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Chlorine in PDB 3uub: The Glic Pentameric Ligand-Gated Ion Channel LOOP2-21' Mutant Reduced in Solution

Protein crystallography data

The structure of The Glic Pentameric Ligand-Gated Ion Channel LOOP2-21' Mutant Reduced in Solution, PDB code: 3uub was solved by L.Sauguet, H.Nury, P.J.Corringer, M.Delarue, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.36 / 2.90
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 182.130, 133.490, 319.690, 90.00, 102.64, 90.00
R / Rfree (%) 21.8 / 22.1

Other elements in 3uub:

The structure of The Glic Pentameric Ligand-Gated Ion Channel LOOP2-21' Mutant Reduced in Solution also contains other interesting chemical elements:

Sodium (Na) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The Glic Pentameric Ligand-Gated Ion Channel LOOP2-21' Mutant Reduced in Solution (pdb code 3uub). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 10 binding sites of Chlorine where determined in the The Glic Pentameric Ligand-Gated Ion Channel LOOP2-21' Mutant Reduced in Solution, PDB code: 3uub:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 10 in 3uub

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Chlorine binding site 1 out of 10 in the The Glic Pentameric Ligand-Gated Ion Channel LOOP2-21' Mutant Reduced in Solution


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 LOOP2-21' Mutant Reduced in Solution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl324

b:73.2
occ:1.00
 N A:PHE78 3.2 54.9 1.0
CA A:ARG77 3.9 54.3 1.0
CB A:ARG77 3.9 51.0 1.0
O A:PHE78 3.9 56.4 1.0
NH1 A:ARG85 3.9 85.6 1.0
CB A:PHE78 4.0 55.5 1.0
CD2 A:PHE78 4.0 59.7 1.0
C A:ARG77 4.1 58.9 1.0
N A:ARG85 4.1 81.0 1.0
CA A:ALA84 4.1 80.3 1.0
CA A:PHE78 4.1 53.8 1.0
CG2 A:VAL81 4.1 65.0 1.0
CB A:ALA84 4.2 81.2 1.0
CG A:ARG85 4.3 87.1 1.0
CG A:ARG77 4.5 61.5 1.0
C A:PHE78 4.5 57.0 1.0
CG A:PHE78 4.5 57.4 1.0
C A:ALA84 4.5 84.9 1.0
CB A:ARG85 4.7 78.0 1.0
CD A:ARG85 5.0 90.4 1.0

Chlorine binding site 2 out of 10 in 3uub

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Chlorine binding site 2 out of 10 in the The Glic Pentameric Ligand-Gated Ion Channel LOOP2-21' Mutant Reduced in Solution


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 LOOP2-21' Mutant Reduced in Solution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl323

b:81.5
occ:1.00
 N B:PHE78 3.2 56.3 1.0
NH1 B:ARG85 3.4 88.7 1.0
CD2 B:PHE78 3.7 63.1 1.0
N B:ARG85 3.9 83.6 1.0
CB B:PHE78 3.9 58.1 1.0
CA B:ARG77 3.9 53.4 1.0
CG B:ARG85 4.0 87.7 1.0
C B:ARG77 4.0 56.8 1.0
CA B:PHE78 4.1 56.5 1.0
CB B:ARG77 4.1 51.1 1.0
CB B:ARG85 4.2 80.5 1.0
O B:PHE78 4.2 61.8 1.0
CG B:PHE78 4.2 60.3 1.0
CG2 B:VAL81 4.2 64.8 1.0
CA B:ALA84 4.4 85.1 1.0
CD B:ARG85 4.5 91.5 1.0
C B:ALA84 4.6 88.4 1.0
CZ B:ARG85 4.6 0.3 1.0
CA B:ARG85 4.6 82.9 1.0
C B:PHE78 4.6 61.2 1.0
CE2 B:PHE78 4.7 66.0 1.0
CB B:ALA84 4.7 86.2 1.0
CG B:ARG77 4.7 57.7 1.0
NE B:ARG85 5.0 94.5 1.0

Chlorine binding site 3 out of 10 in 3uub

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Chlorine binding site 3 out of 10 in the The Glic Pentameric Ligand-Gated Ion Channel LOOP2-21' Mutant Reduced in Solution


