Chlorine in PDB 3g3k: Crystal Structure of the GLUR6 Ligand Binding Domain Dimer I442H K494E K665R I749L Q753K E757Q Mutant with Glutamate and Nacl at 1.24 Angstrom Resolution

The structure of Crystal Structure of the GLUR6 Ligand Binding Domain Dimer I442H K494E K665R I749L Q753K E757Q Mutant with Glutamate and Nacl at 1.24 Angstrom Resolution, PDB code: 3g3k was solved by C.Chaudhry, M.L.Mayer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.90 / 1.24
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	51.133, 113.844, 52.098, 90.00, 115.22, 90.00
R / Rfree (%)	14.6 / 16.5

The structure of Crystal Structure of the GLUR6 Ligand Binding Domain Dimer I442H K494E K665R I749L Q753K E757Q Mutant with Glutamate and Nacl at 1.24 Angstrom Resolution also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of the GLUR6 Ligand Binding Domain Dimer I442H K494E K665R I749L Q753K E757Q Mutant with Glutamate and Nacl at 1.24 Angstrom Resolution (pdb code 3g3k). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of the GLUR6 Ligand Binding Domain Dimer I442H K494E K665R I749L Q753K E757Q Mutant with Glutamate and Nacl at 1.24 Angstrom Resolution, PDB code: 3g3k:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in the Crystal Structure of the GLUR6 Ligand Binding Domain Dimer I442H K494E K665R I749L Q753K E757Q Mutant with Glutamate and Nacl at 1.24 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 GLUR6 Ligand Binding Domain Dimer I442H K494E K665R I749L Q753K E757Q Mutant with Glutamate and Nacl at 1.24 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl261 b:9.7 occ:0.88 HZ2 B:LYS104 2.4 11.4 1.0 HZ2 A:LYS104 2.4 11.7 1.0 HH11 A:ARG228 2.8 25.1 0.6 HH11 B:ARG228 2.9 20.4 0.6 O A:HOH380 3.1 18.7 1.0 O B:HOH360 3.1 17.5 1.0 NZ B:LYS104 3.3 9.5 1.0 NZ A:LYS104 3.3 9.8 1.0 HG3 A:LYS104 3.3 10.1 1.0 HG3 B:LYS104 3.4 10.7 1.0 HZ1 A:LYS104 3.4 11.7 1.0 HZ1 B:LYS104 3.4 11.4 1.0 NH1 A:ARG228 3.5 20.9 0.6 HH12 A:ARG228 3.6 25.1 0.6 NH1 B:ARG228 3.6 17.0 0.6 HD3 A:ARG228 3.6 16.3 0.6 HG2 B:LYS104 3.6 10.7 1.0 HD3 B:ARG228 3.7 18.6 0.6 HG2 A:LYS104 3.7 10.1 1.0 HH12 B:ARG228 3.8 20.4 0.6 HD3 B:ARG228 3.8 19.1 0.4 HZ3 B:LYS104 3.8 11.4 1.0 O A:HOH724 3.8 15.4 0.4 O B:HOH722 3.8 14.2 0.4 HZ3 A:LYS104 3.8 11.7 1.0 CZ A:ARG228 3.9 14.8 0.4 NH2 A:ARG228 3.9 12.9 0.4 CG A:LYS104 3.9 8.4 