Chlorine in PDB 6e7r: Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-4

The structure of Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-4, PDB code: 6e7r 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 / 2.10
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	267.953, 59.898, 145.286, 90.00, 116.69, 90.00
R / Rfree (%)	18.9 / 21.8

The structure of Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-4 also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 16;

Binding sites:

The binding sites of Chlorine atom in the Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-4 (pdb code 6e7r). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 16 binding sites of Chlorine where determined in the Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-4, PDB code: 6e7r:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 16 in the Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-4


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 93-4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl509 b:53.5 occ:1.00 N A:CYS329 3.2 23.1 1.0 O A:CYS79 3.7 22.4 1.0 CA A:GLY328 3.7 21.7 1.0 CD B:LYS79 3.8 26.3 1.0 NZ B:LYS79 3.9 34.8 1.0 C A:CYS79 4.0 21.5 1.0 C A:GLY328 4.0 23.2 1.0 N A:VAL330 4.0 23.0 1.0 CG2 A:VAL330 4.1 23.3 1.0 CB A:CYS329 4.1 22.7 1.0 CA A:CYS329 4.1 22.6 1.0 CB A:CYS79 4.2 21.3 1.0 CA A:GLU80 4.4 25.0 1.0 N A:GLU80 4.4 22.1 1.0 CE B:LYS79 4.5 29.4 1.0 C A:CYS329 4.6 23.3 1.0 CA A:CYS79 4.6 19.8 1.0 CG A:GLU80 4.7 36.7 1.0 CB A:VAL330 4.7 23.5 1.0 CG B:LYS79 4.8 23.5 1.0 SG A:CYS329 4.9 23.2 1.0 CB B:LYS79 5.0 20.2 1.0 CA A:VAL330 5.0 23.0 1.0 CB A:SER84 5.0 21.8 1.0

Chlorine binding site 2 out of 16 in the Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-4


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 93-4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl510 b:42.8 occ:1.00 O A:HOH601 2.0 11.6 1.0 NE2 A:GLN395 2.7 29.6 1.0 O A:ARG398 3.2 30.0 1.0 O A:VAL385 3.3 24.8 1.0 O A:ASN396 3.5 28.9 1.0 CB A:GLN395 3.7 28.5 1.0 CD A:GLN395 3.8 29.3 1.0 CG1 A:ILE400 3.8 29.5 1.0 CD1 A:ILE400 3.8 30.3 1.0 CG A:GLN395 4.0 28.2 1.0 CB A:VAL385 4.2 23.9 1.0 N A:ILE400 4.3 32.3 1.0 C A:ARG398 4.3 33.5 1.0 C A:VAL385 4.3 24.5 1.0 CA A:GLN395 4.5 27.4 1.0 N A:ASN396 4.5 28.1 1.0 OD1 A:ASN396 4.5 25.1 1.0 CA A:LYS399 4.6 35.5 1.0 C A:ASN396 4.6 30.5 1.0 CA A:VAL385 4.6 24.1 1.0 C A:LYS399 4.7 34.2 1.0 C A:GLN395 4.7 28.5 1.0 CB A:ILE400 4.8 30.8 1.0 OE1 A:GLN395 4.8 31.1 1.0 N A:LYS399 4.9 33.1 1.0 CG2 A:VAL385 4.9 23.4 1.0 CG1 A:VAL385 4.9 25.3 1.0

Chlorine binding site 3 out of 16 in the Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-4


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 93-4 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl503 b:38.8 occ:1.00 CL1 B:HYS503 0.0 38.8 1.0 C02 B:HYS503 1.8 27.6 1.0 C01 B:HYS503 2.7 26.0 1.0 C03 B:HYS503 2.7 26.9 1.0 CL2 B:HYS503 3.1 37.6 1.0 CD2 B:PHE114 4.0 13.8 1.0 C06 B:HYS503 4.0 33.5 1.0 C04 B:HYS503 4.0 38.9 1.0 CG1 B:ILE111 4.2 12.7 1.0 OG1 A:THR110 4.2 20.3 1.0 CD1 B:ILE82 4.3 18.9 1.0 CE2 B:PHE114 4.3 15.6 1.0 CB B:PRO78 4.3 14.9 1.0 C05 B:HYS503 4.5 35.4 1.0 CG B:PHE114 4.5 13.0 1.0 CG2 B:ILE111 4.5 13.4 1.0 CA B:ILE111 4.6 12.0 1.0 CB B:ILE111 4.7 12.4 1.0 CB A:TYR109 4.7 15.9 1.0 CB A:ALA75 4.8 14.7 1.0 CB B:PHE114 4.9 12.3 1.0

Chlorine binding site 4 out of 16 in the Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-4


