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

Protein crystallography data

The structure of The Pentameric Ligand-Gated Ion Channel Glic A237F in Complex with Cesium, PDB code: 4ila 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) 19.98 / 3.50
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 182.404, 133.232, 160.177, 90.00, 102.50, 90.00
R / Rfree (%) 19 / 20.8

Other elements in 4ila:

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

Caesium (Cs) 27 atoms

Chlorine Binding Sites:

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

Chlorine binding site 1 out of 5 in 4ila

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Chlorine binding site 1 out of 5 in the The Pentameric Ligand-Gated Ion Channel Glic A237F in Complex with Cesium


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 Cesium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl414

b:66.0
occ:1.00
N A:PHE78 3.3 72.6 1.0
N A:ARG85 3.4 79.5 1.0
NH1 A:ARG85 3.6 0.0 1.0
CD2 A:PHE78 3.6 77.9 1.0
CB A:PHE78 3.8 73.7 1.0
CA A:ALA84 3.9 79.4 1.0
CG2 A:VAL81 4.0 72.5 1.0
CG A:ARG85 4.0 78.5 1.0
CA A:PHE78 4.1 71.2 1.0
CA A:ARG77 4.1 71.6 1.0
CB A:ARG85 4.1 75.8 1.0
CG A:PHE78 4.2 75.5 1.0
C A:ARG77 4.2 76.9 1.0
C A:ALA84 4.2 83.0 1.0
O A:PHE78 4.2 69.7 1.0
CD A:ARG85 4.2 84.0 1.0
CB A:ARG77 4.4 70.3 1.0
CA A:ARG85 4.4 79.6 1.0
CB A:ALA84 4.4 80.5 1.0
CE2 A:PHE78 4.6 81.2 1.0
C A:PHE78 4.7 70.5 1.0
CZ A:ARG85 4.7 0.7 1.0
CG A:ARG77 4.8 78.8 1.0
NE A:ARG85 4.9 96.3 1.0

Chlorine binding site 2 out of 5 in 4ila

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Chlorine binding site 2 out of 5 in the The Pentameric Ligand-Gated Ion Channel Glic A237F in Complex with Cesium


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 Cesium within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl412

b:77.7
occ:1.00
N B:PHE78 3.3 71.1 1.0
NH1 B:ARG85 3.4 78.6 1.0
N B:ARG85 3.5 82.6 1.0
CD2 B:PHE78 3.6 75.3 1.0
CB B:PHE78 3.9 72.3 1.0
CA B:ARG77 4.0 71.4 1.0
CG B:ARG85 4.0 76.7 1.0
CA B:ALA84 4.0 84.7 1.0
C B:ARG77 4.1 75.5 1.0
CB B:ARG85 4.1 77.9 1.0
CA B:PHE78 4.1 70.7 1.0
CD B:ARG85 4.2 80.0 1.0
CG B:PHE78 4.2 73.8 1.0
CG2 B:VAL81 4.2 77.5 1.0
C B:ALA84 4.3 86.9 1.0
CB B:ARG77 4.3 68.7 1.0
O B:PHE78 4.4 75.0 1.0
CA B:ARG85 4.5 82.5 1.0
CB B:ALA84 4.5 85.8 1.0
CZ B:ARG85 4.5 94.5 1.0
CE2 B:PHE78 4.6 77.8 1.0
CG B:ARG77 4.6 77.6 1.0
NE B:ARG85 4.8 85.9 1.0
C B:PHE78 4.8 75.8 1.0
O B:ILE76 4.9 80.0 1.0

Chlorine binding site 3 out of 5 in 4ila

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Chlorine binding site 3 out of 5 in the The Pentameric Ligand-Gated Ion Channel Glic A237F in Complex with Cesium