1.0 CG B:LYS104 3.9 8.9 1.0 HE3 A:LYS104 4.0 13.1 1.0 HE3 B:LYS104 4.0 12.9 1.0 HH21 A:ARG228 4.0 15.5 0.4 HG1 B:THR232 4.1 9.2 1.0 HE A:ARG228 4.1 16.9 0.4 HG1 A:THR232 4.1 10.2 1.0 HH22 A:ARG228 4.1 15.5 0.4 NE A:ARG228 4.2 14.0 0.4 CE A:LYS104 4.2 10.9 1.0 HH11 B:ARG228 4.2 22.2 0.4 CE B:LYS104 4.2 10.8 1.0 NH1 B:ARG228 4.2 18.5 0.4 NH1 A:ARG228 4.3 14.7 0.4 O A:PHE102 4.3 7.7 1.0 O B:PHE102 4.3 6.8 1.0 CZ B:ARG228 4.3 16.2 0.4 HD3 A:ARG228 4.4 15.2 0.4 HD2 A:ARG228 4.4 16.3 0.6 CD A:ARG228 4.4 13.6 0.6 NE B:ARG228 4.4 16.7 0.4 HH12 A:ARG228 4.5 17.7 0.4 HD2 B:ARG228 4.5 18.6 0.6 CD B:ARG228 4.5 15.5 0.6 HH12 B:ARG228 4.5 22.2 0.4 CD B:ARG228 4.5 15.9 0.4 HH11 A:ARG228 4.6 17.7 0.4 CZ A:ARG228 4.6 18.9 0.6 H A:LYS104 4.6 8.6 1.0 CD B:LYS104 4.6 9.8 1.0 CD A:LYS104 4.6 10.2 1.0 H B:LYS104 4.7 7.4 1.0 HD2 B:ARG228 4.7 19.1 0.4 CZ B:ARG228 4.8 16.1 0.6 N A:LYS104 4.8 7.1 1.0 HG21 A:THR232 4.8 11.6 1.0 NH2 B:ARG228 4.8 17.5 0.4 CD A:ARG228 4.8 12.6 0.4 N B:LYS104 4.8 6.1 1.0 OG1 B:THR232 4.8 7.6 1.0 OG1 A:THR232 4.8 8.5 1.0 HG21 B:THR232 4.9 10.4 1.0 HA A:LYS104 4.9 8.7 1.0 OD1 B:ASP229 4.9 13.7 1.0 HA B:LYS104 4.9 8.4 1.0 OD1 A:ASP229 4.9 15.1 1.0 HE B:ARG228 4.9 20.0 0.4 NE A:ARG228 4.9 15.1 0.6 O B:HOH286 5.0 10.8 0.5 HD2 A:LYS104 5.0 12.3 1.0 HA A:SER103 5.0 8.9 1.0 HA B:SER103 5.0 7.8 1.0 HD2 B:LYS104 5.0 11.8 1.0

Chlorine binding site 2 out of 6 in the Crystal Structure of the GLUR6 Ligand Binding Domain Dimer I442H K494E K665R I749L Q753K E757Q Mutant with Glutamate and Nacl at 1.24 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 GLUR6 Ligand Binding Domain Dimer I442H K494E K665R I749L Q753K E757Q Mutant with Glutamate and Nacl at 1.24 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl262 b:10.0 occ:0.67 H A:HIS245 2.5 16.5 0.5 H A:HIS245 2.5 16.5 0.6 HA2 A:GLY242 2.6 15.3 0.6 HB2 A:LEU244 2.7 13.1 1.0 HA A:GLN239 2.8 17.7 1.0 H A:LEU244 2.9 12.5 1.0 O B:HOH549 3.1 18.3 1.0 O A:HOH272 3.1 13.2 1.0 HG2 A:GLN239 3.3 17.6 1.0 N A:HIS245 3.3 13.8 1.0 HD2 A:HIS245 3.3 32.9 0.6 CA A:GLY242 3.4 12.7 0.6 N A:LEU244 3.5 10.4 1.0 HB3 A:HIS245 3.5 17.5 0.6 HB2 A:HIS245 3.5 22.5 0.5 HA2 A:GLY242 3.5 19.1 0.4 C A:GLY242 3.5 15.1 0.6 CB A:LEU244 3.6 10.9 1.0 C A:GLY242 3.6 15.9 0.4 CA A:GLN239 3.7 14.7 1.0 O A:GLY242 3.7 15.6 0.4 CA A:LEU244 3.8 9.6 1.0 H A:GLY242 3.8 11.9 0.6 