Chlorine in PDB 6e7v: Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-88

The structure of Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-88, PDB code: 6e7v 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 / 2.60
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	268.131, 59.612, 145.526, 90.00, 116.86, 90.00
R / Rfree (%)	19.1 / 23.3

The structure of Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-88 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 93-88 (pdb code 6e7v). 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 93-88, PDB code: 6e7v:
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 93-88


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 93-88 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl509 b:71.2 occ:1.00 N A:CYS329 3.2 35.0 1.0 CD B:LYS79 3.5 42.3 1.0 N A:VAL330 3.7 37.2 1.0 CG2 A:VAL330 3.8 39.4 1.0 NZ B:LYS79 3.8 51.6 1.0 O A:CYS79 3.8 37.6 1.0 CA A:GLY328 3.9 37.9 1.0 C A:GLY328 4.1 37.0 1.0 CB A:CYS329 4.1 34.7 1.0 CA A:CYS329 4.1 34.6 1.0 C A:CYS79 4.1 36.3 1.0 CB A:CYS79 4.3 35.0 1.0 CE B:LYS79 4.3 45.1 1.0 C A:CYS329 4.4 36.2 1.0 CB A:VAL330 4.5 38.7 1.0 CA A:GLU80 4.6 39.1 1.0 N A:GLU80 4.6 38.1 1.0 CG B:LYS79 4.7 39.1 1.0 CA A:VAL330 4.7 38.7 1.0 CA A:CYS79 4.7 34.5 1.0 CB B:LYS79 4.9 35.6 1.0 SG A:CYS329 4.9 36.7 1.0 CG A:GLU80 4.9 48.5 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 93-88


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 93-88 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl510 b:56.5 occ:1.00 O A:ASN396 2.5 40.9 1.0 O A:ARG398 2.5 51.0 1.0 O A:VAL385 2.7 42.8 1.0 OD1 A:ASN396 3.0 37.0 1.0 C A:ASN396 3.5 43.8 1.0 N A:ASN396 3.5 41.7 1.0 C A:ARG398 3.6 46.0 1.0 C A:VAL385 3.6 39.1 1.0 OE1 A:GLN395 3.8 42.0 1.0 CB A:VAL385 3.9 40.3 1.0 CA A:VAL385 3.9 39.1 1.0 CB A:GLN395 4.0 41.5 1.0 CG A:ASN396 4.0 39.1 1.0 CA A:ASN396 4.1 43.2 1.0 C A:GLN395 4.1 43.1 1.0 N A:ARG398 4.1 50.5 1.0 CA A:GLN395 4.2 41.0 1.0 CA A:ARG398 4.4 48.7 1.0 N A:ASP397 4.5 48.2 1.0 N A:LYS399 4.5 49.5 1.0 CG A:GLN395 4.6 40.2 1.0 CG1 A:ILE400 4.6 39.8 1.0 CD A:GLN395 4.6 41.2 1.0 CA A:LYS399 4.6 49.9 1.0 C A:ASP397 4.7 51.9 1.0 CB A:ASN396 4.7 41.9 1.0 CG1 A:VAL385 4.7 40.8 1.0 N A:ILE400 4.8 44.9 1.0 N A:GLY386 4.8 40.5 1.0 CB A:ARG398 4.9 52.9 1.0 CG2 A:VAL385 4.9 37.5 1.0 CA A:ASP397 4.9 54.0 1.0 O A:GLN395 5.0 52.3 1.0 C A:LYS399 5.0 45.7 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 93-88


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 93-88 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl502 b:57.3 occ:1.00 CL1 B:T88502 0.0 57.3 1.0 C02 B:T88502 1.8 50.5 1.0 C01 B:T88502 2.7 51.5 1.0 C03 B:T88502 2.8 57.8 1.0 CL2 B:T88502 3.1 71.2 1.0 CD2 B:PHE114 3.7 25.4 1.0 CG B:PHE114 3.7 26.4 1.0 CB B:PHE114 3.7 26.9 1.0 C06 B:T88502 4.0 56.4 1.0 C04 B:T88502 4.0 61.2 1.0 CD2 A:TYR109 4.1 35.5 1.0 CA B:ILE111 4.1 28.9 1.0 CB A:TYR109 4.1 26.3 1.0 CD1 B:PHE114 4.3 26.5 1.0 CE2 B:PHE114 4.4 26.2 1.0 CG1 B:ILE111 4.5 28.8 1.0 O B:GLN110 4.5 31.6 1.0 CG A:TYR109 4.5 30.0 1.0 C05 B:T88502 4.6 54.5 1.0 CB B:ILE111 4.6 28.0 1.0 CG2 B:ILE111 4.6 29.0 1.0 O B:ILE111 4.7 32.0 1.0 N B:ILE111 4.8 31.9 1.0 CE1 B:PHE114 4.9 26.9 1.0 CZ B:PHE114 4.9 25.9 1.0 C B:ILE111 4.9 30.8 1.0 C B:GLN110 5.0 30.5 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 93-88


