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Chlorine in PDB 4ilb: The Pentameric Ligand-Gated Ion Channel Glic A237F in Complex with Rubidium

Protein crystallography data

The structure of The Pentameric Ligand-Gated Ion Channel Glic A237F in Complex with Rubidium, PDB code: 4ilb was solved by L.Sauguet, P.J.Corringer, M.Delarue, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 36.37 / 3.15
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 180.984, 132.412, 159.884, 90.00, 102.09, 90.00
R / Rfree (%) 20.5 / 22.6

Other elements in 4ilb:

The structure of The Pentameric Ligand-Gated Ion Channel Glic A237F in Complex with Rubidium also contains other interesting chemical elements:

Rubidium (Rb) 1 atom
Sodium (Na) 6 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The Pentameric Ligand-Gated Ion Channel Glic A237F in Complex with Rubidium (pdb code 4ilb). 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 Pentameric Ligand-Gated Ion Channel Glic A237F in Complex with Rubidium, PDB code: 4ilb:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 4ilb

Go back to Chlorine Binding Sites List in 4ilb
Chlorine binding site 1 out of 5 in the The Pentameric Ligand-Gated Ion Channel Glic A237F in Complex with Rubidium


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Pentameric Ligand-Gated Ion Channel Glic A237F in Complex with Rubidium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl406

b:50.6
occ:1.00
N A:PHE78 3.3 47.2 1.0
NH1 A:ARG85 3.5 45.5 1.0
N A:ARG85 3.5 50.5 1.0
CD2 A:PHE78 3.5 53.5 1.0
CB A:PHE78 3.8 48.4 1.0
CA A:ARG77 4.0 46.0 1.0
CG2 A:VAL81 4.0 52.2 1.0
CG A:ARG85 4.0 48.4 1.0
CA A:ALA84 4.0 51.7 1.0
CA A:PHE78 4.1 46.1 1.0
CB A:ARG85 4.1 46.5 1.0
CG A:PHE78 4.1 50.7 1.0
C A:ARG77 4.1 51.1 1.0
CD A:ARG85 4.2 53.4 1.0
O A:PHE78 4.2 47.4 1.0
C A:ALA84 4.3 57.0 1.0
CB A:ARG77 4.4 40.5 1.0
CA A:ARG85 4.4 49.1 1.0
CZ A:ARG85 4.6 64.8 1.0
CE2 A:PHE78 4.6 56.5 1.0
CB A:ALA84 4.6 52.4 1.0
C A:PHE78 4.7 46.6 1.0
CG A:ARG77 4.7 42.0 1.0
NE A:ARG85 4.9 58.2 1.0

Chlorine binding site 2 out of 5 in 4ilb

Go back to Chlorine Binding Sites List in 4ilb
Chlorine binding site 2 out of 5 in the The Pentameric Ligand-Gated Ion Channel Glic A237F in Complex with Rubidium


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Pentameric Ligand-Gated Ion Channel Glic A237F in Complex with Rubidium within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl407

b:44.2
occ:1.00
N B:PHE78 3.4 46.5 1.0
NH1 B:ARG85 3.5 54.2 1.0
N B:ARG85 3.6 59.4 1.0
CD2 B:PHE78 3.8 52.9 1.0
CA B:ALA84 4.0 60.0 1.0
CB B:PHE78 4.0 48.1 1.0
CA B:ARG77 4.0 48.1 1.0
CG B:ARG85 4.1 52.9 1.0
CG2 B:VAL81 4.1 45.4 1.0
CB B:ARG85 4.2 55.5 1.0
C B:ARG77 4.2 51.0 1.0
CA B:PHE78 4.2 46.4 1.0
C B:ALA84 4.3 64.2 1.0
CD B:ARG85 4.3 50.5 1.0
CB B:ARG77 4.3 44.6 1.0
O B:PHE78 4.3 51.7 1.0
CG B:PHE78 4.3 50.7 1.0
CB B:ALA84 4.4 60.5 1.0
CA B:ARG85 4.5 58.7 1.0
CG B:ARG77 4.6 52.7 1.0
CZ B:ARG85 4.6 61.9 1.0
C B:PHE78 4.8 51.5 1.0
CE2 B:PHE78 4.8 55.9 1.0
NE B:ARG85 4.9 50.2 1.0

Chlorine binding site 3 out of 5 in 4ilb

Go back to Chlorine Binding Sites List in 4ilb
Chlorine binding site 3 out of 5 in the The Pentameric Ligand-Gated Ion Channel Glic A237F in Complex with Rubidium


