Chlorine in PDB 6e7x: Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-97

Protein crystallography data

The structure of Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-97, PDB code: 6e7x 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 / 2.58
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 268.420, 59.536, 146.114, 90.00, 116.69, 90.00
R / Rfree (%) 18.5 / 21.6

Other elements in 6e7x:

The structure of Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-97 also contains other interesting chemical elements:

Sodium (Na) 2 atoms

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 13;

Binding sites:

The binding sites of Chlorine atom in the Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-97 (pdb code 6e7x). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 13 binding sites of Chlorine where determined in the Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-97, PDB code: 6e7x:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 13 in 6e7x

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Chlorine binding site 1 out of 13 in the Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-97


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 93-97 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl509

b:66.4
occ:1.00
CD B:LYS79 3.3 44.9 1.0
N A:CYS329 3.4 32.8 1.0
CE B:LYS79 3.6 47.6 1.0
O A:CYS79 3.8 33.2 1.0
N A:VAL330 3.9 33.4 1.0
CA A:GLY328 4.0 31.0 1.0
CG2 A:VAL330 4.1 33.3 1.0
C A:GLY328 4.2 32.0 1.0
C A:CYS79 4.2 31.2 1.0
CB A:CYS329 4.3 31.4 1.0
CA A:CYS329 4.3 31.7 1.0
CB A:CYS79 4.5 32.1 1.0
CA A:GLU80 4.5 35.1 1.0
CB A:VAL330 4.6 33.0 1.0
N A:GLU80 4.6 31.9 1.0
CG B:LYS79 4.6 38.7 1.0
C A:CYS329 4.7 33.6 1.0
CG A:GLU80 4.8 47.0 1.0
CA A:CYS79 4.9 30.3 1.0
CA A:VAL330 4.9 33.3 1.0
CB B:LYS79 4.9 34.8 1.0
CB A:SER84 5.0 33.3 1.0

Chlorine binding site 2 out of 13 in 6e7x

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Chlorine binding site 2 out of 13 in the Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-97


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 93-97 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl510

b:48.2
occ:1.00
O A:ARG398 2.5 43.9 1.0
O A:ASN396 2.7 37.1 1.0
O A:VAL385 2.7 35.7 1.0
OD1 A:ASN396 3.3 32.2 1.0
C A:ARG398 3.7 42.9 1.0
C A:VAL385 3.7 34.8 1.0
C A:ASN396 3.7 39.0 1.0
N A:ASN396 3.7 36.8 1.0
OE1 A:GLN395 3.7 36.8 1.0
CB A:VAL385 3.9 33.4 1.0
CB A:GLN395 3.9 36.5 1.0
CA A:VAL385 4.0 33.5 1.0
C A:GLN395 4.3 37.1 1.0
CA A:ASN396 4.3 37.0 1.0
CA A:GLN395 4.3 35.8 1.0
CG A:ASN396 4.4 33.1 1.0
N A:ARG398 4.4 48.0 1.0
CG A:GLN395 4.4 35.1 1.0
CG1 A:ILE400 4.5 37.9 1.0
N A:ILE400 4.5 42.9 1.0
CD A:GLN395 4.5 36.3 1.0
CA A:LYS399 4.5 48.2 1.0
N A:LYS399 4.5 46.9 1.0
CA A:ARG398 4.6 45.9 1.0
CG1 A:VAL385 4.7 34.5 1.0
N A:ASP397 4.7 43.3 1.0
C A:LYS399 4.8 45.4 1.0
C A:ASP397 4.9 48.5 1.0
CD1 A:ILE400 4.9 37.8 1.0
CG2 A:VAL385 4.9 31.9 1.0
N A:GLY386 4.9 35.6 1.0
CB A:ASN396 5.0 34.9 1.0

Chlorine binding site 3 out of 13 in 6e7x

Go back to Chlorine Binding Sites List in 6e7x
Chlorine binding site 3 out of 13 in the Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-97


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 93-97 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl503

b:52.4
occ:1.00
CL1 B:T97503 0.0 52.4 1.0
C02 B:T97503 1.8 34.9 1.0
C01 B:T97503 2.7 44.2 1.0
C03 B:T97503 2.8 40.7 1.0
CL2 B:T97503 3.1 64.7 1.0
C06 B:T97503 4.0 48.1 1.0
C04 B:T97503 4.0 57.4 1.0
CG1 B:ILE111 4.0 22.4 1.0
CD2 B:PHE114 4.1 23.1 1.0
OG1 A:THR110 4.3 26.5 1.0
CA B:ILE111 4.4 22.6 1.0
CG B:PHE114 4.4 22.9 1.0
CG2 B:ILE111 4.4 25.0 1.0
CB B:PRO78 4.4 25.2 1.0
CD1 B:ILE82 4.5 24.3 1.0
CE2 B:PHE114 4.5 25.0 1.0
CB B:ILE111 4.5 22.6 1.0
C05 B:T97503 4.6 60.8 1.0
CB A:TYR109 4.6 24.3 1.0
CB B:PHE114 4.7 23.6 1.0

