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Chlorine in PDB 4zzc: The Glic Pentameric Ligand-Gated Ion Channel Open Form Complexed to Xenon

Protein crystallography data

The structure of The Glic Pentameric Ligand-Gated Ion Channel Open Form Complexed to Xenon, PDB code: 4zzc was solved by L.Sauguet, Z.Fourati, T.Prange, M.Delarue, N.Colloc'h, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 25.00 / 3.10
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 180.000, 132.820, 159.150, 90.00, 101.88, 90.00
R / Rfree (%) 20.8 / 22.8

Other elements in 4zzc:

The structure of The Glic Pentameric Ligand-Gated Ion Channel Open Form Complexed to Xenon also contains other interesting chemical elements:

Xenon (Xe) 35 atoms
Sodium (Na) 6 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The Glic Pentameric Ligand-Gated Ion Channel Open Form Complexed to Xenon (pdb code 4zzc). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the The Glic Pentameric Ligand-Gated Ion Channel Open Form Complexed to Xenon, PDB code: 4zzc:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 4zzc

Go back to Chlorine Binding Sites List in 4zzc
Chlorine binding site 1 out of 5 in the The Glic Pentameric Ligand-Gated Ion Channel Open Form Complexed to Xenon


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Glic Pentameric Ligand-Gated Ion Channel Open Form Complexed to Xenon within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl404

b:82.7
occ:1.00
 N A:PHE78 3.2 75.2 1.0
NH1 A:ARG85 3.5 89.1 1.0
CD2 A:PHE78 3.6 85.2 1.0
N A:ARG85 3.8 99.4 1.0
CB A:PHE78 3.8 77.0 1.0
CG2 A:VAL81 3.8 81.0 1.0
CG A:ARG85 3.8 95.2 1.0
CA A:ARG77 4.0 74.0 1.0
CA A:PHE78 4.0 74.5 1.0
C A:ARG77 4.1 79.1 1.0
O A:PHE78 4.1 74.6 1.0
CG A:PHE78 4.1 80.8 1.0
CA A:ALA84 4.2 0.6 1.0
CB A:ARG85 4.3 94.4 1.0
CB A:ARG77 4.3 74.2 1.0
NH1 E:ARG105 4.5 0.4 1.0
C A:ALA84 4.6 0.4 1.0
C A:PHE78 4.6 74.2 1.0
CZ A:ARG85 4.6 95.7 1.0
CE2 A:PHE78 4.6 89.1 1.0
CD A:ARG85 4.6 94.4 1.0
CA A:ARG85 4.6 98.4 1.0
CG A:ARG77 4.7 84.4 1.0
CB A:ALA84 4.8 0.7 1.0
CB A:VAL81 5.0 80.2 1.0

Chlorine binding site 2 out of 5 in 4zzc

Go back to Chlorine Binding Sites List in 4zzc
Chlorine binding site 2 out of 5 in the The Glic Pentameric Ligand-Gated Ion Channel Open Form Complexed to Xenon


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Glic Pentameric Ligand-Gated Ion Channel Open Form Complexed to Xenon within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl404

b:93.8
occ:1.00
 N B:PHE78 3.0 76.0 1.0
NH1 B:ARG85 3.5 98.9 1.0
CD2 B:PHE78 3.5 85.3 1.0
CB B:PHE78 3.7 78.5 1.0
CA B:ARG77 3.8 74.4 1.0
CA B:PHE78 3.8 76.6 1.0
C B:ARG77 3.9 77.1 1.0
CG2 B:VAL81 3.9 81.0 1.0
O B:PHE78 4.0 80.9 1.0
CG B:ARG85 4.0 0.6 1.0
N B:ARG85 4.0 1.0 1.0
CG B:PHE78 4.0 81.6 1.0
CB B:ARG77 4.1 75.4 1.0
CB B:ARG85 4.4 0.7 1.0
C B:PHE78 4.4 80.3 1.0
CA B:ALA84 4.4 0.5 1.0
CE2 B:PHE78 4.6 89.3 1.0
CZ B:ARG85 4.6 0.1 1.0
NH1 A:ARG105 4.6 0.4 1.0
CG B:ARG77 4.7 89.5 1.0
CD B:ARG85 4.7 0.4 1.0
C B:ALA84 4.8 0.2 1.0
CA B:ARG85 4.8 0.4 1.0
O B:ILE76 5.0 81.5 1.0
CB B:ALA84 5.0 0.1 1.0

Chlorine binding site 3 out of 5 in 4zzc

Go back to Chlorine Binding Sites List in 4zzc
Chlorine binding site 3 out of 5 in the The Glic Pentameric Ligand-Gated Ion Channel Open Form Complexed to Xenon