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 Cesium within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl412

b:87.7
occ:1.00
N C:PHE78 3.3 74.0 1.0
N C:ARG85 3.4 92.0 1.0
NH1 C:ARG85 3.5 98.3 1.0
CD2 C:PHE78 3.6 77.0 1.0
CB C:PHE78 3.8 74.7 1.0
CA C:ALA84 4.0 92.0 1.0
CG C:ARG85 4.0 0.4 1.0
CG2 C:VAL81 4.1 81.2 1.0
CB C:ARG85 4.1 91.2 1.0
CA C:ARG77 4.1 72.3 1.0
CA C:PHE78 4.1 73.2 1.0
C C:ARG77 4.2 78.0 1.0
CG C:PHE78 4.2 76.0 1.0
CD C:ARG85 4.2 0.4 1.0
C C:ALA84 4.2 96.0 1.0
O C:PHE78 4.3 79.2 1.0
CA C:ARG85 4.4 91.2 1.0
CB C:ARG77 4.4 69.2 1.0
CB C:ALA84 4.5 93.2 1.0
CZ C:ARG85 4.6 0.5 1.0
CE2 C:PHE78 4.6 80.0 1.0
CG C:ARG77 4.7 79.1 1.0
C C:PHE78 4.8 78.1 1.0
NE C:ARG85 4.9 0.0 1.0

Chlorine binding site 4 out of 5 in 4ila

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Chlorine binding site 4 out of 5 in the The Pentameric Ligand-Gated Ion Channel Glic A237F in Complex with Cesium


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 Cesium within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl413

b:69.4
occ:1.00
N D:PHE78 3.2 66.5 1.0
NH1 D:ARG85 3.3 60.7 1.0
CD2 D:PHE78 3.5 69.5 1.0
N D:ARG85 3.5 85.2 1.0
CB D:PHE78 3.8 66.6 1.0
CA D:ARG77 3.9 68.0 1.0
CG D:ARG85 3.9 82.5 1.0
C D:ARG77 4.0 71.5 1.0
CA D:PHE78 4.0 65.1 1.0
CB D:ARG85 4.1 81.1 1.0
CG D:PHE78 4.1 67.7 1.0
CA D:ALA84 4.1 89.1 1.0
CD D:ARG85 4.1 78.1 1.0
CB D:ARG77 4.3 67.5 1.0
CG2 D:VAL81 4.3 75.0 1.0
C D:ALA84 4.3 91.2 1.0
O D:PHE78 4.3 68.1 1.0
CA D:ARG85 4.4 84.7 1.0
CZ D:ARG85 4.4 83.0 1.0
CB D:ALA84 4.5 90.3 1.0
CE2 D:PHE78 4.5 72.5 1.0
CG D:ARG77 4.7 77.2 1.0
C D:PHE78 4.7 67.3 1.0
NE D:ARG85 4.7 74.6 1.0
O D:ILE76 4.8 78.1 1.0

Chlorine binding site 5 out of 5 in 4ila

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


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 Cesium within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl411

b:90.9
occ:1.00
N E:PHE78 3.3 75.1 1.0
N E:ARG85 3.5 91.5 1.0
CD2 E:PHE78 3.6 81.6 1.0
NH1 E:ARG85 3.7 85.7 1.0
CB E:PHE78 3.8 77.6 1.0
CA E:ALA84 3.8 93.2 1.0
CG2 E:VAL81 4.0 74.5 1.0
CA E:PHE78 4.1 75.4 1.0
CA E:ARG77 4.1 72.3 1.0
CG E:ARG85 4.1 88.6 1.0
C E:ALA84 4.2 96.4 1.0
C E:ARG77 4.2 78.2 1.0
CB E:ARG85 4.2 87.4 1.0
CG E:PHE78 4.2 79.7 1.0
O E:PHE78 4.2 80.4 1.0
CB E:ALA84 4.3 94.4 1.0
CD E:ARG85 4.3 96.1 1.0
CB E:ARG77 4.3 70.9 1.0
CA E:ARG85 4.4 90.6 1.0
C E:PHE78 4.7 79.6 1.0
CE2 E:PHE78 4.7 84.4 1.0
CG E:ARG77 4.7 84.1 1.0
CZ E:ARG85 4.8 0.9 1.0
N E:ALA84 5.0 93.0 1.0
O E:ASN83 5.0 96.0 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: Sun Jul 21 16:50:14 2024

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