HB3 A:HIS245 3.9 22.5 0.5 N A:LYS243 3.9 14.7 1.0 H A:LYS243 3.9 17.6 0.4 H A:LYS243 3.9 17.6 0.6 CD2 A:HIS245 4.0 27.4 0.6 C A:LEU244 4.0 11.3 1.0 H A:GLY242 4.0 17.1 0.4 CA A:GLY242 4.0 15.9 0.4 CB A:HIS245 4.0 18.7 0.5 CG A:GLN239 4.0 14.6 1.0 HA3 A:GLY242 4.1 15.3 0.6 N A:GLY242 4.1 9.9 0.6 O A:GLY242 4.1 15.9 0.6 HB3 A:GLN239 4.1 16.1 1.0 CB A:HIS245 4.1 14.6 0.6 O B:HOH318 4.2 34.2 1.0 CB A:GLN239 4.2 13.4 1.0 HB2 B:SER214 4.2 11.8 0.5 HG A:LEU244 4.2 16.9 1.0 HB3 A:LEU244 4.2 13.1 1.0 O A:GLN239 4.2 16.6 1.0 CA A:HIS245 4.2 15.6 0.5 HG3 A:GLN239 4.3 17.6 1.0 CA A:HIS245 4.3 13.2 0.6 O A:LEU238 4.3 16.1 1.0 CG A:HIS245 4.3 20.2 0.6 C A:GLN239 4.4 15.3 1.0 C A:LYS243 4.4 11.8 1.0 HD12 A:LEU244 4.5 16.8 1.0 N A:GLY242 4.5 14.2 0.4 HG B:SER214 4.5 13.1 0.5 CG A:LEU244 4.5 14.1 1.0 O A:HOH386 4.5 18.5 1.0 N A:GLN239 4.6 13.4 1.0 O B:HOH442 4.7 15.8 1.0 HA A:HIS245 4.7 18.7 0.5 HB3 B:SER214 4.7 12.4 0.5 CA A:LYS243 4.7 14.5 0.6 CA A:LYS243 4.7 14.9 0.4 HA A:HIS245 4.8 15.9 0.6 OG B:SER214 4.8 10.9 0.5 HA A:LEU244 4.8 11.5 1.0 C A:LEU238 4.8 14.7 1.0 HA3 A:GLY242 4.9 19.1 0.4 H B:SER214 4.9 10.8 0.5 H A:MET246 4.9 14.7 1.0 CB B:SER214 4.9 9.8 0.5 H B:SER214 5.0 10.8 0.5

Chlorine binding site 3 out of 6 in the Crystal Structure of the GLUR6 Ligand Binding Domain Dimer I442H K494E K665R I749L Q753K E757Q Mutant with Glutamate and Nacl at 1.24 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 GLUR6 Ligand Binding Domain Dimer I442H K494E K665R I749L Q753K E757Q Mutant with Glutamate and Nacl at 1.24 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl263 b:38.5 occ:0.56 CL A:CL263 0.0 38.5 0.6 CL A:CL263 1.9 30.8 0.4 HH22 A:ARG149 2.5 21.2 1.0 H13 A:IPA266 2.6 38.8 1.0 H11 A:IPA266 2.7 38.8 1.0 HH12 A:ARG149 2.7 20.0 1.0 H2 A:IPA266 2.9 35.1 1.0 C1 A:IPA266 2.9 32.3 1.0 O2 A:IPA266 3.1 28.8 1.0 C2 A:IPA266 3.1 29.3 1.0 NH2 A:ARG149 3.3 17.6 1.0 HE2 A:TYR94 3.4 13.7 1.0 NH1 A:ARG149 3.5 16.6 1.0 O A:HOH290 3.7 21.7 1.0 HZ1 B:LYS237 3.8 39.0 1.0 CZ A:ARG149 3.9 12.8 1.0 HH21 A:ARG149 3.9 21.2 1.0 H12 A:IPA266 4.0 38.8 1.0 HO2 A:IPA266 4.0 34.5 1.0 HE3 B:LYS237 4.1 29.5 1.0 HH11 A:ARG149 4.2 20.0 1.0 CE2 A:TYR94 4.3 11.4 1.0 HH A:TYR94 4.3 18.2 1.0 HZ2 B:LYS237 4.4 39.0 1.0 NZ B:LYS237 4.4 32.5 1.0 C3 A:IPA266 4.6 21.9 1.0 OH A:TYR94 4.6 15.2 1.0 CE B:LYS237 4.7 24.6 1.0 HG12 A:VAL95 4.8 13.0 1.0