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 LOOP2-21' Mutant Reduced in Solution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl321

b:89.0
occ:1.00
 N C:PHE78 3.2 55.5 1.0
NH1 C:ARG85 3.4 87.5 1.0
CD2 C:PHE78 3.4 61.4 1.0
CB C:PHE78 3.7 56.7 1.0
CA C:ARG77 3.9 54.6 1.0
CG C:ARG85 3.9 91.1 1.0
CA C:PHE78 4.0 55.1 1.0
CG C:PHE78 4.0 58.6 1.0
C C:ARG77 4.0 57.8 1.0
CG2 C:VAL81 4.1 61.7 1.0
N C:ARG85 4.2 84.8 1.0
O C:PHE78 4.2 61.1 1.0
CB C:ARG77 4.2 53.6 1.0
CD C:ARG85 4.4 94.5 1.0
CB C:ARG85 4.4 82.5 1.0
CE2 C:PHE78 4.5 64.5 1.0
CZ C:ARG85 4.5 1.0 1.0
C C:PHE78 4.6 59.8 1.0
CA C:ALA84 4.7 84.4 1.0
CG C:ARG77 4.8 63.0 1.0
NE C:ARG85 4.9 97.1 1.0
CA C:ARG85 4.9 84.4 1.0
C C:ALA84 5.0 87.9 1.0

Chlorine binding site 4 out of 10 in 3uub

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Chlorine binding site 4 out of 10 in the The Glic Pentameric Ligand-Gated Ion Channel LOOP2-21' Mutant Reduced in Solution


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 LOOP2-21' Mutant Reduced in Solution within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl322

b:74.2
occ:1.00
 N D:PHE78 3.2 52.1 1.0
CD2 D:PHE78 3.7 57.8 1.0
CB D:PHE78 3.8 53.9 1.0
NH1 D:ARG85 3.8 86.8 1.0
CG2 D:VAL81 3.9 62.3 1.0
O D:PHE78 3.9 57.0 1.0
CA D:PHE78 4.0 51.9 1.0
N D:ARG85 4.0 81.0 1.0
CA D:ARG77 4.1 53.1 1.0
CG D:ARG85 4.1 84.5 1.0
C D:ARG77 4.1 55.5 1.0
CB D:ARG77 4.1 53.2 1.0
CA D:ALA84 4.2 80.0 1.0
CG D:PHE78 4.2 55.6 1.0
CB D:ALA84 4.2 80.9 1.0
C D:PHE78 4.5 56.4 1.0
CB D:ARG85 4.5 77.6 1.0
C D:ALA84 4.6 84.9 1.0
CD D:ARG85 4.7 91.4 1.0
CG D:ARG77 4.8 61.7 1.0
CE2 D:PHE78 4.8 61.1 1.0
CA D:ARG85 4.9 80.6 1.0
CZ D:ARG85 4.9 0.3 1.0

Chlorine binding site 5 out of 10 in 3uub

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Chlorine binding site 5 out of 10 in the The Glic Pentameric Ligand-Gated Ion Channel LOOP2-21' Mutant Reduced in Solution


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 LOOP2-21' Mutant Reduced in Solution within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl322

b:92.7
occ:1.00
 N E:PHE78 3.1 55.4 1.0
O E:PHE78 3.5 62.5 1.0
CB E:PHE78 3.7 57.4 1.0
CG2 E:VAL81 3.7 63.5 1.0
CA E:PHE78 3.9 55.6 1.0
CB E:ARG77 4.0 53.9 1.0
CA E:ARG77 4.0 54.9 1.0
C E:ARG77 4.1 57.6 1.0
CD2 E:PHE78 4.1 62.2 1.0
CA E:ALA84 4.1 87.8 1.0
CB E:ALA84 4.1 88.7 1.0
C E:PHE78 4.1 61.9 1.0
NH1 E:ARG85 4.3 90.4 1.0
N E:ARG85 4.4 89.6 1.0
CG E:PHE78 4.4 59.5 1.0
CG E:ARG77 4.7 63.4 1.0
C E:ALA84 4.8 93.0 1.0
CG E:ARG85 4.8 92.4 1.0

