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Chlorine in PDB 4zzb: The Glic Pentameric Ligand-Gated Ion Channel Locally-Closed Form Complexed to Xenon

Protein crystallography data

The structure of The Glic Pentameric Ligand-Gated Ion Channel Locally-Closed Form Complexed to Xenon, PDB code: 4zzb 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) 20.00 / 3.40
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 176.966, 130.528, 157.526, 90.00, 100.33, 90.00
R / Rfree (%) 21.6 / 22.3

Other elements in 4zzb:

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

Xenon (Xe) 21 atoms
Sodium (Na) 5 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The Glic Pentameric Ligand-Gated Ion Channel Locally-Closed Form Complexed to Xenon (pdb code 4zzb). 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 Locally-Closed Form Complexed to Xenon, PDB code: 4zzb:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 4zzb

Go back to Chlorine Binding Sites List in 4zzb
Chlorine binding site 1 out of 5 in the The Glic Pentameric Ligand-Gated Ion Channel Locally-Closed 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 Locally-Closed Form Complexed to Xenon within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl402

b:0.4
occ:1.00
N A:ARG85 3.3 0.0 1.0
N A:PHE78 3.5 0.4 1.0
NH1 A:ARG85 3.5 0.4 1.0
CA A:ALA84 3.7 0.6 1.0
CG A:ARG85 3.8 0.2 1.0
CB A:PHE78 3.9 0.8 1.0
CG2 A:VAL81 3.9 0.6 1.0
CD2 A:PHE78 4.0 0.5 1.0
C A:ALA84 4.0 0.3 1.0
CB A:ARG85 4.0 0.1 1.0
CG A:PHE78 4.1 1.0 1.0
CB A:ALA84 4.2 0.5 1.0
CD A:ARG85 4.2 0.7 1.0
CA A:ARG77 4.3 0.1 1.0
CA A:ARG85 4.3 0.2 1.0
CA A:PHE78 4.3 0.5 1.0
C A:ARG77 4.4 0.9 1.0
O A:PHE78 4.5 0.1 1.0
CZ A:ARG85 4.6 0.6 1.0
CB A:ARG77 4.6 1.0 1.0
CE2 A:PHE78 4.8 0.5 1.0
NE A:ARG85 4.8 0.4 1.0
O A:ASN83 4.8 0.4 1.0
N A:ALA84 4.9 0.9 1.0
C A:PHE78 4.9 0.2 1.0

Chlorine binding site 2 out of 5 in 4zzb

Go back to Chlorine Binding Sites List in 4zzb
Chlorine binding site 2 out of 5 in the The Glic Pentameric Ligand-Gated Ion Channel Locally-Closed 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 Locally-Closed Form Complexed to Xenon within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl401

b:0.8
occ:1.00
N B:ARG85 3.4 0.4 1.0
N B:PHE78 3.5 0.1 1.0
NH1 B:ARG85 3.5 0.3 1.0
CA B:ALA84 3.7 0.9 1.0
CG B:ARG85 3.9 0.6 1.0
CB B:PHE78 3.9 0.2 1.0
CD2 B:PHE78 4.0 0.2 1.0
CG2 B:VAL81 4.0 0.4 1.0
C B:ALA84 4.1 0.9 1.0
CB B:ALA84 4.1 0.4 1.0
CA B:ARG77 4.1 0.3 1.0
CG B:PHE78 4.2 0.2 1.0
CB B:ARG85 4.2 0.8 1.0
CA B:PHE78 4.3 0.3 1.0
C B:ARG77 4.3 0.2 1.0
CD B:ARG85 4.3 0.4 1.0
CA B:ARG85 4.4 0.9 1.0
O B:PHE78 4.5 0.6 1.0
CB B:ARG77 4.5 0.7 1.0
CZ B:ARG85 4.6 0.5 1.0
CE2 B:PHE78 4.8 0.3 1.0
N B:ALA84 4.8 0.9 1.0
O B:ASN83 4.9 0.2 1.0
C B:PHE78 4.9 0.1 1.0
NE B:ARG85 4.9 0.3 1.0