Chlorine binding site 4 out of 6 in the Crystal Structure of the GLUR6 Ligand Binding Domain Dimer I442H K494E K665R I749L Q753K E757Q Mutant with Glutamate and Nacl at 1.24 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 GLUR6 Ligand Binding Domain Dimer I442H K494E K665R I749L Q753K E757Q Mutant with Glutamate and Nacl at 1.24 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl263 b:30.8 occ:0.44 CL A:CL263 0.0 30.8 0.4 CL A:CL263 1.9 38.5 0.6 O A:HOH290 2.3 21.7 1.0 HZ1 B:LYS237 2.8 39.0 1.0 HH A:TYR94 2.8 18.2 1.0 HZ2 B:LYS237 2.9 39.0 1.0 O2 A:IPA266 3.0 28.8 1.0 HE2 A:TYR94 3.1 13.7 1.0 OH A:TYR94 3.1 15.2 1.0 H11 A:IPA266 3.2 38.8 1.0 NZ B:LYS237 3.3 32.5 1.0 HH22 A:ARG149 3.6 21.2 1.0 HE3 B:LYS237 3.6 29.5 1.0 HO2 A:IPA266 3.7 34.5 1.0 C2 A:IPA266 3.8 29.3 1.0 CE2 A:TYR94 3.8 11.4 1.0 C1 A:IPA266 3.8 32.3 1.0 H2 A:IPA266 3.9 35.1 1.0 CZ A:TYR94 4.0 10.8 1.0 H13 A:IPA266 4.0 38.8 1.0 CE B:LYS237 4.0 24.6 1.0 HZ3 B:LYS237 4.1 39.0 1.0 O B:HOH729 4.3 36.4 1.0 NH2 A:ARG149 4.4 17.6 1.0 OE2 A:GLU98 4.5 21.1 1.0 HH12 A:ARG149 4.5 20.0 1.0 HE2 B:LYS237 4.6 29.5 1.0 HH21 A:ARG149 4.8 21.2 1.0 H12 A:IPA266 4.9 38.8 1.0 OE1 A:GLU98 4.9 19.5 1.0 HD2 B:LYS237 4.9 19.4 1.0

Chlorine binding site 5 out of 6 in the Crystal Structure of the GLUR6 Ligand Binding Domain Dimer I442H K494E K665R I749L Q753K E757Q Mutant with Glutamate and Nacl at 1.24 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of the GLUR6 Ligand Binding Domain Dimer I442H K494E K665R I749L Q753K E757Q Mutant with Glutamate and Nacl at 1.24 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl261 b:12.1 occ:0.70 H B:GLY118 2.6 15.4 1.0 HG2 B:LYS117 2.9 19.1 1.0 HA B:LYS117 3.1 15.7 1.0 O B:HOH468 3.2 31.6 1.0 O B:HOH368 3.3 13.3 1.0 HG21 B:THR206 3.3 15.8 1.0 HB3 B:LYS117 3.3 15.2 1.0 N B:GLY118 3.4 12.8 1.0 CG B:LYS117 3.7 15.9 1.0 CB B:LYS117 3.7 12.6 1.0 CA B:LYS117 3.7 13.0 1.0 CG2 B:THR206 4.2 13.2 1.0 C B:LYS117 4.2 13.1 1.0 HB B:THR206 4.2 15.5 1.0 HA2 B:GLY118 4.2 18.1 1.0 HD3 B:LYS117 4.2 23.0 1.0 CA B:GLY118 4.4 15.0 1.0 HG22 B:THR206 4.4 15.8 1.0 HG3 B:LYS117 4.4 19.1 1.0 H B:THR119 4.5 13.9 1.0 HE2 B:LYS117 4.5 23.6 1.0 CD B:LYS117 4.5 19.2 1.0 CB B:THR206 4.6 12.9 1.0 HG22 B:THR119 4.6 17.1 1.0 OG1 B:THR206 4.6 16.0 1.0 HB2 B:LYS117 4.7 15.2 1.0 HG23 B:THR206 4.8 15.8 1.0