Chlorine binding site 4 out of 13 in 6e7x

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Chlorine binding site 4 out of 13 in the Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-97


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 93-97 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl503

b:64.7
occ:1.00
CL2 B:T97503 0.0 64.7 1.0
C01 B:T97503 1.8 44.2 1.0
C02 B:T97503 2.7 34.9 1.0
C06 B:T97503 2.8 48.1 1.0
CL1 B:T97503 3.1 52.4 1.0
CG B:PRO78 3.5 24.3 1.0
O A:TYR109 3.5 29.6 1.0
CB A:PHE113 3.6 23.8 1.0
CD1 A:PHE113 3.8 24.1 1.0
CA A:THR110 3.8 25.9 1.0
C A:TYR109 3.9 26.4 1.0
CB B:PRO78 3.9 25.2 1.0
CG A:PHE113 4.0 23.8 1.0
C03 B:T97503 4.0 40.7 1.0
C05 B:T97503 4.0 60.8 1.0
CG1 B:ILE111 4.0 22.4 1.0
N A:THR110 4.1 25.6 1.0
OG1 A:THR110 4.5 26.5 1.0
CD1 B:ILE111 4.5 23.4 1.0
C04 B:T97503 4.5 57.4 1.0
O A:THR110 4.6 27.0 1.0
CB A:THR110 4.6 25.8 1.0
C A:THR110 4.7 25.4 1.0
CB A:TYR109 4.7 24.3 1.0
CA A:PHE113 4.7 23.9 1.0
CE1 A:PHE113 4.7 25.7 1.0
CD B:PRO78 4.9 24.9 1.0
O B:HOH657 4.9 45.0 1.0
CA A:TYR109 4.9 25.2 1.0
N A:PHE113 5.0 24.1 1.0
CG2 A:THR110 5.0 26.9 1.0

Chlorine binding site 5 out of 13 in 6e7x

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Chlorine binding site 5 out of 13 in the Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-97


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 93-97 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl504

b:59.6
occ:1.00
CG2 B:ILE133 3.2 52.0 1.0
NE2 B:GLN153 3.4 32.6 1.0
N B:LEU261 3.4 28.7 1.0
CB B:LEU261 3.4 28.5 1.0
CB B:SER260 3.6 32.3 1.0
N B:ILE133 3.6 33.2 1.0
CG1 B:ILE133 3.9 53.7 1.0
CA B:LEU261 3.9 30.1 1.0
CB B:ILE133 4.0 47.4 1.0
C B:SER260 4.2 28.7 1.0
CD2 B:LEU261 4.2 28.7 1.0
CA B:SER260 4.2 29.9 1.0
N B:SER260 4.2 29.8 1.0
CG B:LEU261 4.3 27.5 1.0
CA B:ILE133 4.4 39.3 1.0
OG B:SER260 4.4 45.2 1.0
CA B:MET132 4.4 29.6 1.0
CD B:GLN153 4.4 34.7 1.0
C B:MET132 4.5 29.9 1.0
OE1 B:GLN153 4.6 42.4 1.0
CD1 B:LEU261 4.8 27.5 1.0
O B:PRO148 5.0 37.7 1.0
CB B:MET132 5.0 29.1 1.0
O B:SER131 5.0 25.3 1.0

Chlorine binding site 6 out of 13 in 6e7x

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Chlorine binding site 6 out of 13 in the Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-97


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 93-97 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl505

b:74.7
occ:1.00
N B:ASN74 3.1 47.7 1.0
CG B:MET73 3.5 45.6 1.0
N B:GLU75 3.6 37.2 1.0
C8 B:NAG501 3.6 89.8 1.0
CA B:ASN74 4.0 50.4 1.0
CA B:MET73 4.0 45.5 1.0
CB B:ASN74 4.0 63.6 1.0
C B:MET73 4.0 46.3 1.0
O B:HOH633 4.1 48.8 1.0
CG B:GLU75 4.2 36.8 1.0
C7 B:NAG501 4.2 95.0 1.0
CB B:GLU75 4.2 34.6 1.0
CB B:MET73 4.3 44.5 1.0
C B:ASN74 4.3 41.6 1.0
O7 B:NAG501 4.4 88.5 1.0
CA B:GLU75 4.5 33.8 1.0
SD B:MET73 4.5 42.9 1.0
CG B:ASN74 4.7 78.8 1.0
O B:GLU75 4.8 32.4 1.0
ND2 B:ASN74 4.9 80.2 1.0
CB B:SER80 5.0 29.4 1.0
N2 B:NAG501 5.0 91.2 1.0

Chlorine binding site 7 out of 13 in 6e7x

Go back to Chlorine Binding Sites List in 6e7x
Chlorine binding site 7 out of 13 in the Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-97


