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Chlorine in PDB 5fjv: Crystal Structure of the Extracellular Domain of ALPHA2 Nicotinic Acetylcholine Receptor in Pentameric Assembly

Protein crystallography data

The structure of Crystal Structure of the Extracellular Domain of ALPHA2 Nicotinic Acetylcholine Receptor in Pentameric Assembly, PDB code: 5fjv was solved by P.Giastas, N.Kouvatsos, D.Chroni-Tzartou, S.J.Tzartos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.263 / 3.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 101.524, 116.559, 129.546, 90.00, 90.00, 90.00
R / Rfree (%) 22.37 / 30.79

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Extracellular Domain of ALPHA2 Nicotinic Acetylcholine Receptor in Pentameric Assembly (pdb code 5fjv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of the Extracellular Domain of ALPHA2 Nicotinic Acetylcholine Receptor in Pentameric Assembly, PDB code: 5fjv:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 5fjv

Go back to Chlorine Binding Sites List in 5fjv
Chlorine binding site 1 out of 5 in the Crystal Structure of the Extracellular Domain of ALPHA2 Nicotinic Acetylcholine Receptor in Pentameric Assembly


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Extracellular Domain of ALPHA2 Nicotinic Acetylcholine Receptor in Pentameric Assembly within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl300

b:0.5
occ:1.00
 CL A:EPJ300 0.0 0.5 1.0
C10 A:EPJ300 1.8 82.5 1.0
N2 A:EPJ300 2.7 84.4 1.0
C9 A:EPJ300 2.8 78.0 1.0
CG2 A:THR179 3.1 74.0 1.0
O B:HIS146 3.4 55.8 1.0
O B:LYS136 3.5 77.7 1.0
OG1 A:THR179 3.9 67.9 1.0
C11 A:EPJ300 4.0 84.8 1.0
N B:HIS138 4.0 76.4 1.0
CB A:THR179 4.1 70.1 1.0
C8 A:EPJ300 4.1 79.8 1.0
CB B:HIS138 4.1 83.8 1.0
C B:ALA137 4.3 77.4 1.0
C B:LYS136 4.3 71.6 1.0
CA B:ALA137 4.5 70.5 1.0
CA A:THR179 4.5 70.8 1.0
C7 A:EPJ300 4.5 85.0 1.0
CA B:HIS138 4.5 80.8 1.0
C B:HIS146 4.5 58.1 1.0
N B:VAL148 4.6 52.3 1.0
N B:ALA137 4.8 73.9 1.0
CA B:TRP147 4.9 57.4 1.0
NH1 B:ARG108 4.9 93.4 1.0
O B:ALA137 4.9 83.0 1.0
O A:THR179 5.0 80.2 1.0

Chlorine binding site 2 out of 5 in 5fjv

Go back to Chlorine Binding Sites List in 5fjv
Chlorine binding site 2 out of 5 in the Crystal Structure of the Extracellular Domain of ALPHA2 Nicotinic Acetylcholine Receptor in Pentameric Assembly


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Extracellular Domain of ALPHA2 Nicotinic Acetylcholine Receptor in Pentameric Assembly within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl300

b:0.3
occ:1.00
 CL B:EPJ300 0.0 0.3 1.0
C10 B:EPJ300 1.8 80.6 1.0
N2 B:EPJ300 2.7 82.4 1.0
C9 B:EPJ300 2.8 77.2 1.0
CG2 B:THR179 3.2 82.8 1.0
O C:LYS136 3.5 61.6 1.0
O C:HIS146 3.6 81.1 1.0
CB B:THR179 3.7 83.6 1.0
N C:HIS138 3.8 68.0 1.0
C11 B:EPJ300 4.0 80.2 1.0
C8 B:EPJ300 4.1 74.5 1.0
CB C:HIS138 4.1 69.5 1.0
CA B:THR179 4.2 82.7 1.0
C C:ALA137 4.2 55.0 1.0
CA C:ALA137 4.3 54.5 1.0
C C:LYS136 4.4 56.0 1.0
N C:VAL148 4.4 73.4 1.0
C7 B:EPJ300 4.5 79.4 1.0
CA C:HIS138 4.6 65.7 1.0
C C:HIS146 4.6 78.3 1.0
CG2 C:VAL148 4.7 60.8 1.0
O B:THR179 4.7 85.3 1.0
CB C:VAL148 4.8 60.4 1.0
N C:ALA137 4.8 53.6 1.0
CA C:TRP147 4.8 69.8 1.0
C B:THR179 5.0 84.3 1.0

Chlorine binding site 3 out of 5 in 5fjv

Go back to Chlorine Binding Sites List in 5fjv
Chlorine binding site 3 out of 5 in the Crystal Structure of the Extracellular Domain of ALPHA2 Nicotinic Acetylcholine Receptor in Pentameric Assembly