Chlorine binding site 6 out of 10 in 3uub

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Chlorine binding site 6 out of 10 in the The Glic Pentameric Ligand-Gated Ion Channel LOOP2-21' Mutant Reduced in Solution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of The Glic Pentameric Ligand-Gated Ion Channel LOOP2-21' Mutant Reduced in Solution within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl323

b:71.5
occ:1.00
 N F:PHE78 3.3 49.3 1.0
NH1 F:ARG85 3.4 86.5 1.0
CD2 F:PHE78 3.6 56.2 1.0
CB F:PHE78 3.9 51.9 1.0
CG F:ARG85 3.9 87.9 1.0
CA F:ARG77 4.0 49.8 1.0
CA F:PHE78 4.1 49.8 1.0
C F:ARG77 4.1 51.4 1.0
N F:ARG85 4.2 83.9 1.0
CG F:PHE78 4.2 54.0 1.0
CB F:ARG77 4.2 49.7 1.0
CG2 F:VAL81 4.2 56.1 1.0
O F:PHE78 4.2 56.4 1.0
CD F:ARG85 4.4 93.0 1.0
CA F:ALA84 4.4 82.2 1.0
CB F:ARG85 4.4 81.0 1.0
CZ F:ARG85 4.5 0.3 1.0
CB F:ALA84 4.5 83.1 1.0
CE2 F:PHE78 4.6 59.2 1.0
C F:PHE78 4.7 55.5 1.0
C F:ALA84 4.8 87.1 1.0
CG F:ARG77 4.8 59.3 1.0
NE F:ARG85 4.9 96.3 1.0
CA F:ARG85 4.9 83.4 1.0

Chlorine binding site 7 out of 10 in 3uub

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Chlorine binding site 7 out of 10 in the The Glic Pentameric Ligand-Gated Ion Channel LOOP2-21' Mutant Reduced in Solution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of The Glic Pentameric Ligand-Gated Ion Channel LOOP2-21' Mutant Reduced in Solution within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl322

b:79.5
occ:1.00
 N G:PHE78 3.3 49.8 1.0
NH1 G:ARG85 3.5 86.6 1.0
CD2 G:PHE78 3.5 53.8 1.0
CB G:PHE78 3.8 50.9 1.0
CG G:ARG85 4.0 91.0 1.0
CA G:ARG77 4.0 51.0 0.5
CA G:ARG77 4.1 51.0 0.5
CA G:PHE78 4.1 49.7 1.0
CG2 G:VAL81 4.1 58.1 1.0
CG G:PHE78 4.1 52.0 1.0
C G:ARG77 4.1 52.9 0.5
C G:ARG77 4.1 53.0 0.5
N G:ARG85 4.2 84.7 1.0
O G:PHE78 4.2 56.2 1.0
CB G:ARG77 4.3 50.4 0.5
CB G:ARG77 4.4 50.4 0.5
CD G:ARG85 4.5 96.2 1.0
CB G:ARG85 4.5 82.4 1.0
CD G:ARG77 4.5 66.0 0.5
CA G:ALA84 4.5 82.5 1.0
CE2 G:PHE78 4.6 56.4 1.0
CZ G:ARG85 4.6 0.6 1.0
C G:PHE78 4.6 55.1 1.0
CB G:ALA84 4.7 83.4 1.0
C G:ALA84 4.8 88.0 1.0
CA G:ARG85 4.9 84.5 1.0
NE G:ARG85 5.0 96.7 1.0
CG G:ARG77 5.0 57.8 0.5
CG G:ARG77 5.0 58.0 0.5

Chlorine binding site 8 out of 10 in 3uub

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Chlorine binding site 8 out of 10 in the The Glic Pentameric Ligand-Gated Ion Channel LOOP2-21' Mutant Reduced in Solution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of The Glic Pentameric Ligand-Gated Ion Channel LOOP2-21' Mutant Reduced in Solution within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl324

b:76.8
occ:1.00
 NH1 H:ARG85 3.4 79.5 1.0
N H:PHE78 3.4 56.0 1.0
CD2 H:PHE78 3.5 59.5 1.0
CG H:ARG85 3.7 83.1 1.0
N H:ARG85 3.8 82.7 1.0
CB H:PHE78 3.9 56.5 1.0
CA H:ARG77 4.1 57.3 1.0
CB H:ARG85 4.1 79.3 1.0
CG H:PHE78 4.2 57.5 1.0
CG2 H:VAL81 4.2 64.9 1.0
CD H:ARG85 4.2 83.1 1.0
CA H:ALA84 4.2 80.9 1.0
CA H:PHE78 4.2 55.4 1.0
C H:ARG77 4.3 59.4 1.0
CB H:ARG77 4.3 56.7 1.0
O H:PHE78 4.4 62.0 1.0
CZ H:ARG85 4.4 97.7 1.0
CB H:ALA84 4.5 81.8 1.0
C H:ALA84 4.5 86.2 1.0
CE2 H:PHE78 4.5 61.8 1.0
CA H:ARG85 4.6 82.1 1.0
NE H:ARG85 4.7 87.9 1.0
C H:PHE78 4.8 61.2 1.0
CG H:ARG77 4.9 68.5 1.0