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Pentameric Ligand-Gated Ion Channel Glic A237F in Complex with Rubidium within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl406

b:51.7
occ:1.00
NH1 C:ARG85 3.3 51.9 1.0
N C:PHE78 3.4 49.8 1.0
CD2 C:PHE78 3.5 58.9 1.0
N C:ARG85 3.5 58.4 1.0
CB C:PHE78 3.8 52.5 1.0
CG C:ARG85 3.9 53.9 1.0
CB C:ARG85 4.0 53.9 1.0
CD C:ARG85 4.0 52.7 1.0
CA C:ARG77 4.1 48.3 1.0
CG C:PHE78 4.1 55.6 1.0
CA C:ALA84 4.1 58.3 1.0
CA C:PHE78 4.2 49.8 1.0
C C:ARG77 4.2 52.6 1.0
CG2 C:VAL81 4.2 50.1 1.0
C C:ALA84 4.3 62.8 1.0
CA C:ARG85 4.4 57.4 1.0
CZ C:ARG85 4.4 62.2 1.0
CB C:ARG77 4.4 45.4 1.0
O C:PHE78 4.5 53.6 1.0
CE2 C:PHE78 4.5 61.9 1.0
CB C:ALA84 4.6 59.1 1.0
NE C:ARG85 4.6 55.0 1.0
CG C:ARG77 4.8 54.7 1.0
C C:PHE78 4.8 52.8 1.0

Chlorine binding site 4 out of 5 in 4ilb

Go back to Chlorine Binding Sites List in 4ilb
Chlorine binding site 4 out of 5 in the The Pentameric Ligand-Gated Ion Channel Glic A237F in Complex with Rubidium


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Pentameric Ligand-Gated Ion Channel Glic A237F in Complex with Rubidium within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl406

b:39.8
occ:1.00
N D:PHE78 3.3 42.2 1.0
NH1 D:ARG85 3.3 38.8 1.0
CD2 D:PHE78 3.5 49.0 1.0
N D:ARG85 3.5 53.6 1.0
CB D:PHE78 3.8 44.2 1.0
CG D:ARG85 3.9 54.7 1.0
CA D:ARG77 4.0 38.7 1.0
CB D:ARG85 4.0 50.8 1.0
CD D:ARG85 4.0 58.7 1.0
C D:ARG77 4.1 44.6 1.0
CG D:PHE78 4.1 46.4 1.0
CA D:PHE78 4.1 42.2 1.0
CA D:ALA84 4.1 59.5 1.0
CG2 D:VAL81 4.3 47.6 1.0
C D:ALA84 4.3 60.6 1.0
CB D:ARG77 4.3 38.0 1.0
CA D:ARG85 4.4 52.3 1.0
O D:PHE78 4.4 49.7 1.0
CZ D:ARG85 4.4 66.8 1.0
CE2 D:PHE78 4.5 52.3 1.0
CB D:ALA84 4.6 60.4 1.0
NE D:ARG85 4.7 61.6 1.0
CG D:ARG77 4.8 45.0 1.0
C D:PHE78 4.8 48.3 1.0
O D:ILE76 4.9 48.6 1.0

Chlorine binding site 5 out of 5 in 4ilb

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Chlorine binding site 5 out of 5 in the The Pentameric Ligand-Gated Ion Channel Glic A237F in Complex with Rubidium


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of The Pentameric Ligand-Gated Ion Channel Glic A237F in Complex with Rubidium within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl406

b:52.4
occ:1.00
N E:PHE78 3.1 50.0 1.0
CD2 E:PHE78 3.4 59.8 1.0
NH1 E:ARG85 3.4 53.1 1.0
CB E:PHE78 3.6 53.5 1.0
N E:ARG85 3.7 58.8 1.0
CA E:PHE78 3.9 50.9 1.0
CA E:ARG77 3.9 45.3 1.0
CG E:PHE78 3.9 56.6 1.0
C E:ARG77 3.9 51.4 1.0
CG2 E:VAL81 4.1 46.4 1.0
CG E:ARG85 4.1 55.3 1.0
CB E:ARG85 4.1 56.2 1.0
CD E:ARG85 4.2 55.2 1.0
O E:PHE78 4.2 52.8 1.0
CA E:ALA84 4.2 60.7 1.0
CB E:ARG77 4.3 42.0 1.0
CE2 E:PHE78 4.4 62.8 1.0
C E:ALA84 4.5 63.7 1.0
C E:PHE78 4.5 54.0 1.0
CZ E:ARG85 4.5 63.6 1.0
CA E:ARG85 4.6 58.2 1.0
CG E:ARG77 4.7 51.5 1.0
CB E:ALA84 4.8 61.5 1.0
NE E:ARG85 4.8 56.9 1.0

Reference:

L.Sauguet, F.Poitevin, S.Murail, C.Van Renterghem, G.Moraga-Cid, L.Malherbe, A.W.Thompson, P.Koehl, P.J.Corringer, M.Baaden, M.Delarue. Structural Basis For Ion Permeation Mechanism in Pentameric Ligand-Gated Ion Channels. Embo J. V. 32 728 2013.
ISSN: ISSN 0261-4189
PubMed: 23403925
DOI: 10.1038/EMBOJ.2013.17
Page generated: Sat Dec 12 10:46:14 2020

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