Chlorine in PDB 6e7u: Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-31

The structure of Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-31, PDB code: 6e7u 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 / 2.27
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	268.620, 59.595, 145.914, 90.00, 117.10, 90.00
R / Rfree (%)	20.2 / 23.7

The structure of Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-31 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 93-31 (pdb code 6e7u). 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 93-31, PDB code: 6e7u:
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 93-31


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 93-31 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl508 b:57.8 occ:1.00 CD B:LYS79 3.3 30.9 1.0 N A:CYS329 3.3 27.7 1.0 CE B:LYS79 3.8 32.9 1.0 O A:CYS79 3.8 26.0 1.0 CA A:GLY328 3.9 29.0 1.0 N A:VAL330 4.0 28.7 1.0 CG2 A:VAL330 4.1 30.6 1.0 C A:GLY328 4.1 28.2 1.0 C A:CYS79 4.1 25.8 1.0 CB A:CYS329 4.3 26.8 1.0 CA A:CYS329 4.3 27.2 1.0 CA A:GLU80 4.5 28.3 1.0 CB A:CYS79 4.5 25.6 1.0 N A:GLU80 4.6 26.8 1.0 CB A:VAL330 4.7 30.7 1.0 C A:CYS329 4.7 28.1 1.0 CG B:LYS79 4.7 28.8 1.0 CA A:CYS79 4.8 24.6 1.0 CB A:SER84 4.9 27.9 1.0 CG A:GLU80 4.9 31.5 1.0 CA A:VAL330 5.0 29.7 1.0 CB B:LYS79 5.0 26.8 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 93-31


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 93-31 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl509 b:48.2 occ:1.00 O A:ARG398 2.5 39.0 1.0 O A:ASN396 2.6 38.9 1.0 O A:VAL385 2.7 33.1 1.0 OD1 A:ASN396 3.1 35.1 1.0 C A:ASN396 3.6 38.8 1.0 C A:ARG398 3.6 40.2 1.0 C A:VAL385 3.6 31.8 1.0 N A:ASN396 3.7 36.2 1.0 CB A:VAL385 3.8 31.9 1.0 OE1 A:GLN395 3.9 38.0 1.0 CA A:VAL385 3.9 31.5 1.0 CB A:GLN395 4.0 37.6 1.0 N A:ARG398 4.2 40.8 1.0 CA A:ASN396 4.2 37.2 1.0 CG A:ASN396 4.2 34.7 1.0 C A:GLN395 4.2 37.0 1.0 CA A:GLN395 4.3 36.3 1.0 CA A:ARG398 4.4 40.7 1.0 CG1 A:VAL385 4.5 32.4 1.0 CG1 A:ILE400 4.5 37.1 1.0 N A:LYS399 4.5 41.2 1.0 N A:ASP397 4.6 40.4 1.0 CA A:LYS399 4.6 41.6 1.0 N A:ILE400 4.6 39.8 1.0 CG A:GLN395 4.6 37.0 1.0 CD A:GLN395 4.7 38.1 1.0 C A:ASP397 4.7 42.3 1.0 C A:LYS399 4.8 40.1 1.0 CB A:ASN396 4.8 35.7 1.0 CG2 A:VAL385 4.8 30.7 1.0 N A:GLY386 4.8 30.8 1.0 CD1 A:ILE400 4.9 37.1 1.0 CB A:ARG398 5.0 39.6 1.0 O A:GLN395 5.0 38.6 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 93-31


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 93-31 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl503 b:42.4 occ:1.00 CL1 B:HX7503 0.0 42.4 1.0 CAZ B:HX7503 1.8 39.6 1.0 CAY B:HX7503 2.7 39.5 1.0 CAN B:HX7503 2.7 39.5 1.0 CL2 B:HX7503 3.1 41.7 1.0 CG B:PRO78 3.4 20.8 1.0 CB A:PHE113 3.4 19.9 1.0 O A:TYR109 3.5 19.9 1.0 CD2 A:PHE113 3.7 21.8 1.0 CA A:THR110 3.7 19.6 1.0 CB B:PRO78 3.8 21.1 1.0 CG A:PHE113 3.9 20.9 1.0 C A:TYR109 4.0 19.5 1.0 CAI B:HX7503 4.0 38.8 1.0 CAX B:HX7503 4.0 39.5 1.0 CG1 B:ILE111 4.1 18.5 1.0 N A:THR110 4.1 19.3 1.0 OG1 A:THR110 4.4 20.6 1.0 O A:THR110 4.4 19.6 1.0 CD1 B:ILE111 4.5 18.9 1.0 CB A:THR110 4.5 19.9 1.0 C A:THR110 4.5 19.0 1.0 CAH B:HX7503 4.5 39.4 1.0 CA A:PHE113 4.6 19.7 1.0 CE2 A:PHE113 4.7 23.0 1.0 CG2 A:THR110 4.8 20.5 1.0 CD B:PRO78 4.8 21.5 1.0 CB A:TYR109 4.8 20.2 1.0 CD1 A:PHE113 4.9 21.1 1.0 N A:PHE113 4.9 18.9 1.0 CA B:PRO78 5.0 21.2 1.0 CA A:TYR109 5.0 19.5 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 93-31