Chlorine binding site 6 out of 6 in the Crystal Structure of the GLUR6 Ligand Binding Domain Dimer I442H K494E K665R I749L Q753K E757Q Mutant with Glutamate and Nacl at 1.24 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of the GLUR6 Ligand Binding Domain Dimer I442H K494E K665R I749L Q753K E757Q Mutant with Glutamate and Nacl at 1.24 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl262 b:8.9 occ:0.69 H B:HIS245 2.5 14.1 0.5 H B:HIS245 2.5 14.1 0.5 HA2 B:GLY242 2.7 18.7 1.0 HB2 B:LEU244 2.7 11.6 1.0 HA B:GLN239 2.8 15.4 1.0 H B:LEU244 2.8 11.5 1.0 O A:HOH334 3.1 15.3 1.0 O B:HOH340 3.1 12.2 1.0 HG2 B:GLN239 3.2 16.8 1.0 N B:HIS245 3.3 11.7 1.0 N B:LEU244 3.4 9.6 1.0 C B:GLY242 3.4 12.9 1.0 HB2 B:HIS245 3.5 17.1 0.5 CA B:GLY242 3.5 15.6 1.0 CB B:LEU244 3.6 9.7 1.0 HB3 B:HIS245 3.6 12.8 0.5 ND1 B:HIS245 3.7 19.7 0.5 CA B:GLN239 3.8 12.9 1.0 CA B:LEU244 3.8 9.6 1.0 N B:LYS243 3.8 13.1 1.0 O B:GLY242 3.8 14.0 1.0 H B:GLY242 3.9 16.1 1.0 H B:LYS243 3.9 15.7 0.4 HB3 B:HIS245 3.9 17.1 0.5 H B:LYS243 3.9 15.7 0.6 C B:LEU244 4.0 9.9 1.0 CG B:GLN239 4.0 13.9 1.0 CB B:HIS245 4.0 14.3 0.5 N B:GLY242 4.2 13.4 1.0 O B:HOH574 4.2 27.8 1.0 HB3 B:GLN239 4.2 14.8 1.0 HG B:LEU244 4.2 14.0 1.0 HG3 B:GLN239 4.2 16.8 1.0 CB B:HIS245 4.2 10.7 0.5 HA3 B:GLY242 4.2 18.7 1.0 CB B:GLN239 4.2 12.3 1.0 HB3 B:LEU244 4.2 11.6 1.0 CA B:HIS245 4.2 11.6 0.5 HB2 A:SER214 4.3 14.4 0.5 O B:LEU238 4.3 12.4 1.0 CG B:HIS245 4.3 16.0 0.5 CA B:HIS245 4.3 11.4 0.5 O B:GLN239 4.3 14.1 1.0 C B:LYS243 4.4 10.3 1.0 HD12 B:LEU244 4.4 16.5 1.0 CG B:LEU244 4.5 11.6 1.0 O B:HOH510 4.5 16.3 1.0 C B:GLN239 4.5 12.5 1.0 HB3 A:SER214 4.6 15.8 0.5 N B:GLN239 4.6 11.0 1.0 CE1 B:HIS245 4.6 22.1 0.5 O B:HOH717 4.7 20.7 0.4 HA B:HIS245 4.7 13.9 0.5 O A:HOH349 4.7 15.9 1.0 CA B:LYS243 4.7 12.3 0.6 CA B:LYS243 4.7 12.9 0.4 OG A:SER214 4.7 11.3 0.5 HA B:LEU244 4.8 11.5 1.0 HA B:HIS245 4.8 13.7 0.5 C B:LEU238 4.8 13.2 1.0 HE1 B:HIS245 4.8 26.5 0.5 H A:SER214 4.8 11.2 0.5 H A:SER214 4.9 11.2 0.5 H B:MET246 4.9 12.8 0.5 H B:MET246 4.9 12.8 0.5 HE22 B:GLN239 5.0 18.2 1.0 CB A:SER214 5.0 12.0 0.5

C.Chaudhry, M.C.Weston, P.Schuck, C.Rosenmund, M.L.Mayer. Stability of Ligand-Binding Domain Dimer Assembly Controls Kainate Receptor Desensitization. Embo J. V. 28 1518 2009.
ISSN: ISSN 0261-4189
PubMed: 19339989
DOI: 10.1038/EMBOJ.2009.86