligand-Binding Domain (S1S2J-L504Y-N775S) in Complex with Glutamate and TDPAM01 at 1.6 A Resolution., PDB code: 6hch:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Structure of GLUA2 Ligand-Binding Domain (S1S2J-L504Y-N775S) in Complex with Glutamate and TDPAM01 at 1.6 A Resolution.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of GLUA2 Ligand-Binding Domain (S1S2J-L504Y-N775S) in Complex with Glutamate and TDPAM01 at 1.6 A Resolution. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl309 b:65.4 occ:1.00 H B:THR5 2.1 36.0 1.0 HG3 B:LYS4 2.7 70.5 1.0 HG1 B:THR5 2.7 39.2 1.0 HA B:LYS4 3.0 39.9 1.0 N B:THR5 3.0 30.0 1.0 HG2 B:LYS4 3.1 70.5 1.0 HB B:THR5 3.2 36.2 1.0 CG B:LYS4 3.3 58.8 1.0 OG1 B:THR5 3.4 32.6 1.0 CB B:THR5 3.7 30.2 1.0 CA B:LYS4 3.7 33.2 1.0 C B:LYS4 3.8 26.6 1.0 CA B:THR5 3.9 22.6 1.0 O B:HOH455 4.0 38.4 1.0 CB B:LYS4 4.0 43.8 1.0 HE3 B:LYS4 4.2 80.7 1.0 HE2 B:LYS4 4.5 80.7 1.0 HB2 B:LYS4 4.6 52.6 1.0 CD B:LYS4 4.6 64.8 1.0 O B:THR5 4.6 23.5 1.0 HA B:THR5 4.6 27.1 1.0 CE B:LYS4 4.7 67.2 1.0 HB3 B:LYS4 4.8 52.6 1.0 C B:THR5 4.8 25.7 1.0 O B:ASN3 4.9 39.3 1.0 N B:LYS4 5.0 31.4 1.0

Chlorine binding site 2 out of 3 in the Structure of GLUA2 Ligand-Binding Domain (S1S2J-L504Y-N775S) in Complex with Glutamate and TDPAM01 at 1.6 A Resolution.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of GLUA2 Ligand-Binding Domain (S1S2J-L504Y-N775S) in Complex with Glutamate and TDPAM01 at 1.6 A Resolution. within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl315 b:68.2 occ:1.00 H C:THR5 2.2 26.1 1.0 HG3 C:LYS4 2.8 65.2 1.0 HG1 C:THR5 2.8 31.2 1.0 HA C:LYS4 3.0 33.9 1.0 N C:THR5 3.1 21.7 1.0 HG2 C:LYS4 3.3 65.2 1.0 HB C:THR5 3.4 30.0 1.0 CG C:LYS4 3.4 54.3 1.0 OG1 C:THR5 3.5 26.0 1.0 CA C:LYS4 3.8 28.2 1.0 CB C:THR5 3.8 24.9 1.0 C C:LYS4 3.9 23.2 1.0 CA C:THR5 4.0 19.2 1.0 O C:HOH452 4.1 33.3 1.0 CB C:LYS4 4.1 35.2 1.0 HE3 C:LYS4 4.3 76.5 1.0 HB2 C:LYS4 4.6 42.2 1.0 CD C:LYS4 4.7 61.8 1.0 HE2 C:LYS4 4.7 76.5 1.0 HA C:THR5 4.7 23.0 1.0 CE C:LYS4 4.8 63.8 1.0 O C:THR5 4.8 20.1 1.0 O C:ASN3 4.9 35.2 1.0 HB3 C:LYS4 4.9 42.2 1.0 C C:THR5 4.9 19.7 1.0

Chlorine binding site 3 out of 3 in the Structure of GLUA2 Ligand-Binding Domain (S1S2J-L504Y-N775S) in Complex with Glutamate and TDPAM01 at 1.6 A Resolution.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of GLUA2 Ligand-Binding Domain (S1S2J-L504Y-N775S) in Complex with Glutamate and TDPAM01 at 1.6 A Resolution. within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl316 b:63.2 occ:1.00 H C:ALA153 2.2 31.5 1.0 N C:ALA153 3.0 26.2 1.0 HB2 C:ALA153 3.1 38.8 1.0 HA C:ILE152 3.1 27.1 1.0 HG23 C:ILE152 3.1 39.3 1.0 HB3 C:ALA153 3.2 38.8 1.0 CB C:ALA153 3.5 32.3 1.0 O C:HOH623 3.5 31.8 1.0 CA C:ALA153 3.9 29.0 1.0 CA C:ILE152 3.9 22.6 1.0 C C:ILE152 3.9 24.7 1.0 CG2 C:ILE152 4.0 32.8 1.0 HG22 C:ILE152 4.2 39.3 1.0 HB1 C:ALA153 4.4 38.8 1.0 HA C:ALA153 4.4 34.8 1.0 H C:VAL154 4.5 27.1 1.0 HG12 C:ILE152 4.5 38.1 1.0 CB C:ILE152 4.5 25.8 1.0 O C:LYS151 4.7 32.3 1.0 HG21 C:ILE152 4.7 39.3 1.0

S.Laulumaa, K.V.Hansen, M.Masternak, T.Drapier, P.Francotte, B.Pirotte, K.Frydenvang, J.S.Kastrup. Crystal Structures of Potent Dimeric Positive Allosteric Modulators at the Ligand-Binding Domain of the GLUA2 Receptor. Acs Med.Chem.Lett. V. 10 243 2019.
ISSN: ISSN 1948-5875
PubMed: 30891120
DOI: 10.1021/ACSMEDCHEMLETT.8B00369