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 93-31 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl503 b:41.7 occ:1.00 CL2 B:HX7503 0.0 41.7 1.0 CAY B:HX7503 1.8 39.5 1.0 CAZ B:HX7503 2.7 39.6 1.0 CAI B:HX7503 2.8 38.8 1.0 CL1 B:HX7503 3.1 42.4 1.0 CG1 B:ILE111 4.0 18.5 1.0 CAN B:HX7503 4.0 39.5 1.0 OG1 A:THR110 4.0 20.6 1.0 CAH B:HX7503 4.1 39.4 1.0 CD2 B:PHE114 4.1 19.0 1.0 CB B:PRO78 4.4 21.1 1.0 CD1 B:ILE82 4.4 23.9 1.0 CE2 B:PHE114 4.5 20.0 1.0 CA B:ILE111 4.5 18.3 1.0 CG2 B:ILE111 4.5 19.6 1.0 CB A:TYR109 4.6 20.2 1.0 CAX B:HX7503 4.6 39.5 1.0 CB B:ILE111 4.6 18.6 1.0 CG B:PHE114 4.6 18.5 1.0 CB B:PHE114 4.9 17.7 1.0 CA A:THR110 4.9 19.6 1.0 CG B:PRO78 5.0 20.8 1.0 N A:THR110 5.0 19.3 1.0 CB A:ALA75 5.0 22.1 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 93-31


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 93-31 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl504 b:53.1 occ:1.00 CG2 B:ILE133 3.4 29.9 1.0 N B:ILE133 3.4 25.6 1.0 NE2 B:GLN153 3.6 28.2 1.0 CB B:SER260 3.6 25.7 1.0 CB B:LEU261 3.6 23.2 1.0 N B:LEU261 3.6 24.2 1.0 CG1 B:ILE133 3.8 29.1 1.0 O B:HOH608 3.9 49.1 1.0 CB B:ILE133 4.0 28.8 1.0 CA B:MET132 4.1 23.0 1.0 CA B:LEU261 4.1 23.8 1.0 C B:MET132 4.3 23.8 1.0 CA B:ILE133 4.3 27.1 1.0 CA B:SER260 4.3 25.5 1.0 C B:SER260 4.4 24.9 1.0 CD1 B:ILE133 4.4 30.6 1.0 CD2 B:LEU261 4.4 24.0 1.0 N B:SER260 4.4 25.1 1.0 CG B:LEU261 4.6 23.2 1.0 OG B:SER260 4.6 27.0 1.0 CD B:GLN153 4.6 29.4 1.0 O B:SER131 4.7 22.7 1.0 CB B:MET132 4.7 22.7 1.0 OE1 B:GLN153 4.8 29.7 1.0 CG B:MET132 5.0 23.3 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 93-31


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 93-31 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl505 b:72.5 occ:1.00 N B:ASN74 3.2 41.9 1.0 N B:GLU75 3.7 35.5 1.0 C8 B:NAG501 3.9 64.9 1.0 CB B:ASN74 4.0 46.6 1.0 CA B:ASN74 4.0 42.3 1.0 CA B:MET73 4.1 41.0 1.0 C B:MET73 4.1 41.2 1.0 O B:HOH657 4.1 41.7 1.0 CG B:GLU75 4.2 35.9 1.0 CG B:MET73 4.3 39.4 1.0 CB B:GLU75 4.3 33.7 1.0 CB B:MET73 4.4 39.2 1.0 C B:ASN74 4.4 38.7 1.0 ND2 B:ASN74 4.4 55.8 1.0 C7 B:NAG501 4.4 66.1 1.0 CA B:GLU75 4.6 32.8 1.0 SD B:MET73 4.6 37.7 1.0 CG B:ASN74 4.6 51.2 1.0 N2 B:NAG501 4.7 64.7 1.0 O B:GLU75 4.8 29.3 1.0 CB B:SER80 4.9 26.2 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 93-31