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 93-88 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl502 b:71.2 occ:1.00 CL2 B:T88502 0.0 71.2 1.0 C01 B:T88502 1.8 51.5 1.0 C02 B:T88502 2.7 50.5 1.0 C06 B:T88502 2.8 56.4 1.0 CL1 B:T88502 3.1 57.3 1.0 CA A:THR110 3.5 30.6 1.0 CG B:PRO78 3.5 28.5 1.0 CB B:PRO78 3.6 29.0 1.0 O A:TYR109 3.7 35.9 1.0 OG1 A:THR110 3.8 31.7 1.0 N A:THR110 3.8 29.1 1.0 C A:TYR109 3.9 29.4 1.0 C03 B:T88502 4.0 57.8 1.0 C05 B:T88502 4.0 54.5 1.0 CB A:THR110 4.1 30.2 1.0 CG1 B:ILE111 4.4 28.8 1.0 CB A:PHE113 4.4 26.8 1.0 CG2 A:THR110 4.4 32.7 1.0 CB A:TYR109 4.5 26.3 1.0 C04 B:T88502 4.5 61.2 1.0 CD2 A:PHE113 4.6 27.6 1.0 C A:THR110 4.6 30.3 1.0 CA B:PRO78 4.7 30.2 1.0 O A:THR110 4.7 31.9 1.0 CG A:PHE113 4.8 27.3 1.0 CA A:TYR109 4.8 26.8 1.0 CD1 B:ILE111 4.9 29.4 1.0 CD B:PRO78 4.9 29.2 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 93-88


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 93-88 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl503 b:72.8 occ:1.00 N B:ILE133 3.4 38.5 1.0 CG2 B:ILE133 3.5 44.1 1.0 CG1 B:ILE133 3.5 52.7 1.0 NE2 B:GLN153 3.6 37.1 1.0 O B:HOH635 3.6 67.1 1.0 CB B:SER260 3.6 36.2 1.0 N B:LEU261 3.7 38.1 1.0 CB B:LEU261 3.8 40.1 1.0 CD1 B:ILE133 3.8 55.8 1.0 O B:HOH650 3.8 40.9 1.0 CB B:ILE133 3.9 43.8 1.0 CA B:MET132 4.1 32.7 1.0 CA B:LEU261 4.2 39.2 1.0 CA B:ILE133 4.2 38.9 1.0 OG B:SER260 4.3 45.4 1.0 C B:MET132 4.3 33.4 1.0 C B:SER260 4.3 36.8 1.0 CA B:SER260 4.4 34.3 1.0 N B:SER260 4.5 31.3 1.0 CD2 B:LEU261 4.5 41.0 1.0 O B:SER131 4.6 29.7 1.0 CD B:GLN153 4.6 39.1 1.0 CG B:LEU261 4.7 40.5 1.0 O B:PRO148 4.8 43.1 1.0 OE1 B:GLN153 4.8 45.3 1.0 CB B:MET132 4.8 34.8 1.0 O B:HOH638 4.9 48.9 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 93-88


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 93-88 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl504 b:73.4 occ:1.00 N B:ASN74 2.9 56.4 1.0 C8 B:NAG501 3.3 91.7 1.0 N B:GLU75 3.7 46.0 1.0 CB B:ASN74 3.7 66.7 1.0 CA B:ASN74 3.8 56.5 1.0 CA B:MET73 3.8 52.2 1.0 C B:MET73 3.8 56.1 1.0 C7 B:NAG501 3.9 98.3 1.0 CG B:MET73 4.0 50.0 1.0 CG B:GLU75 4.2 43.1 1.0 C B:ASN74 4.2 50.9 1.0 CB B:MET73 4.3 50.7 1.0 O7 B:NAG501 4.3 0.7 1.0 CG B:ASN74 4.4 79.9 1.0 N2 B:NAG501 4.5 94.8 1.0 CB B:GLU75 4.6 40.7 1.0 ND2 B:ASN74 4.6 89.6 1.0 CA B:GLU75 4.7 40.7 1.0 SD B:MET73 4.8 48.3 1.0 O B:ALA72 4.9 55.8 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 93-88