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 93-97 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl506

b:64.1
occ:1.00
O B:HOH650 3.0 43.3 1.0
OD2 B:ASP138 3.1 36.7 1.0
O B:HOH622 3.4 23.0 1.0
O B:HOH658 3.6 30.8 1.0
CD1 B:PHE114 3.6 23.9 1.0
CG B:ASP138 3.7 32.8 1.0
CA B:PHE114 3.9 23.0 1.0
CB B:ALA117 3.9 27.4 1.0
CB B:ASP138 4.0 30.8 1.0
NE2 B:GLN118 4.1 31.4 1.0
O B:PHE114 4.3 27.7 1.0
CE1 B:PHE114 4.3 25.2 1.0
CG B:PHE114 4.4 22.9 1.0
CB B:PHE114 4.4 23.6 1.0
C B:PHE114 4.6 25.0 1.0
OD1 B:ASP138 4.7 35.0 1.0
N B:PHE114 4.8 22.0 1.0
O B:ASP113 4.9 25.8 1.0
CG B:GLN118 4.9 30.0 1.0
CE2 A:TYR109 5.0 27.9 1.0

Chlorine binding site 8 out of 13 in 6e7x

Go back to Chlorine Binding Sites List in 6e7x
Chlorine binding site 8 out of 13 in the Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-97


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 93-97 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl504

b:76.6
occ:1.00
N C:CYS329 3.4 52.9 1.0
CD D:LYS79 3.6 58.9 1.0
NZ D:LYS79 3.7 68.3 1.0
O C:CYS79 3.7 53.7 1.0
CA C:GLY328 4.0 52.8 1.0
N C:VAL330 4.0 54.2 1.0
CG2 C:VAL330 4.0 58.3 1.0
C C:CYS79 4.1 51.6 1.0
C C:GLY328 4.2 50.6 1.0
CE D:LYS79 4.3 62.5 1.0
CB C:CYS329 4.3 54.1 1.0
CA C:CYS329 4.3 53.1 1.0
CA C:GLU80 4.4 54.4 1.0
CB C:CYS79 4.5 51.9 1.0
N C:GLU80 4.5 52.1 1.0
CB C:VAL330 4.6 58.6 1.0
CG C:GLU80 4.7 63.2 1.0
C C:CYS329 4.7 53.3 1.0
CB C:SER84 4.8 62.9 1.0
CA C:CYS79 4.9 51.0 1.0
CG D:LYS79 4.9 54.2 1.0
CA C:VAL330 4.9 56.4 1.0

Chlorine binding site 9 out of 13 in 6e7x

Go back to Chlorine Binding Sites List in 6e7x
Chlorine binding site 9 out of 13 in the Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-97


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 93-97 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl505

b:64.2
occ:1.00
N C:ARG124 3.4 35.9 1.0
CE1 C:HIS94 3.9 51.0 1.0
NE2 C:HIS94 4.1 55.4 1.0
CA C:THR123 4.1 39.3 1.0
ND1 C:HIS94 4.1 53.9 1.0
CG C:MET125 4.1 39.1 1.0
OH C:TYR144 4.2 41.6 1.0
N C:MET125 4.2 34.2 1.0
CB C:ARG124 4.2 35.6 1.0
CA C:ARG124 4.3 34.9 1.0
C C:THR123 4.3 39.7 1.0
O C:THR122 4.3 43.5 1.0
CG2 C:THR123 4.3 37.9 1.0
CG C:ARG124 4.3 36.3 1.0
CD2 C:HIS94 4.4 57.2 1.0
CG C:HIS94 4.4 56.9 1.0
CE2 C:TYR144 4.5 33.6 1.0
SD C:MET125 4.6 40.5 1.0
C C:ARG124 4.7 35.2 1.0
CZ C:TYR144 4.7 35.1 1.0
CB C:THR123 4.8 38.3 1.0

Chlorine binding site 10 out of 13 in 6e7x

Go back to Chlorine Binding Sites List in 6e7x
Chlorine binding site 10 out of 13 in the Heterodimer of the GLUN1B-GLUN2B Nmda Receptor Amino-Terminal Domains Bound to Allosteric Inhibitor 93-97


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 93-97 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl503

b:54.9
occ:1.00
CL1 D:T97503 0.0 54.9 1.0
C02 D:T97503 1.8 45.4 1.0
C01 D:T97503 2.7 51.6 1.0
C03 D:T97503 2.8 45.6 1.0
CL2 D:T97503 3.1 70.0 1.0
CG1 D:ILE111 4.0 37.4 1.0
C06 D:T97503 4.0 46.4 1.0
C04 D:T97503 4.0 61.3 1.0
CD2 D:PHE114 4.1 36.2 1.0
OG1 C:THR110 4.2 41.2 1.0
CB D:PRO78 4.4 45.1 1.0
CG2 D:ILE111 4.4 38.6 1.0
CD1 D:ILE82 4.4 40.0 1.0
CG D:PHE114 4.5 35.4 1.0
CA D:ILE111 4.5 36.0 1.0
CB D:ILE111 4.5 37.0 1.0
CE2 D:PHE114 4.5 37.8 1.0
C05 D:T97503 4.6 57.8 1.0
CB C:TYR109 4.7 34.4 1.0
CB D:PHE114 4.7 34.9 1.0

Reference:

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
Page generated: Sat Dec 12 12:55:00 2020

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