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 93-4 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl503 b:37.6 occ:1.00 CL2 B:HYS503 0.0 37.6 1.0 C01 B:HYS503 1.7 26.0 1.0 C02 B:HYS503 2.7 27.6 1.0 C06 B:HYS503 2.7 33.5 1.0 CL1 B:HYS503 3.1 38.8 1.0 CG B:PRO78 3.4 15.0 1.0 O A:TYR109 3.5 14.6 1.0 CB A:PHE113 3.6 13.3 1.0 CB B:PRO78 3.7 14.9 1.0 CA A:THR110 3.8 15.3 1.0 CD2 A:PHE113 3.9 14.9 1.0 C03 B:HYS503 4.0 26.9 1.0 C05 B:HYS503 4.0 35.4 1.0 C A:TYR109 4.0 15.1 1.0 CG1 B:ILE111 4.0 12.7 1.0 CG A:PHE113 4.1 14.1 1.0 N A:THR110 4.2 14.0 1.0 OG1 A:THR110 4.4 20.3 1.0 CD1 B:ILE111 4.5 13.6 1.0 C04 B:HYS503 4.5 38.9 1.0 CB A:THR110 4.6 17.6 1.0 O A:THR110 4.6 14.3 1.0 C A:THR110 4.7 14.3 1.0 CB A:TYR109 4.8 15.9 1.0 CD B:PRO78 4.8 15.0 1.0 CG2 A:THR110 4.8 20.0 1.0 CA A:PHE113 4.9 13.1 1.0 CA B:PRO78 4.9 14.6 1.0 CE2 A:PHE113 4.9 15.8 1.0 CA A:TYR109 5.0 14.7 1.0

Chlorine binding site 5 out of 16 in the Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-4


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 93-4 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl504 b:46.6 occ:1.00 O B:HOH641 2.2 28.4 1.0 O B:HOH665 2.9 36.9 1.0 N B:ILE133 3.0 17.5 1.0 O B:HOH674 3.2 49.6 1.0 CG2 B:ILE133 3.3 37.9 1.0 CA B:MET132 3.6 14.8 1.0 CG1 B:ILE133 3.7 37.0 1.0 CB B:LEU261 3.8 19.6 1.0 C B:MET132 3.8 16.7 1.0 CB B:ILE133 3.8 32.8 1.0 CA B:ILE133 3.9 23.5 1.0 N B:LEU261 4.0 18.6 1.0 O B:HOH678 4.0 57.5 1.0 O B:SER131 4.0 18.8 1.0 CB B:SER260 4.0 23.7 1.0 NE2 B:GLN153 4.1 21.1 1.0 CA B:LEU261 4.3 20.7 1.0 CB B:MET132 4.3 14.9 1.0 CD1 B:ILE133 4.4 53.7 1.0 N B:MET132 4.6 14.8 1.0 OG B:SER260 4.7 30.9 1.0 C B:SER260 4.7 21.3 1.0 CG B:MET132 4.7 15.2 1.0 C B:SER131 4.7 14.9 1.0 CG B:LEU261 4.8 19.3 1.0 CA B:SER260 4.8 21.0 1.0 O B:PRO148 4.9 29.4 1.0 CD2 B:LEU261 4.9 21.4 1.0

Chlorine binding site 6 out of 16 in the Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-4


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 93-4 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl505 b:68.8 occ:1.00 N B:ASN74 3.2 34.2 1.0 N B:GLU75 3.8 25.5 1.0 C8 B:NAG501 3.9 88.4 1.0 CB B:ASN74 3.9 47.9 1.0 O B:HOH640 4.0 40.2 1.0 CA B:ASN74 4.0 35.7 1.0 CG B:MET73 4.0 42.5 1.0 CA B:MET73 4.0 34.7 1.0 C B:MET73 4.1 34.4 1.0 CB B:MET73 4.4 35.6 1.0 CG B:GLU75 4.4 25.6 1.0 C B:ASN74 4.4 31.6 1.0 C7 B:NAG501 4.5 95.4 1.0 CB B:GLU75 4.5 23.3 1.0 SD B:MET73 4.6 38.3 1.0 CA B:GLU75 4.7 22.4 1.0 CG B:ASN74 4.7 53.0 1.0 O B:GLU75 4.9 18.2 1.0 ND2 B:ASN74 4.9 68.1 1.0 O7 B:NAG501 4.9 86.6 1.0 CD B:ARG84 5.0 38.3 1.0 N2 B:NAG501 5.0 87.9 1.0 CB B:SER80 5.0 17.7 1.0

Chlorine binding site 7 out of 16 in the Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-4


