Chlorine in PDB 4io3: Crystal Structure of the AVGLUR1 Ligand Binding Domain Complex with Aspartate at 1.66 Angstrom Resolution

The structure of Crystal Structure of the AVGLUR1 Ligand Binding Domain Complex with Aspartate at 1.66 Angstrom Resolution, PDB code: 4io3 was solved by S.Lomash, S.Chittori, M.L.Mayer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.76 / 1.66
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	55.132, 100.364, 56.896, 90.00, 116.40, 90.00
R / Rfree (%)	15.7 / 18

The binding sites of Chlorine atom in the Crystal Structure of the AVGLUR1 Ligand Binding Domain Complex with Aspartate at 1.66 Angstrom Resolution (pdb code 4io3). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of the AVGLUR1 Ligand Binding Domain Complex with Aspartate at 1.66 Angstrom Resolution, PDB code: 4io3:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of the AVGLUR1 Ligand Binding Domain Complex with Aspartate at 1.66 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the AVGLUR1 Ligand Binding Domain Complex with Aspartate at 1.66 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:23.1 occ:0.92 HH12 A:ARG93 2.5 14.6 1.0 HH22 A:ARG93 2.5 17.2 1.0 O A:HOH457 2.8 26.3 1.0 HB3 A:LYS213 2.8 20.0 1.0 O A:HOH510 2.9 39.6 1.0 HB2 B:LYS219 3.0 18.6 1.0 H A:GLU214 3.0 18.0 1.0 HD2 A:LYS213 3.2 24.9 1.0 NH1 A:ARG93 3.2 12.2 1.0 NH2 A:ARG93 3.3 14.4 1.0 HG2 A:LYS213 3.3 19.9 1.0 HG3 A:GLU214 3.3 31.2 1.0 HA A:LYS213 3.4 19.5 1.0 CB A:LYS213 3.5 16.7 1.0 N A:GLU214 3.7 15.0 1.0 CG A:LYS213 3.7 16.6 1.0 CZ A:ARG93 3.7 11.8 1.0 HB2 A:ALA97 3.7 14.0 1.0 CD A:LYS213 3.9 20.8 1.0 CA A:LYS213 3.9 16.3 1.0 HH11 A:ARG93 3.9 14.6 1.0 CB B:LYS219 4.0 15.5 1.0 HH21 A:ARG93 4.0 17.2 1.0 O B:HOH427 4.0 19.5 1.0 HG2 A:GLU214 4.1 31.2 1.0 CG A:GLU214 4.2 26.0 1.0 HB3 B:ALA218 4.2 17.1 1.0 C A:LYS213 4.2 16.6 1.0 HD3 A:LYS213 4.3 24.9 1.0 HG3 B:LYS219 4.3 18.3 1.0 H B:LYS219 4.3 15.8 1.0 HB2 A:LYS213 4.4 20.0 1.0 HA B:LYS219 4.4 15.9 1.0 HB3 B:LYS219 4.5 18.6 1.0 HD3 B:LYS219 4.5 36.6 1.0 CA B:LYS219 4.6 13.2 1.0 N B:LYS219 4.6 13.1 1.0 HA A:GLU214 4.6 24.2 1.0 CG B:LYS219 4.6 15.2 1.0 HG3 A:LYS213 4.6 19.9 1.0 CA A:GLU214 4.7 20.2 1.0 CB A:ALA97 4.7 11.6 1.0 O B:HOH522 4.7 30.8 1.0 O B:HOH482 4.8 33.0 1.0 OE2 A:GLU214 4.9 41.2 1.0 HB1 A:ALA97 4.9 14.0 1.0 HB1 B:ALA218 5.0 17.1 1.0 HE3 A:LYS213 5.0 24.7 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of the AVGLUR1 Ligand Binding Domain Complex with Aspartate at 1.66 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the