Chlorine binding site 9 out of 10 in 3uub

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Chlorine binding site 9 out of 10 in the The Glic Pentameric Ligand-Gated Ion Channel LOOP2-21' Mutant Reduced in Solution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of The Glic Pentameric Ligand-Gated Ion Channel LOOP2-21' Mutant Reduced in Solution within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Cl321

b:69.4
occ:1.00
 N I:PHE78 3.3 52.8 1.0
NH1 I:ARG85 3.5 71.5 1.0
CD2 I:PHE78 3.5 59.7 1.0
N I:ARG85 3.7 75.0 1.0
CG I:ARG85 3.8 76.9 1.0
CB I:PHE78 3.8 54.4 1.0
CA I:ARG77 4.0 50.5 1.0
CB I:ARG85 4.1 71.3 1.0
CA I:PHE78 4.1 52.4 1.0
CG2 I:VAL81 4.1 56.8 1.0
CG I:PHE78 4.1 56.8 1.0
C I:ARG77 4.2 55.1 1.0
CB I:ARG77 4.3 47.0 1.0
CA I:ALA84 4.3 74.9 1.0
O I:PHE78 4.3 58.0 1.0
CD I:ARG85 4.4 78.1 1.0
C I:ALA84 4.5 79.9 1.0
CA I:ARG85 4.5 74.4 1.0
CE2 I:PHE78 4.5 63.1 1.0
CZ I:ARG85 4.6 88.0 1.0
CB I:ALA84 4.7 75.8 1.0
C I:PHE78 4.7 57.3 1.0
CG I:ARG77 4.9 55.9 1.0
NE I:ARG85 4.9 77.4 1.0

Chlorine binding site 10 out of 10 in 3uub

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Chlorine binding site 10 out of 10 in the The Glic Pentameric Ligand-Gated Ion Channel LOOP2-21' Mutant Reduced in Solution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of The Glic Pentameric Ligand-Gated Ion Channel LOOP2-21' Mutant Reduced in Solution within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Cl322

b:75.6
occ:1.00
 N J:PHE78 3.3 56.6 1.0
NH1 J:ARG85 3.4 82.2 1.0
CD2 J:PHE78 3.5 62.6 1.0
CB J:PHE78 3.8 58.3 1.0
CG J:ARG85 3.8 90.3 1.0
CA J:ARG77 3.9 56.3 1.0
N J:ARG85 4.0 86.6 1.0
CA J:PHE78 4.1 56.5 1.0
C J:ARG77 4.1 59.0 1.0
CG J:PHE78 4.1 60.1 1.0
CG2 J:VAL81 4.1 65.1 1.0
CB J:ARG77 4.2 55.3 1.0
O J:PHE78 4.2 62.1 1.0
CB J:ARG85 4.3 83.6 1.0
CD J:ARG85 4.4 89.3 1.0
CE2 J:PHE78 4.5 65.6 1.0
CA J:ALA84 4.5 86.5 1.0
CZ J:ARG85 4.5 99.2 1.0
C J:PHE78 4.7 61.4 1.0
CG J:ARG77 4.7 63.9 1.0
C J:ALA84 4.8 90.8 1.0
CA J:ARG85 4.8 86.0 1.0
CB J:ALA84 4.8 87.6 1.0
NE J:ARG85 4.9 87.7 1.0

Reference:

M.S.Prevost, L.Sauguet, H.Nury, C.Van Renterghem, C.Huon, F.Poitevin, M.Baaden, M.Delarue, P.J.Corringer. A Locally Closed Conformation of A Bacterial Pentameric Proton-Gated Ion Channel. Nat.Struct.Mol.Biol. V. 19 642 2012.
ISSN: ISSN 1545-9993
PubMed: 22580559
DOI: 10.1038/NSMB.2307
Page generated: Sun Jul 21 06:30:37 2024

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