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 93-4 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl506 b:54.0 occ:1.00 O A:HOH716 3.1 33.8 1.0 O B:HOH613 3.2 18.6 1.0 OD1 B:ASP138 3.3 22.8 1.0 CG B:ASP138 3.7 20.7 1.0 CD1 B:PHE114 3.8 13.7 1.0 CB B:ASP138 3.8 19.1 1.0 CA B:PHE114 4.0 12.1 1.0 CB B:ALA117 4.1 16.4 1.0 O B:HOH680 4.2 36.9 1.0 O B:HOH676 4.2 30.4 1.0 CB B:PHE114 4.5 12.3 1.0 O B:PHE114 4.5 13.0 1.0 CG B:PHE114 4.5 13.0 1.0 CE1 B:PHE114 4.5 14.7 1.0 OD2 B:ASP138 4.6 20.9 1.0 NE2 B:GLN118 4.7 20.1 1.0 C B:PHE114 4.8 12.8 1.0 N B:PHE114 4.8 11.9 1.0 CE2 A:TYR109 4.8 23.9 1.0 O B:ASP113 4.8 12.2 1.0 OD2 B:ASP113 4.9 17.2 1.0

Chlorine binding site 8 out of 16 in the Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-4


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 93-4 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl507 b:57.2 occ:1.00 O B:HOH633 2.5 48.8 1.0 OE1 B:GLU106 2.7 18.5 1.0 N B:GLU235 3.1 18.8 1.0 O B:HOH679 3.1 29.6 1.0 O B:HOH659 3.4 13.7 1.0 O B:ASP104 3.4 16.0 1.0 CB B:GLU235 3.5 21.5 1.0 N B:LYS234 3.6 13.8 1.0 CD B:GLU106 3.7 17.7 1.0 CB B:THR233 3.8 11.4 1.0 OG1 B:THR233 3.9 11.0 1.0 CB B:LYS234 3.9 16.6 1.0 CA B:GLU235 3.9 19.9 1.0 O B:HOH628 3.9 22.0 1.0 OE2 B:GLU106 3.9 19.6 1.0 C B:LYS234 4.0 16.9 1.0 CA B:LYS234 4.0 16.8 1.0 C B:THR233 4.3 15.0 1.0 CG B:GLU235 4.5 26.5 1.0 C B:ASP104 4.6 14.8 1.0 CA B:THR233 4.6 12.4 1.0 OE2 B:GLU235 4.8 46.9 1.0 CG2 B:THR233 4.9 10.4 1.0 O B:HOH672 5.0 9.9 1.0

Chlorine binding site 9 out of 16 in the Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-4


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 93-4 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl505 b:71.9 occ:1.00 N C:CYS329 3.1 41.1 1.0 O C:CYS79 3.5 41.6 1.0 CA C:GLY328 3.7 41.2 1.0 C C:CYS79 3.9 40.2 1.0 C C:GLY328 3.9 39.6 1.0 CB C:CYS329 4.0 39.2 1.0 N C:VAL330 4.0 40.4 1.0 CD D:LYS79 4.0 48.6 1.0 CA C:CYS329 4.0 39.8 1.0 CB C:CYS79 4.1 39.0 1.0 CG2 C:VAL330 4.1 43.7 1.0 NZ D:LYS79 4.2 59.6 1.0 CA C:GLU80 4.3 42.5 1.0 N C:GLU80 4.4 39.9 1.0 CA C:CYS79 4.5 37.7 1.0 C C:CYS329 4.6 40.7 1.0 SG C:CYS329 4.7 41.1 1.0 CE D:LYS79 4.8 53.5 1.0 CG C:GLU80 4.8 54.1 1.0 CB C:SER84 4.8 43.1 1.0 CB C:VAL330 4.8 44.6 1.0 CG D:LYS79 4.8 44.5 1.0

Chlorine binding site 10 out of 16 in the Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-4


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 93-4 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl506 b:47.9 occ:1.00 N C:ARG124 3.4 20.6 1.0 CE1 C:HIS94 3.8 33.6 1.0 CG C:MET125 4.0 26.6 1.0 ND1 C:HIS94 4.0 34.5 1.0 CA C:THR123 4.1 27.0 1.0 NE2 C:HIS94 4.1 40.2 1.0 N C:MET125 4.2 19.0 1.0 CB C:ARG124 4.2 22.8 1.0 CG2 C:THR123 4.3 34.3 1.0 CA C:ARG124 4.3 20.8 1.0 C C:THR123 4.3 23.7 1.0 OH C:TYR144 4.4 20.1 1.0 CG C:HIS94 4.5 36.4 1.0 O C:THR122 4.5 27.1 1.0 CG C:ARG124 4.5 24.4 1.0 SD C:MET125 4.6 30.1 1.0 CD2 C:HIS94 4.6 36.1 1.0 C C:ARG124 4.7 19.8 1.0 CE2 C:TYR144 4.7 19.5 1.0 CB C:THR123 4.8 32.8 1.0 CZ C:TYR144 4.9 20.5 1.0 CB C:MET125 4.9 22.4 1.0

M.C.Regan, Z.Zhu, H.Yuan, S.J.Myers, D.S.Menaldino, Y.A.Tahirovic, D.C.Liotta, S.F.Traynelis, H.Furukawa. Structural Elements of A pH-Sensitive Inhibitor Binding Site in Nmda Receptors Nat Commun V. 10 321 2019.
ISSN: ESSN 2041-1723