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 93-31 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl506 b:53.3 occ:1.00 OD2 B:ASP138 3.1 27.2 1.0 O A:HOH722 3.1 40.5 1.0 O B:HOH629 3.4 21.2 1.0 CB B:ALA117 3.7 21.0 1.0 CD1 B:PHE114 3.7 18.9 1.0 CG B:ASP138 3.7 27.2 1.0 O B:HOH676 3.8 37.7 1.0 CA B:PHE114 3.8 18.0 1.0 CB B:ASP138 4.0 26.2 1.0 O B:PHE114 4.2 19.6 1.0 NE2 B:GLN118 4.2 23.1 1.0 CB B:PHE114 4.3 17.7 1.0 CG B:PHE114 4.4 18.5 1.0 CE1 B:PHE114 4.5 19.9 1.0 C B:PHE114 4.5 18.8 1.0 OD1 B:ASP138 4.6 28.1 1.0 O B:ASP113 4.7 18.9 1.0 N B:PHE114 4.7 17.6 1.0 CG B:GLN118 4.8 22.5 1.0 O A:HOH729 4.9 46.8 1.0 CE2 A:TYR109 5.0 22.1 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 93-31


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 93-31 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl507 b:61.2 occ:1.00 O B:HOH669 2.4 47.7 1.0 O B:HOH607 2.8 27.1 1.0 OE1 B:GLU106 3.0 18.3 1.0 O B:HOH675 3.2 25.3 1.0 N B:GLU235 3.2 22.2 1.0 O B:ASP104 3.5 20.3 1.0 CB B:GLU235 3.5 22.9 1.0 O B:HOH652 3.5 20.7 1.0 N B:LYS234 3.7 20.2 1.0 CB B:LYS234 3.8 21.4 1.0 CD B:GLU106 3.8 17.8 1.0 OE2 B:GLU106 3.9 18.2 1.0 CB B:THR233 4.0 19.0 1.0 CA B:GLU235 4.0 23.1 1.0 OG1 B:THR233 4.0 19.6 1.0 CA B:LYS234 4.1 21.4 1.0 C B:LYS234 4.1 22.2 1.0 O B:HOH649 4.5 26.9 1.0 C B:THR233 4.5 20.3 1.0 C B:ASP104 4.7 20.5 1.0 CA B:THR233 4.8 19.5 1.0 O B:HOH661 4.9 15.0 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 93-31


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 93-31 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl504 b:69.6 occ:1.00 N C:CYS329 3.3 42.9 1.0 CD D:LYS79 3.5 46.9 1.0 O C:CYS79 3.6 40.5 1.0 CA C:GLY328 3.9 44.5 1.0 N C:VAL330 3.9 44.9 1.0 CG2 C:VAL330 4.0 48.5 1.0 C C:CYS79 4.0 40.1 1.0 C C:GLY328 4.1 43.4 1.0 CE D:LYS79 4.1 48.8 1.0 CB C:CYS329 4.1 41.3 1.0 CA C:CYS329 4.2 42.1 1.0 CB C:CYS79 4.2 39.6 1.0 CA C:GLU80 4.5 43.5 1.0 N C:GLU80 4.5 41.2 1.0 CB C:VAL330 4.6 48.9 1.0 C C:CYS329 4.6 43.6 1.0 CA C:CYS79 4.6 38.4 1.0 CG D:LYS79 4.8 44.8 1.0 SG C:CYS329 4.8 39.2 1.0 CA C:VAL330 4.9 47.0 1.0 CB C:SER84 4.9 45.1 1.0 CG C:GLU80 4.9 46.9 1.0 CB D:LYS79 4.9 42.8 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 93-31


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 93-31 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl505 b:43.9 occ:1.00 N C:ARG124 3.4 23.2 1.0 CE1 C:HIS94 3.8 35.8 1.0 NE2 C:HIS94 3.9 36.5 1.0 CG C:MET125 4.0 24.5 1.0 N C:MET125 4.1 22.7 1.0 CA C:THR123 4.2 23.7 1.0 ND1 C:HIS94 4.2 36.0 1.0 CB C:ARG124 4.2 24.0 1.0 CA C:ARG124 4.2 23.3 1.0 C C:THR123 4.3 23.2 1.0 CD2 C:HIS94 4.3 37.2 1.0 OH C:TYR144 4.4 24.1 1.0 CG C:HIS94 4.4 36.7 1.0 CG2 C:THR123 4.4 23.4 1.0 O C:THR122 4.5 24.9 1.0 CG C:ARG124 4.5 24.8 1.0 SD C:MET125 4.6 25.8 1.0 C C:ARG124 4.6 22.9 1.0 CE2 C:TYR144 4.7 23.2 1.0 CB C:THR123 4.8 23.6 1.0 CZ C:TYR144 4.9 23.7 1.0 CB C:MET125 4.9 23.6 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