Chlorine in PDB 6e7w: Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-115

The structure of Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-115, PDB code: 6e7w 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 / 2.67
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	268.131, 59.590, 145.495, 90.00, 116.62, 90.00
R / Rfree (%)	19 / 23.2

The structure of Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-115 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 93-115 (pdb code 6e7w). 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 93-115, PDB code: 6e7w:
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 93-115


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 93-115 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl509 b:67.6 occ:1.00 N A:CYS329 3.3 32.6 1.0 CE B:LYS79 3.5 39.9 1.0 CD B:LYS79 3.6 38.4 1.0 O A:CYS79 3.8 26.5 1.0 N A:VAL330 3.9 33.1 1.0 CG2 A:VAL330 4.0 31.6 1.0 CA A:GLY328 4.0 31.8 1.0 C A:CYS79 4.1 28.5 1.0 CB A:CYS329 4.1 34.0 1.0 C A:GLY328 4.2 33.9 1.0 CA A:CYS329 4.2 31.9 1.0 CB A:CYS79 4.4 32.3 1.0 CA A:GLU80 4.4 33.5 1.0 N A:GLU80 4.5 31.2 1.0 C A:CYS329 4.6 33.6 1.0 CG B:LYS79 4.7 35.1 1.0 CB A:VAL330 4.7 31.8 1.0 CA A:CYS79 4.8 28.9 1.0 CB A:SER84 4.8 33.7 1.0 NZ B:LYS79 4.9 41.5 1.0 CA A:VAL330 4.9 33.5 1.0 CG A:GLU80 5.0 45.6 1.0 CB B:LYS79 5.0 32.5 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 93-115


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 93-115 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl510 b:54.5 occ:1.00 O A:ASN396 2.6 35.9 1.0 O A:ARG398 2.6 49.0 1.0 O A:VAL385 2.8 32.4 1.0 OD1 A:ASN396 3.2 31.6 1.0 C A:ARG398 3.6 44.1 1.0 C A:ASN396 3.7 38.5 1.0 OE1 A:GLN395 3.7 35.9 1.0 C A:VAL385 3.8 34.6 1.0 N A:ASN396 3.8 37.0 1.0 CB A:VAL385 3.8 34.0 1.0 CA A:VAL385 4.0 33.9 1.0 CB A:GLN395 4.1 37.9 1.0 N A:ARG398 4.3 47.5 1.0 CA A:ASN396 4.3 37.3 1.0 CG1 A:ILE400 4.3 38.9 1.0 CG A:ASN396 4.3 32.3 1.0 C A:GLN395 4.4 38.6 1.0 N A:ILE400 4.4 44.5 1.0 CA A:GLN395 4.4 36.9 1.0 CA A:LYS399 4.4 46.7 1.0 N A:LYS399 4.5 44.7 1.0 CA A:ARG398 4.5 46.7 1.0 CD A:GLN395 4.6 36.7 1.0 N A:ASP397 4.6 42.2 1.0 CG1 A:VAL385 4.6 34.0 1.0 C A:LYS399 4.7 45.8 1.0 CG A:GLN395 4.7 36.6 1.0 C A:ASP397 4.7 46.8 1.0 CD1 A:ILE400 4.8 40.0 1.0 CG2 A:VAL385 4.9 32.2 1.0 CB A:ASN396 4.9 34.8 1.0 N A:GLY386 5.0 39.6 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 93-115


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 93-115 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl503 b:54.2 occ:1.00 CL1 B:HXM503 0.0 54.2 1.0 C03 B:HXM503 1.8 44.7 1.0 C02 B:HXM503 2.7 42.0 1.0 C04 B:HXM503 2.8 43.1 1.0 CL2 B:HXM503 3.1 49.8 1.0 CG B:PRO78 3.3 22.6 1.0 CB B:PRO78 3.7 22.8 1.0 CB A:PHE113 3.7 23.1 1.0 CD2 A:PHE113 3.8 24.6 1.0 CG1 B:ILE111 3.9 26.4 1.0 CA A:THR110 3.9 24.0 1.0 O A:TYR109 3.9 34.8 1.0 CG A:PHE113 4.0 24.9 1.0 C01 B:HXM503 4.0 40.8 1.0 C05 B:HXM503 4.0 49.5 1.0 C A:TYR109 4.2 24.3 1.0 CD1 B:ILE111 4.3 26.7 1.0 N A:THR110 4.3 23.6 1.0 OG1 A:THR110 4.5 29.9 1.0 C06 B:HXM503 4.5 51.1 1.0 CD B:PRO78 4.6 24.3 1.0 CE2 A:PHE113 4.6 25.2 1.0 CB A:THR110 4.7 26.3 1.0 O A:THR110 4.8 23.5 1.0 CA B:PRO78 4.8 24.4 1.0 C A:THR110 4.8 22.9 1.0 CB A:TYR109 4.8 20.8 1.0 CG2 A:THR110 4.9 27.5 1.0 CA A:PHE113 4.9 23.2 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 93-115