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Glic Pentameric Ligand-Gated Ion Channel Open Form Complexed to Xenon within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl404

b:94.8
occ:1.00
 N C:PHE78 3.4 80.0 1.0
N C:ARG85 3.6 99.6 1.0
NH1 C:ARG85 3.7 0.7 1.0
CD2 C:PHE78 3.8 88.7 1.0
CG2 C:VAL81 3.8 79.5 1.0
CG C:ARG85 3.8 0.5 1.0
CB C:PHE78 4.0 81.3 1.0
CA C:ALA84 4.0 0.6 1.0
CA C:ARG77 4.2 76.8 1.0
O C:PHE78 4.2 85.4 1.0
CA C:PHE78 4.2 79.5 1.0
CB C:ARG85 4.2 94.9 1.0
C C:ARG77 4.3 83.0 1.0
NH1 B:ARG105 4.3 0.4 1.0
CG C:PHE78 4.3 84.8 1.0
CB C:ARG77 4.3 77.3 1.0
C C:ALA84 4.4 1.0 1.0
CB C:ALA84 4.5 0.0 1.0
CA C:ARG85 4.6 98.2 1.0
CD C:ARG85 4.7 1.0 1.0
C C:PHE78 4.7 82.7 1.0
CZ C:ARG85 4.7 0.6 1.0
CG C:ARG77 4.8 89.4 1.0
CE2 C:PHE78 4.8 91.9 1.0
O C:ASN83 4.9 0.4 1.0
CB C:VAL81 5.0 79.0 1.0

Chlorine binding site 4 out of 5 in 4zzc

Go back to Chlorine Binding Sites List in 4zzc
Chlorine binding site 4 out of 5 in the The Glic Pentameric Ligand-Gated Ion Channel Open Form Complexed to Xenon


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Glic Pentameric Ligand-Gated Ion Channel Open Form Complexed to Xenon within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl404

b:85.1
occ:1.00
 N D:PHE78 3.2 74.7 1.0
NH1 D:ARG85 3.5 96.6 1.0
CD2 D:PHE78 3.6 85.2 1.0
CB D:PHE78 3.8 77.3 1.0
N D:ARG85 3.8 98.2 1.0
CG D:ARG85 3.9 99.0 1.0
CG2 D:VAL81 3.9 82.1 1.0
CA D:ARG77 3.9 71.8 1.0
CA D:PHE78 4.0 74.8 1.0
C D:ARG77 4.0 76.4 1.0
O D:PHE78 4.1 74.6 1.0
CG D:PHE78 4.1 81.2 1.0
CB D:ARG77 4.2 71.1 1.0
CB D:ARG85 4.3 93.0 1.0
CA D:ALA84 4.3 0.6 1.0
C D:PHE78 4.5 75.7 1.0
C D:ALA84 4.6 0.1 1.0
CE2 D:PHE78 4.6 89.7 1.0
CA D:ARG85 4.7 96.8 1.0
CZ D:ARG85 4.7 0.9 1.0
CD D:ARG85 4.7 0.1 1.0
NH1 C:ARG105 4.7 0.3 1.0
CG D:ARG77 4.7 78.0 1.0
CB D:ALA84 4.8 0.3 1.0

Chlorine binding site 5 out of 5 in 4zzc

Go back to Chlorine Binding Sites List in 4zzc
Chlorine binding site 5 out of 5 in the The Glic Pentameric Ligand-Gated Ion Channel Open Form Complexed to Xenon


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of The Glic Pentameric Ligand-Gated Ion Channel Open Form Complexed to Xenon within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl404

b:99.7
occ:1.00
 N E:PHE78 3.2 83.9 1.0
CG2 E:VAL81 3.7 84.4 1.0
CD2 E:PHE78 3.8 90.7 1.0
CB E:PHE78 3.8 84.8 1.0
NH1 E:ARG85 3.8 0.1 1.0
N E:ARG85 3.9 0.4 1.0
O E:PHE78 3.9 86.1 1.0
CA E:PHE78 4.0 83.2 1.0
CA E:ARG77 4.0 80.7 1.0
C E:ARG77 4.1 86.6 1.0
CB E:ARG77 4.1 80.8 1.0
CG E:ARG85 4.1 0.6 1.0
CA E:ALA84 4.2 0.8 1.0
CG E:PHE78 4.2 87.5 1.0
C E:PHE78 4.4 85.3 1.0
NH1 D:ARG105 4.4 0.2 1.0
CB E:ARG85 4.5 0.9 1.0
C E:ALA84 4.6 0.4 1.0
CG E:ARG77 4.6 95.1 1.0
CB E:ALA84 4.7 0.6 1.0
CA E:ARG85 4.8 0.2 1.0
CE2 E:PHE78 4.9 93.8 1.0
CB E:VAL81 4.9 83.3 1.0
O E:ASN83 4.9 0.8 1.0
CZ E:ARG85 4.9 0.8 1.0
CD E:ARG85 5.0 0.4 1.0

Reference:

L.Sauguet, Z.Fourati, T.Prange, M.Delarue, N.Colloc'h. Structural Basis For Xenon Inhibition in A Cationic Pentameric Ligand-Gated Ion Channel. Plos One V. 11 49795 2016.
ISSN: ESSN 1932-6203
PubMed: 26910105
DOI: 10.1371/JOURNAL.PONE.0149795
Page generated: Fri Jul 26 04:54:09 2024

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