Chlorine binding site 3 out of 5 in 4zzb

Go back to Chlorine Binding Sites List in 4zzb
Chlorine binding site 3 out of 5 in the The Glic Pentameric Ligand-Gated Ion Channel Locally-Closed 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 Locally-Closed Form Complexed to Xenon within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl402

b:0.4
occ:1.00
N C:PHE78 3.4 0.3 1.0
N C:ARG85 3.4 0.5 1.0
NH1 C:ARG85 3.6 0.4 1.0
CA C:ALA84 3.7 0.6 1.0
CB C:PHE78 3.9 0.7 1.0
CG2 C:VAL81 3.9 0.3 1.0
CG C:ARG85 4.0 0.2 1.0
CD2 C:PHE78 4.0 1.0 1.0
C C:ALA84 4.1 0.7 1.0
CA C:ARG77 4.1 0.3 1.0
CB C:ALA84 4.1 0.5 1.0
CG C:PHE78 4.2 0.2 1.0
CA C:PHE78 4.2 0.7 1.0
C C:ARG77 4.2 0.0 1.0
CB C:ARG85 4.2 0.5 1.0
O C:PHE78 4.3 0.4 1.0
CD C:ARG85 4.4 0.6 1.0
CB C:ARG77 4.4 0.8 1.0
CA C:ARG85 4.5 0.8 1.0
CZ C:ARG85 4.7 0.1 1.0
C C:PHE78 4.8 0.5 1.0
N C:ALA84 4.9 0.7 1.0
O C:ASN83 4.9 0.8 1.0
CE2 C:PHE78 4.9 0.4 1.0
CG C:ARG77 5.0 0.3 1.0

Chlorine binding site 4 out of 5 in 4zzb

Go back to Chlorine Binding Sites List in 4zzb
Chlorine binding site 4 out of 5 in the The Glic Pentameric Ligand-Gated Ion Channel Locally-Closed 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 Locally-Closed Form Complexed to Xenon within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl401

b:0.1
occ:1.00
N D:PHE78 3.4 0.8 1.0
NH1 D:ARG85 3.6 0.2 1.0
N D:ARG85 3.6 0.7 1.0
CA D:ALA84 3.8 0.8 1.0
CA D:ARG77 3.9 0.1 1.0
CB D:PHE78 4.0 0.2 1.0
CG D:ARG85 4.1 0.6 1.0
CD2 D:PHE78 4.1 0.9 1.0
CB D:ALA84 4.1 0.8 1.0
C D:ARG77 4.1 0.3 1.0
CG2 D:VAL81 4.1 1.0 1.0
CB D:ARG77 4.2 0.0 1.0
CA D:PHE78 4.2 0.1 1.0
C D:ALA84 4.3 0.5 1.0
CG D:PHE78 4.3 0.1 1.0
O D:PHE78 4.4 0.7 1.0
CB D:ARG85 4.4 0.1 1.0
CD D:ARG85 4.5 0.1 1.0
CA D:ARG85 4.7 0.5 1.0
CZ D:ARG85 4.7 0.7 1.0
CG D:ARG77 4.7 0.3 1.0
C D:PHE78 4.8 0.5 1.0
N D:ALA84 5.0 1.0 1.0

Chlorine binding site 5 out of 5 in 4zzb

Go back to Chlorine Binding Sites List in 4zzb
Chlorine binding site 5 out of 5 in the The Glic Pentameric Ligand-Gated Ion Channel Locally-Closed 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 Locally-Closed Form Complexed to Xenon within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl401

b:0.9
occ:1.00
N E:ARG85 3.5 0.3 1.0
N E:PHE78 3.5 0.1 1.0
NH1 E:ARG85 3.5 0.4 1.0
CA E:ALA84 3.7 0.4 1.0
CG E:ARG85 3.9 0.3 1.0
CB E:ALA84 4.0 0.7 1.0
CA E:ARG77 4.0 0.8 1.0
CB E:PHE78 4.0 0.6 1.0
CD2 E:PHE78 4.1 0.1 1.0
C E:ALA84 4.1 0.6 1.0
CG2 E:VAL81 4.1 0.1 1.0
C E:ARG77 4.2 0.9 1.0
CB E:ARG85 4.3 0.8 1.0
CG E:PHE78 4.3 0.3 1.0
CA E:PHE78 4.3 0.4 1.0
CB E:ARG77 4.4 0.5 1.0
CD E:ARG85 4.4 0.2 1.0
O E:PHE78 4.5 1.0 1.0
CA E:ARG85 4.5 0.8 1.0
CZ E:ARG85 4.6 0.9 1.0
N E:ALA84 4.9 0.3 1.0
CG E:ARG77 4.9 0.4 1.0
C E:PHE78 4.9 0.1 1.0
NE E:ARG85 4.9 0.7 1.0
CE2 E:PHE78 5.0 0.9 1.0
O E:ASN83 5.0 0.6 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: Sat Dec 12 11:29:20 2020

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