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the Extracellular Domain of ALPHA2 Nicotinic Acetylcholine Receptor in Pentameric Assembly within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl300

b:0.2
occ:1.00
 CL C:EPJ300 0.0 0.2 1.0
C10 C:EPJ300 1.8 93.5 1.0
C9 C:EPJ300 2.8 94.3 1.0
N2 C:EPJ300 2.8 90.3 1.0
O D:HIS146 3.1 54.8 1.0
O D:LYS136 3.3 68.5 1.0
N D:HIS138 3.4 56.9 1.0
CG2 C:THR179 3.6 64.3 1.0
CB D:HIS138 3.8 62.1 1.0
C D:ALA137 3.9 57.0 1.0
CA D:ALA137 3.9 53.1 1.0
C11 C:EPJ300 4.0 91.2 1.0
C8 C:EPJ300 4.0 95.4 1.0
CB C:THR179 4.1 68.0 1.0
C D:LYS136 4.2 63.2 1.0
CA D:HIS138 4.2 54.8 1.0
C D:HIS146 4.3 57.7 1.0
N D:ALA137 4.5 53.9 1.0
CA C:THR179 4.5 58.7 1.0
C7 C:EPJ300 4.6 98.7 1.0
N D:VAL148 4.6 61.7 1.0
CA D:TRP147 4.6 62.0 1.0
O D:ALA137 4.7 61.5 1.0
O C:THR179 4.8 60.1 1.0
CG2 D:VAL148 4.9 77.0 1.0
N D:TRP147 4.9 60.5 1.0
CD D:ARG108 4.9 77.7 1.0

Chlorine binding site 4 out of 5 in 5fjv

Go back to Chlorine Binding Sites List in 5fjv
Chlorine binding site 4 out of 5 in the Crystal Structure of the Extracellular Domain of ALPHA2 Nicotinic Acetylcholine Receptor in Pentameric Assembly


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of the Extracellular Domain of ALPHA2 Nicotinic Acetylcholine Receptor in Pentameric Assembly within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl300

b:96.8
occ:1.00
 CL D:EPJ300 0.0 96.8 1.0
C10 D:EPJ300 1.8 91.4 1.0
N2 D:EPJ300 2.7 94.7 1.0
C9 D:EPJ300 2.8 84.5 1.0
CG2 D:THR179 3.4 49.0 1.0
O E:LYS136 3.6 58.5 1.0
O E:HIS146 3.6 65.8 1.0
N E:HIS138 3.9 38.7 1.0
C8 D:EPJ300 4.0 87.0 1.0
CB D:THR179 4.0 51.9 1.0
C11 D:EPJ300 4.0 94.3 1.0
CB E:HIS138 4.1 40.0 1.0
CA E:ALA137 4.3 36.7 1.0
C E:ALA137 4.3 35.5 1.0
C E:LYS136 4.3 46.9 1.0
CA D:THR179 4.4 56.7 1.0
N E:VAL148 4.5 49.7 1.0
C7 D:EPJ300 4.5 96.8 1.0
CA E:HIS138 4.6 43.0 1.0
C E:HIS146 4.7 63.9 1.0
N E:ALA137 4.8 43.2 1.0
CA E:TRP147 4.9 64.7 1.0
O D:THR179 4.9 53.4 1.0
CG2 E:VAL148 4.9 26.6 1.0
CB E:VAL148 4.9 39.2 1.0

Chlorine binding site 5 out of 5 in 5fjv

Go back to Chlorine Binding Sites List in 5fjv
Chlorine binding site 5 out of 5 in the Crystal Structure of the Extracellular Domain of ALPHA2 Nicotinic Acetylcholine Receptor in Pentameric Assembly


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of the Extracellular Domain of ALPHA2 Nicotinic Acetylcholine Receptor in Pentameric Assembly within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl300

b:1.0
occ:1.00
 CL E:EPJ300 0.0 1.0 1.0
C10 E:EPJ300 1.8 90.2 1.0
C9 E:EPJ300 2.7 87.9 1.0
N2 E:EPJ300 2.8 88.4 1.0
CG2 E:THR179 3.4 56.1 1.0
O A:LYS136 3.5 74.5 1.0
O A:HIS146 3.6 83.7 1.0
N A:HIS138 3.8 53.7 1.0
CB A:HIS138 3.9 58.5 1.0
CB E:THR179 4.0 61.7 1.0
C11 E:EPJ300 4.0 83.1 1.0
C8 E:EPJ300 4.0 85.1 1.0
C A:ALA137 4.2 53.8 1.0
CA E:THR179 4.3 63.2 1.0
CA A:ALA137 4.3 54.0 1.0
C A:LYS136 4.3 69.3 1.0
N A:VAL148 4.4 70.3 1.0
CA A:HIS138 4.5 52.7 1.0
C A:HIS146 4.5 79.2 1.0
C7 E:EPJ300 4.6 81.3 1.0
CA A:TRP147 4.7 71.3 1.0
O E:THR179 4.7 66.8 1.0
N A:ALA137 4.7 63.1 1.0
CG A:HIS138 5.0 65.5 1.0
CG2 A:VAL148 5.0 63.9 1.0

Reference:

N.Kouvatsos, P.Giastas, D.Chroni-Tzartou, C.Poulopoulou, S.J.Tzartos. Crystal Structure of A Human Neuronal Nachr Extracellular Domain in Pentameric Assembly: Ligand-Bound ALPAH2 Homopentamer. Proc.Natl.Acad.Sci.Usa V. 113 9635 2016.
ISSN: ISSN 0027-8424
PubMed: 27493220
DOI: 10.1073/PNAS.1602619113
Page generated: Sat Dec 12 11:44:56 2020

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