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 93-115 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl503 b:49.8 occ:1.00 CL2 B:HXM503 0.0 49.8 1.0 C02 B:HXM503 1.8 42.0 1.0 C03 B:HXM503 2.7 44.7 1.0 C01 B:HXM503 2.8 40.8 1.0 CL1 B:HXM503 3.1 54.2 1.0 CD2 B:PHE114 4.0 21.3 1.0 CG1 B:ILE111 4.0 26.4 1.0 C04 B:HXM503 4.0 43.1 1.0 C06 B:HXM503 4.0 51.1 1.0 CE2 B:PHE114 4.3 21.8 1.0 CG2 B:ILE111 4.3 25.8 1.0 CD1 B:ILE82 4.3 33.1 1.0 CA B:ILE111 4.3 23.7 1.0 OG1 A:THR110 4.4 29.9 1.0 CB B:PRO78 4.4 22.8 1.0 CB B:ILE111 4.5 24.6 1.0 CG B:PHE114 4.5 21.3 1.0 C05 B:HXM503 4.6 49.5 1.0 CB B:PHE114 4.7 22.3 1.0 CB A:TYR109 4.7 20.8 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 93-115


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 93-115 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl504 b:79.5 occ:1.00 N B:ILE133 3.3 30.0 1.0 CG2 B:ILE133 3.4 39.9 1.0 CB B:ILE133 3.5 42.1 1.0 NE2 B:GLN153 3.5 34.7 1.0 CB B:LEU261 3.8 35.3 1.0 CB B:SER260 3.9 38.8 1.0 N B:LEU261 3.9 34.7 1.0 CA B:ILE133 3.9 38.6 1.0 C B:MET132 4.2 28.2 1.0 CA B:MET132 4.3 27.0 1.0 CA B:LEU261 4.3 34.5 1.0 CD2 B:LEU261 4.4 37.8 1.0 CD B:GLN153 4.5 35.4 1.0 CG B:LEU261 4.6 34.0 1.0 CA B:SER260 4.6 34.7 1.0 N B:SER260 4.6 33.2 1.0 O B:PRO148 4.6 39.2 1.0 OG B:SER260 4.7 50.4 1.0 C B:SER260 4.7 34.4 1.0 OE1 B:GLN153 4.7 33.2 1.0 CG1 B:ILE133 4.8 57.4 1.0 O B:SER131 4.9 24.2 1.0 CB B:MET132 4.9 26.8 1.0 CD1 B:LEU261 5.0 31.2 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 93-115


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 93-115 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl505 b:67.3 occ:1.00 N B:ASN74 3.0 50.3 1.0 C8 B:NAG501 3.2 94.3 1.0 CG B:MET73 3.6 43.9 1.0 N B:GLU75 3.6 39.5 1.0 CB B:ASN74 3.8 63.7 1.0 CA B:ASN74 3.8 52.9 1.0 CA B:MET73 3.9 46.0 1.0 C B:MET73 3.9 48.1 1.0 C7 B:NAG501 3.9 0.1 1.0 CG B:GLU75 4.1 39.7 1.0 C B:ASN74 4.2 46.4 1.0 O7 B:NAG501 4.2 93.0 1.0 CB B:MET73 4.3 43.1 1.0 CB B:GLU75 4.4 39.1 1.0 CG B:ASN74 4.6 75.0 1.0 CA B:GLU75 4.6 35.5 1.0 N2 B:NAG501 4.8 0.6 1.0 SD B:MET73 4.8 38.8 1.0 O B:GLU75 4.9 31.1 1.0 ND2 B:ASN74 5.0 87.8 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 93-115


