Chlorine in PDB 6e7t: Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-6

The structure of Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-6, PDB code: 6e7t was solved by M.C.Regan, H.Furukawa, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 2.31
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	268.594, 59.835, 146.015, 90.00, 116.86, 90.00
R / Rfree (%)	19.4 / 22.5

The structure of Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-6 also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 15;

Binding sites:

The binding sites of Chlorine atom in the Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-6 (pdb code 6e7t). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 15 binding sites of Chlorine where determined in the Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-6, PDB code: 6e7t:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 15 in the Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-6


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl508 b:55.0 occ:1.00 CD B:LYS79 3.3 35.5 1.0 N A:CYS329 3.3 28.8 1.0 CE B:LYS79 3.6 38.3 1.0 O A:CYS79 3.7 27.6 1.0 CA A:GLY328 3.8 29.4 1.0 CG2 A:VAL330 3.9 33.8 1.0 N A:VAL330 4.0 31.1 1.0 C A:GLY328 4.1 29.3 1.0 C A:CYS79 4.1 28.2 1.0 CA A:CYS329 4.2 28.7 1.0 CB A:CYS329 4.2 28.6 1.0 CB A:CYS79 4.3 29.3 1.0 CA A:GLU80 4.4 32.8 1.0 N A:GLU80 4.5 30.2 1.0 CB A:VAL330 4.6 33.3 1.0 C A:CYS329 4.6 31.2 1.0 CG B:LYS79 4.6 31.9 1.0 CA A:CYS79 4.7 27.3 1.0 CG A:GLU80 4.8 44.2 1.0 NZ B:LYS79 4.9 39.3 1.0 CA A:VAL330 4.9 32.4 1.0 CB A:SER84 4.9 29.2 1.0 CB B:LYS79 4.9 29.1 1.0 SG A:CYS329 4.9 30.1 1.0

Chlorine binding site 2 out of 15 in the Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-6


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl509 b:39.3 occ:1.00 O A:ASN396 2.6 32.8 1.0 O A:ARG398 2.6 32.5 1.0 O A:VAL385 2.6 28.5 1.0 OD1 A:ASN396 3.0 28.5 1.0 C A:ASN396 3.6 33.4 1.0 C A:VAL385 3.6 27.7 1.0 C A:ARG398 3.7 33.0 1.0 N A:ASN396 3.7 30.7 1.0 CB A:VAL385 3.8 27.1 1.0 OE1 A:GLN395 3.9 36.3 1.0 CA A:VAL385 3.9 27.1 1.0 CB A:GLN395 3.9 33.0 1.0 CG A:ASN396 4.1 28.8 1.0 N A:ARG398 4.1 34.8 1.0 C A:GLN395 4.2 32.0 1.0 CA A:ASN396 4.2 31.6 1.0 CA A:GLN395 4.2 31.6 1.0 CA A:ARG398 4.5 33.7 1.0 N A:ASP397 4.5 35.4 1.0 CG A:GLN395 4.5 32.6 1.0 N A:LYS399 4.6 34.2 1.0 CG1 A:VAL385 4.6 27.8 1.0 CD A:GLN395 4.6 34.1 1.0 N A:ILE400 4.7 33.9 1.0 CG1 A:ILE400 4.7 31.2 1.0 CA A:LYS399 4.7 34.8 1.0 C A:ASP397 4.7 37.6 1.0 CB A:ASN396 4.7 29.8 1.0 N A:GLY386 4.8 27.9 1.0 CG2 A:VAL385 4.9 26.0 1.0 C A:LYS399 4.9 33.8 1.0 CA A:ASP397 5.0 39.2 1.0 O A:GLN395 5.0 33.0 1.0

Chlorine binding site 3 out of 15 in the Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-6


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl510 b:53.4 occ:1.00 O A:HIS53 2.4 36.8 1.0 O A:ASN50 2.4 36.6 1.0 O A:HOH650 2.8 38.8 1.0 O A:LYS51 3.0 41.0 1.0 OG1 A:THR55 3.4 37.9 1.0 C A:LYS51 3.5 39.8 1.0 C A:ASN50 3.5 35.4 1.0 C A:HIS53 3.6 36.7 1.0 CA A:LYS51 3.8 39.6 1.0 CG2 A:THR55 3.9 34.3 1.0 N A:LYS51 4.1 37.1 1.0 N A:THR55 4.2 38.3 1.0 CB A:THR55 4.2 36.3 1.0 N A:HIS53 4.3 36.0 1.0 N A:ARG52 4.4 37.7 1.0 CA A:PHE54 4.5 38.1 1.0 N A:PHE54 4.5 37.1 1.0 CA A:HIS53 4.6 36.0 1.0 C A:PHE54 4.7 37.0 1.0 CA A:ASN50 4.8 32.9 1.0 C A:ARG52 4.8 37.6 1.0 CA A:THR55 4.8 37.9 1.0