AVGLUR1 Ligand Binding Domain Complex with Aspartate at 1.66 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:22.6 occ:0.82 HG1 B:THR206 2.3 15.3 1.0 HD21 A:ASN100 2.3 37.6 1.0 HH22 A:ARG229 2.5 28.7 1.0 H A:SER101 3.0 12.6 1.0 HH12 A:ARG229 3.0 21.0 1.0 OG1 B:THR206 3.1 12.8 1.0 ND2 A:ASN100 3.2 31.4 1.0 O B:HOH594 3.3 31.3 1.0 HG21 B:THR206 3.3 14.2 1.0 NH2 A:ARG229 3.4 23.9 1.0 O B:HOH578 3.4 36.9 1.0 HB3 B:SER101 3.5 16.0 0.6 HB3 A:ASN100 3.5 16.7 1.0 HA A:ASN100 3.6 9.2 1.0 HD22 A:ASN100 3.6 37.6 1.0 HB2 B:SER101 3.6 18.0 0.4 HG11 B:VAL88 3.7 8.4 1.0 HG21 B:VAL88 3.7 11.0 1.0 NH1 A:ARG229 3.8 17.5 1.0 N A:SER101 3.8 10.5 1.0 OG A:SER101 3.8 25.8 1.0 HH21 A:ARG229 3.9 28.7 1.0 CG2 B:THR206 4.0 11.8 1.0 CB B:THR206 4.0 10.3 1.0 HG A:SER101 4.0 30.9 1.0 CZ A:ARG229 4.1 20.2 1.0 CB A:ASN100 4.1 13.9 1.0 CG A:ASN100 4.1 26.4 1.0 HB B:THR206 4.1 12.4 1.0 HG23 B:THR206 4.2 14.2 1.0 CA A:ASN100 4.2 7.7 1.0 HB B:VAL88 4.2 8.1 1.0 HD21 A:LEU226 4.3 20.8 1.0 CB B:SER101 4.4 13.3 0.6 HB3 A:SER101 4.5 17.6 1.0 C A:ASN100 4.5 9.7 1.0 HH11 A:ARG229 4.5 21.0 1.0 CG1 B:VAL88 4.5 7.0 1.0 CB A:SER101 4.6 14.7 1.0 CG2 B:VAL88 4.6 9.1 1.0 CB B:SER101 4.6 15.0 0.4 H B:SER101 4.6 15.3 0.4 H B:SER101 4.6 15.9 0.6 HG B:SER101 4.6 20.3 0.6 CB B:VAL88 4.7 6.8 1.0 CA A:SER101 4.8 11.0 1.0 OG B:SER101 4.8 16.9 0.6 HG22 B:THR206 4.8 14.2 1.0 HB3 B:SER101 4.9 18.0 0.4 HG12 B:VAL88 4.9 8.4 1.0 HB2 B:SER101 5.0 16.0 0.6 CL B:CL303 5.0 19.6 0.9 HG23 B:VAL88 5.0 11.0 1.0 HB2 A:ASN100 5.0 16.7 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of the AVGLUR1 Ligand Binding Domain Complex with Aspartate at 1.66 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the AVGLUR1 Ligand Binding Domain Complex with Aspartate at 1.66 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl302 b:23.2 occ:0.89 HH12 B:ARG93 2.5 13.8 1.0 HH22 B:ARG93 2.5 15.1 1.0 O B:HOH502 2.7 35.0 1.0 HB3 B:LYS213 2.8 19.7 1.0 H B:GLU214 2.9 20.3 1.0 HB2 A:LYS219 3.1 16.3 1.0 O B:HOH435 3.1 19.7 1.0 HD2 B:LYS213 3.2 23.4 1.0 NH1 B:ARG93 3.2 11.5 1.0 NH2 B:ARG93 3.2 12.6 1.0 HG2 B:LYS213 3.3 21.4 1.0 HA B:LYS213 3.3 15.9 1.0 HG3 B:GLU214 3.3 31.0 1.0 CB B:LYS213 3.5 16.4 1.0 HB2 B:ALA97 3.5 12.8 1.0 N B:GLU214 3.6 16.9 1.0 CG B:LYS213 3.7 17.9 1.0 CZ B:ARG93 3.7 12.1 1.0 CA B:LYS213 3.8 13.2 1.0 CD B:LYS213 3.9 19.5 1.0 HH11 B:ARG93 3.9 13.8 1.0 HH21 B:ARG93 3.9 15.1 1.0 CB A:LYS219 4.0 13.6 1.0 O A:HOH427 4.1 20.4 1.0 H A:LYS219 4.2 12.8 1.0 HB3 A:ALA218 4.2 17.0 1.0 C B:LYS213 