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 93-88 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl505 b:67.1 occ:1.00 OD1 B:ASP138 3.0 41.2 1.0 O B:HOH605 3.3 28.8 1.0 O B:HOH646 3.3 36.8 1.0 CD1 B:PHE114 3.7 26.5 1.0 CG B:ASP138 3.7 37.0 1.0 CB B:ASP138 4.0 38.0 1.0 CA B:PHE114 4.1 26.8 1.0 CB B:ALA117 4.1 29.6 1.0 NE2 B:GLN118 4.2 33.1 1.0 CE1 B:PHE114 4.4 26.9 1.0 O B:PHE114 4.5 27.8 1.0 CG B:PHE114 4.5 26.4 1.0 OD2 B:ASP138 4.5 37.9 1.0 CB B:PHE114 4.5 26.9 1.0 C B:PHE114 4.8 27.7 1.0 CG B:GLN118 4.9 30.9 1.0 CE2 A:TYR109 5.0 36.8 1.0 N B:PHE114 5.0 28.1 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 93-88


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 93-88 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl506 b:72.1 occ:1.00 OE1 B:GLU106 2.9 33.2 1.0 O B:ASP104 3.1 31.5 1.0 O B:HOH653 3.2 39.0 1.0 N B:GLU235 3.5 31.4 1.0 O B:HOH620 3.6 23.2 1.0 O B:HOH631 3.7 32.6 1.0 CB B:GLU235 3.7 28.3 1.0 CD B:GLU106 3.8 29.6 1.0 OE2 B:GLU106 4.0 33.7 1.0 N B:LYS234 4.1 30.5 1.0 CB B:LYS234 4.1 30.7 1.0 CA B:GLU235 4.2 31.5 1.0 C B:ASP104 4.3 31.1 1.0 CB B:THR233 4.3 30.4 1.0 OG1 B:THR233 4.4 30.6 1.0 CA B:LYS234 4.4 32.0 1.0 C B:LYS234 4.4 32.3 1.0 O B:HOH629 4.7 29.1 1.0 CA B:GLN105 4.8 27.1 1.0 N B:GLU106 4.8 24.2 1.0 CB B:ASP104 4.9 32.8 1.0 C B:THR233 4.9 30.1 1.0 N B:GLN105 5.0 28.7 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 93-88


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 93-88 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl504 b:68.7 occ:1.00 N C:CYS329 3.3 55.6 1.0 CD D:LYS79 3.6 60.7 1.0 NZ D:LYS79 3.7 68.6 1.0 O C:CYS79 3.8 55.8 1.0 N C:VAL330 3.8 52.3 1.0 CG2 C:VAL330 3.9 56.2 1.0 CA C:GLY328 3.9 56.1 1.0 C C:GLY328 4.1 56.2 1.0 C C:CYS79 4.1 54.1 1.0 CA C:CYS329 4.2 53.2 1.0 CB C:CYS329 4.2 54.2 1.0 CE D:LYS79 4.3 62.5 1.0 CB C:CYS79 4.4 50.0 1.0 CB C:VAL330 4.5 57.2 1.0 C C:CYS329 4.5 51.4 1.0 CA C:GLU80 4.6 56.5 1.0 N C:GLU80 4.6 55.3 1.0 CA C:VAL330 4.8 55.7 1.0 CA C:CYS79 4.8 50.0 1.0 CG D:LYS79 4.8 58.4 1.0 CB C:SER84 4.9 56.7 1.0 CG C:GLU80 5.0 67.2 1.0 CB D:LYS79 5.0 53.5 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 93-88


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 93-88 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl505 b:61.5 occ:1.00 N C:ARG124 3.4 38.5 1.0 CE1 C:HIS94 3.8 48.4 1.0 ND1 C:HIS94 4.0 46.3 1.0 CB C:ARG124 4.0 38.5 1.0 NE2 C:HIS94 4.1 50.6 1.0 CA C:THR123 4.1 41.7 1.0 N C:MET125 4.1 35.2 1.0 CG C:MET125 4.2 42.3 1.0 CA C:ARG124 4.2 37.6 1.0 OH C:TYR144 4.2 35.3 1.0 C C:THR123 4.2 40.5 1.0 O C:THR122 4.3 43.1 1.0 CG2 C:THR123 4.4 38.1 1.0 CG C:ARG124 4.4 39.6 1.0 CG C:HIS94 4.4 46.3 1.0 CD2 C:HIS94 4.5 47.4 1.0 C C:ARG124 4.6 37.0 1.0 CE2 C:TYR144 4.7 31.1 1.0 SD C:MET125 4.7 41.5 1.0 CZ C:TYR144 4.8 30.9 1.0 CB C:THR123 4.8 39.0 1.0 CB C:MET125 5.0 38.5 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