Chlorine binding site 4 out of 15 in the Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-6


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-6 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl503 b:47.7 occ:1.00 O B:HOH662 3.2 42.9 1.0 O B:HOH652 3.3 38.1 1.0 N B:ILE133 3.3 26.4 1.0 NE2 B:GLN153 3.5 33.6 1.0 CG2 B:ILE133 3.6 35.2 1.0 CB B:LEU261 3.6 25.5 1.0 N B:LEU261 3.7 27.1 1.0 CB B:SER260 3.8 31.1 1.0 CB B:ILE133 3.9 36.0 1.0 CA B:MET132 4.1 23.4 1.0 CA B:LEU261 4.1 27.6 1.0 C B:MET132 4.2 24.0 1.0 CA B:ILE133 4.2 32.3 1.0 C B:SER260 4.4 28.0 1.0 CD2 B:LEU261 4.5 25.0 1.0 CA B:SER260 4.5 28.7 1.0 CG B:LEU261 4.5 24.0 1.0 N B:SER260 4.6 26.4 1.0 CD B:GLN153 4.6 32.7 1.0 O B:SER131 4.6 22.4 1.0 OG B:SER260 4.7 36.6 1.0 CB B:MET132 4.7 22.6 1.0 O B:HOH669 4.8 41.0 1.0 OE1 B:GLN153 4.9 36.0 1.0 CD1 B:LEU261 4.9 23.1 1.0 CG B:MET132 4.9 23.3 1.0 O B:PRO148 5.0 28.7 1.0

Chlorine binding site 5 out of 15 in the Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-6


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-6 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl504 b:71.8 occ:1.00 N B:ASN74 2.9 45.9 1.0 CG B:MET73 3.4 45.7 1.0 N B:GLU75 3.7 37.8 1.0 CB B:ASN74 3.7 65.1 1.0 CA B:ASN74 3.7 51.0 1.0 C B:MET73 3.9 43.1 1.0 CA B:MET73 3.9 43.0 1.0 C8 B:NAG501 4.1 0.1 1.0 ND2 B:ASN74 4.2 91.0 1.0 CB B:MET73 4.2 41.5 1.0 C B:ASN74 4.2 43.0 1.0 CG B:ASN74 4.3 79.0 1.0 CG B:GLU75 4.4 36.1 1.0 C7 B:NAG501 4.4 0.3 1.0 CB B:GLU75 4.6 33.6 1.0 N2 B:NAG501 4.7 0.9 1.0 CA B:GLU75 4.7 33.1 1.0 SD B:MET73 4.8 40.2 1.0 O B:GLU75 4.9 30.4 1.0 O7 B:NAG501 4.9 0.3 1.0

Chlorine binding site 6 out of 15 in the Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-6


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-6 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl505 b:59.3 occ:1.00 O A:HOH720 3.1 37.5 1.0 OD1 B:ASP138 3.5 33.2 1.0 O B:HOH674 3.5 32.1 1.0 O B:HOH615 3.6 23.6 1.0 NE2 B:GLN118 3.6 29.5 1.0 CD1 B:PHE114 3.7 20.5 1.0 CB B:ALA117 3.9 24.1 1.0 CG B:ASP138 3.9 28.3 1.0 CA B:PHE114 4.0 19.7 1.0 CB B:ASP138 4.0 26.8 1.0 O B:PHE114 4.2 21.6 1.0 CE1 B:PHE114 4.4 21.7 1.0 CG B:PHE114 4.5 20.1 1.0 CB B:PHE114 4.6 19.5 1.0 CD B:GLN118 4.6 28.6 1.0 OD2 B:ASP138 4.6 27.4 1.0 C B:PHE114 4.6 20.9 1.0 CG B:GLN118 4.7 26.6 1.0 O B:ASP113 4.8 21.1 1.0 N B:PHE114 4.9 19.2 1.0 CE2 A:TYR109 5.0 26.3 1.0

Chlorine binding site 7 out of 15 in the Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-6