4.2 15.4 1.0 CG B:GLU214 4.3 25.9 1.0 HB2 B:LYS213 4.3 19.7 1.0 HA A:LYS219 4.3 16.1 1.0 HD3 B:LYS213 4.4 23.4 1.0 HG3 A:LYS219 4.4 19.9 1.0 N A:LYS219 4.5 10.7 1.0 CB B:ALA97 4.5 10.7 1.0 HG2 B:GLU214 4.5 31.0 1.0 CA A:LYS219 4.5 13.4 1.0 HB3 A:LYS219 4.5 16.3 1.0 HA B:GLU214 4.6 21.1 1.0 HG3 B:LYS213 4.6 21.4 1.0 CA B:GLU214 4.6 17.6 1.0 O A:HOH466 4.7 32.4 1.0 HD3 A:LYS219 4.7 38.6 1.0 HB1 B:ALA97 4.7 12.8 1.0 CG A:LYS219 4.8 16.5 1.0 OE2 B:GLU214 4.8 38.3 1.0 O B:HOH449 4.9 26.1 1.0 HA B:ALA97 4.9 10.3 1.0 HB1 A:ALA218 5.0 17.0 1.0 HE3 B:LYS213 5.0 27.0 1.0 CB A:ALA218 5.0 14.2 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of the AVGLUR1 Ligand Binding Domain Complex with Aspartate at 1.66 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of the AVGLUR1 Ligand Binding Domain Complex with Aspartate at 1.66 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl303 b:19.6 occ:0.92 HG1 A:THR206 2.4 15.2 1.0 HD21 B:ASN100 2.4 22.6 1.0 HH22 B:ARG229 2.5 21.2 1.0 H B:SER101 2.7 15.3 0.4 H B:SER101 2.8 15.9 0.6 OG1 A:THR206 3.2 12.6 1.0 HH12 B:ARG229 3.2 19.6 1.0 ND2 B:ASN100 3.2 18.9 1.0 HB3 B:ASN100 3.3 15.9 1.0 O B:HOH578 3.3 36.9 1.0 HG21 A:THR206 3.3 14.7 1.0 NH2 B:ARG229 3.3 17.7 1.0 HA B:ASN100 3.4 11.4 1.0 HB3 B:SER101 3.5 18.0 0.4 HB3 A:SER101 3.5 17.6 1.0 OG B:SER101 3.6 16.9 0.6 N B:SER101 3.6 12.7 0.4 N B:SER101 3.6 13.3 0.6 HG11 A:VAL88 3.7 14.3 1.0 HD22 B:ASN100 3.8 22.6 1.0 HG B:SER101 3.8 20.3 0.6 HH21 B:ARG229 3.9 21.2 1.0 NH1 B:ARG229 3.9 16.3 1.0 CB B:ASN100 3.9 13.2 1.0 HG21 A:VAL88 4.0 10.9 1.0 CA B:ASN100 4.0 9.5 1.0 CG2 A:THR206 4.0 12.3 1.0 CB A:THR206 4.0 11.9 1.0 CG B:ASN100 4.1 18.1 1.0 CZ B:ARG229 4.1 16.8 1.0 HB2 B:SER101 4.1 18.0 0.4 HB A:THR206 4.1 14.3 1.0 CB B:SER101 4.2 15.0 0.4 HG23 A:THR206 4.2 14.7 1.0 HD21 B:LEU226 4.3 16.8 1.0 C B:ASN100 4.3 8.9 1.0 HB3 B:SER101 4.4 16.0 0.6 CB B:SER101 4.4 13.3 0.6 HB A:VAL88 4.4 9.9 1.0 H A:SER101 4.5 12.6 1.0 CB A:SER101 4.5 14.7 1.0 CA B:SER101 4.5 10.9 0.4 CA B:SER101 4.6 10.3 0.6 CG1 A:VAL88 4.6 11.9 1.0 HH11 B:ARG229 4.6 19.6 1.0 HG A:SER101 4.7 30.9 1.0 HB2 B:ASN100 4.8 15.9 1.0 CG2 A:VAL88 4.8 9.1 1.0 OG A:SER101 4.8 25.8 1.0 HG22 A:THR206 4.8 14.7 1.0 CB A:VAL88 4.9 8.3 1.0 CL A:CL303 5.0 22.6 0.8 HG12 A:VAL88 5.0 14.3 1.0 N A:SER101 5.0 10.5 1.0

S.Lomash, S.Chittori, P.Brown, M.L.Mayer. Anions Mediate Ligand Binding in Adineta Vaga Glutamate Receptor Ion Channels. Structure V. 21 414 2013.
ISSN: ISSN 0969-2126
PubMed: 23434404
DOI: 10.1016/J.STR.2013.01.006