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 93-115 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl506 b:53.5 occ:1.00 O A:HOH656 3.1 38.4 1.0 O B:HOH648 3.4 40.9 1.0 O B:HOH608 3.5 24.5 1.0 OD2 B:ASP138 3.5 38.4 1.0 NE2 B:GLN118 3.5 29.9 1.0 CG B:ASP138 3.7 33.7 1.0 CD1 B:PHE114 3.8 21.5 1.0 CB B:ASP138 4.0 36.0 1.0 CB B:ALA117 4.0 30.2 1.0 CA B:PHE114 4.1 23.9 1.0 OD1 B:ASP138 4.4 41.0 1.0 O B:PHE114 4.5 27.9 1.0 CE1 B:PHE114 4.5 22.4 1.0 CG B:PHE114 4.6 21.3 1.0 CB B:PHE114 4.6 22.3 1.0 CD B:GLN118 4.7 28.1 1.0 C B:PHE114 4.8 26.1 1.0 O B:HOH645 5.0 37.5 1.0 N B:PHE114 5.0 24.1 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 93-115


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 93-115 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl507 b:77.2 occ:1.00 OE2 B:GLU235 2.9 34.1 1.0 OE1 B:GLU106 3.2 31.8 1.0 O B:ASP104 3.2 25.7 1.0 N B:GLU235 3.3 27.9 1.0 CB B:GLU235 3.5 29.3 1.0 O B:HOH621 3.6 31.7 1.0 CG B:GLU235 3.7 32.2 1.0 O B:HOH624 3.8 27.6 1.0 CB B:LYS234 3.8 24.9 1.0 N B:LYS234 4.0 24.2 1.0 CA B:GLU235 4.0 29.1 1.0 CD B:GLU106 4.1 29.1 1.0 OE2 B:GLU106 4.1 33.4 1.0 C B:LYS234 4.2 27.0 1.0 CA B:LYS234 4.2 24.4 1.0 CB B:THR233 4.3 23.8 1.0 C B:ASP104 4.4 26.5 1.0 OG1 B:THR233 4.5 23.7 1.0 CB B:ASP104 4.8 29.0 1.0 O B:HOH639 4.8 31.0 1.0 C B:THR233 4.8 25.4 1.0 CG B:LYS234 4.9 26.2 1.0 OE1 B:GLU235 5.0 46.2 1.0 CA B:GLN105 5.0 25.6 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 93-115


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 93-115 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl505 b:73.0 occ:1.00 N C:CYS329 3.5 46.6 1.0 NZ D:LYS79 3.6 57.9 1.0 O C:CYS79 3.7 48.6 1.0 CD D:LYS79 3.9 53.6 1.0 C C:CYS79 4.0 48.5 1.0 CA C:GLY328 4.1 47.4 1.0 CG2 C:VAL330 4.1 54.0 1.0 N C:VAL330 4.1 49.6 1.0 CE D:LYS79 4.1 54.9 1.0 C C:GLY328 4.3 46.0 1.0 CA C:GLU80 4.3 52.2 1.0 CB C:CYS329 4.3 48.4 1.0 CB C:CYS79 4.4 47.5 1.0 CA C:CYS329 4.4 45.9 1.0 N C:GLU80 4.4 50.3 1.0 CB C:SER84 4.7 51.6 1.0 CB C:VAL330 4.7 54.5 1.0 CA C:CYS79 4.7 45.1 1.0 C C:CYS329 4.8 47.4 1.0 CG D:LYS79 4.8 49.5 1.0 CG C:GLU80 4.9 61.3 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 93-115


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 93-115 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl506 b:63.5 occ:1.00 N C:ARG124 3.4 34.6 1.0 CE1 C:HIS94 3.8 44.0 1.0 CG C:MET125 4.1 37.4 1.0 NE2 C:HIS94 4.1 44.0 1.0 N C:MET125 4.1 35.3 1.0 CA C:THR123 4.1 37.5 1.0 ND1 C:HIS94 4.2 41.9 1.0 CB C:ARG124 4.2 33.4 1.0 CA C:ARG124 4.2 36.4 1.0 CG2 C:THR123 4.3 34.5 1.0 C C:THR123 4.3 38.6 1.0 OH C:TYR144 4.3 36.0 1.0 CD2 C:HIS94 4.5 44.5 1.0 CG C:HIS94 4.5 44.7 1.0 O C:THR122 4.5 36.1 1.0 C C:ARG124 4.5 36.8 1.0 SD C:MET125 4.6 40.7 1.0 CE2 C:TYR144 4.6 31.3 1.0 CB C:THR123 4.8 36.2 1.0 CZ C:TYR144 4.9 29.7 1.0 CB C:MET125 4.9 33.9 1.0 CA C:MET125 5.0 33.5 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