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-6 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl506 b:48.8 occ:1.00 CL1 B:HYY506 0.0 48.8 1.0 C04 B:HYY506 1.8 25.8 1.0 C03 B:HYY506 2.8 22.2 1.0 C05 B:HYY506 2.8 27.6 1.0 CL2 B:HYY506 3.2 39.8 1.0 CG B:PRO78 3.4 22.9 1.0 CB A:PHE113 3.5 19.6 1.0 O A:TYR109 3.6 22.3 1.0 CD2 A:PHE113 3.7 21.2 1.0 CA A:THR110 3.7 25.1 1.0 CB B:PRO78 3.8 22.9 1.0 CG A:PHE113 3.9 20.3 1.0 C A:TYR109 4.0 23.6 1.0 C02 B:HYY506 4.1 25.0 1.0 C06 B:HYY506 4.1 24.3 1.0 CG1 B:ILE111 4.1 20.9 1.0 N A:THR110 4.1 24.0 1.0 OG1 A:THR110 4.4 32.1 1.0 O A:THR110 4.5 24.8 1.0 CD1 B:ILE111 4.5 21.3 1.0 CB A:THR110 4.6 28.1 1.0 C A:THR110 4.6 23.2 1.0 C01 B:HYY506 4.6 27.4 1.0 CE2 A:PHE113 4.6 22.3 1.0 CD B:PRO78 4.7 23.0 1.0 CA A:PHE113 4.8 19.4 1.0 CG2 A:THR110 4.8 31.4 1.0 CB A:TYR109 4.9 23.0 1.0 CA B:PRO78 4.9 22.9 1.0 CD1 A:PHE113 4.9 20.4 1.0

Chlorine binding site 8 out of 15 in the Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-6


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-6 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl506 b:39.8 occ:1.00 CL2 B:HYY506 0.0 39.8 1.0 C03 B:HYY506 1.8 22.2 1.0 C04 B:HYY506 2.8 25.8 1.0 C02 B:HYY506 2.8 25.0 1.0 CL1 B:HYY506 3.2 48.8 1.0 CD2 B:PHE114 4.0 20.7 1.0 CG1 B:ILE111 4.1 20.9 1.0 C05 B:HYY506 4.1 27.6 1.0 C01 B:HYY506 4.1 27.4 1.0 CG2 B:ILE111 4.2 22.5 1.0 CD1 B:ILE82 4.2 23.1 1.0 OG1 A:THR110 4.3 32.1 1.0 CB B:PRO78 4.3 22.9 1.0 CE2 B:PHE114 4.4 21.8 1.0 CA B:ILE111 4.5 20.0 1.0 CB B:ILE111 4.5 20.9 1.0 CG B:PHE114 4.5 20.1 1.0 C06 B:HYY506 4.6 24.3 1.0 CB B:PHE114 4.8 19.5 1.0 CB A:TYR109 4.8 23.0 1.0 CG B:PRO78 4.9 22.9 1.0 CB A:ALA75 4.9 22.8 1.0

Chlorine binding site 9 out of 15 in the Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-6


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-6 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl504 b:52.5 occ:1.00 N C:ARG124 3.7 29.2 1.0 CE1 C:HIS94 4.0 43.5 1.0 CG C:MET125 4.0 31.5 1.0 OH C:TYR144 4.0 29.3 1.0 NE2 C:HIS94 4.1 47.0 1.0 CB C:ARG124 4.3 29.4 1.0 N C:MET125 4.3 28.3 1.0 ND1 C:HIS94 4.4 46.0 1.0 CA C:ARG124 4.4 29.1 1.0 CA C:THR123 4.4 32.5 1.0 CE2 C:TYR144 4.5 25.7 1.0 SD C:MET125 4.5 31.4 1.0 CD2 C:HIS94 4.5 45.8 1.0 CG2 C:THR123 4.5 35.4 1.0 C C:THR123 4.6 30.9 1.0 CG C:ARG124 4.6 30.8 1.0 CZ C:TYR144 4.6 27.0 1.0 CG C:HIS94 4.7 46.1 1.0 O C:THR122 4.7 33.3 1.0 C C:ARG124 4.8 28.6 1.0

Chlorine binding site 10 out of 15 in the Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-6


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-6 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl503 b:75.1 occ:1.00 CD D:LYS79 3.4 51.1 1.0 O C:CYS79 3.6 47.3 1.0 N C:CYS329 3.6 45.9 1.0 CE D:LYS79 3.7 52.7 1.0 CA C:GLY328 4.0 45.2 1.0 C C:CYS79 4.1 44.5 1.0 CG2 C:VAL330 4.1 49.8 1.0 CA C:GLU80 4.3 48.7 1.0 N C:VAL330 4.3 45.7 1.0 C C:GLY328 4.3 44.4 1.0 N C:GLU80 4.4 45.5 1.0 CB C:CYS79 4.5 45.5 1.0 CA C:CYS329 4.6 45.8 1.0 CB C:CYS329 4.6 46.4 1.0 CG C:GLU80 4.7 57.9 1.0 CB C:SER84 4.7 51.2 1.0 NZ D:LYS79 4.8 53.0 1.0 CB C:VAL330 4.8 49.6 1.0 CA C:CYS79 4.8 42.7 1.0 CG D:LYS79 4.9 46.0 1.0

M.C.Regan, H.Furukawa. Structural Elements of A pH-Sensitive Inhibitor Binding Site in Nmda Receptors Nat Commun V. 10 321 2019.
ISSN: ESSN 2041-1723