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Xenon 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:

Chlorine (Cl) 5 atoms
Sodium (Na) 5 atoms

Xenon Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 21;

Binding sites:

The binding sites of Xenon 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 Xenon atom.
In total 21 binding sites of Xenon where determined in the The Glic Pentameric Ligand-Gated Ion Channel Locally-Closed Form Complexed to Xenon, PDB code: 4zzb:
Jump to Xenon binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Xenon binding site 1 out of 21 in 4zzb

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Xenon binding site 1 out of 21 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 Xenon with other atoms in the Xe 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:Xe405

b:0.2
occ:0.70
C12 A:LMT401 3.4 0.2 1.0
CG2 A:ILE233 4.1 99.4 1.0
CG2 E:ILE233 4.2 95.2 1.0
CG2 B:ILE233 4.3 94.0 1.0
CG2 D:ILE233 4.5 93.2 1.0
CD1 A:ILE233 4.5 0.3 1.0
CG2 C:ILE233 4.5 1.0 1.0
CD1 B:ILE233 4.6 98.6 1.0
CD1 E:ILE233 4.7 99.4 1.0
C11 A:LMT401 4.7 0.2 1.0
CD1 C:ILE233 4.9 0.5 1.0

Xenon binding site 2 out of 21 in 4zzb

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Xenon binding site 2 out of 21 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 Xenon with other atoms in the Xe 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
A:Xe406

b:0.2
occ:0.80
CB A:PHE207 3.4 0.3 1.0
O B:TYR263 3.4 0.7 1.0
CD1 B:LEU232 3.7 97.3 1.0
CD1 A:ILE211 3.8 0.1 1.0
CD2 B:LEU232 4.0 97.7 1.0
CD2 A:PHE207 4.1 0.9 1.0
CB B:TYR266 4.2 0.1 1.0
CG1 A:ILE208 4.2 0.6 1.0
N B:PHE267 4.2 0.5 1.0
N A:ILE208 4.2 0.7 1.0
C A:PHE207 4.3 0.9 1.0
CG A:PHE207 4.3 0.6 1.0
CD1 B:TYR263 4.3 0.7 1.0
C B:TYR263 4.3 0.8 1.0
CB B:PHE267 4.4 0.1 1.0
O A:PRO204 4.4 0.4 1.0
CA A:PHE207 4.5 0.6 1.0
CG B:LEU232 4.5 96.7 1.0
CA B:PHE267 4.6 0.1 1.0
CA B:TYR263 4.6 0.7 1.0
CB B:TYR263 4.7 0.3 1.0
C B:TYR266 4.7 0.3 1.0
O A:PHE207 4.8 0.8 1.0
CA A:ILE208 4.8 0.8 1.0

Xenon binding site 3 out of 21 in 4zzb

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Xenon binding site 3 out of 21 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 Xenon with other atoms in the Xe 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
A:Xe407

b:0.5
occ:0.80
CB E:PHE207 3.4 0.1 1.0
O A:TYR263 3.4 0.5 1.0
CD1 A:LEU232 3.8 0.0 1.0
CD1 E:ILE211 4.0 0.8 1.0
CD2 E:PHE207 4.0 0.0 1.0
CD2 A:LEU232 4.1 0.1 1.0
CG E:PHE207 4.2 0.7 1.0
N A:PHE267 4.2 0.4 1.0
CB A:TYR266 4.2 0.7 1.0
C A:TYR263 4.3 0.1 1.0
N E:ILE208 4.3 0.0 1.0
CD1 A:TYR263 4.3 0.2 1.0
CB A:PHE267 4.3 1.0 1.0
C E:PHE207 4.3 0.6 1.0
O E:PRO204 4.4 0.7 1.0
CG1 E:ILE208 4.4 0.5 1.0
CA E:PHE207 4.5 0.7 1.0
CA A:TYR263 4.5 0.3 1.0
CA A:PHE267 4.5 0.7 1.0
CB A:TYR263 4.6 0.6 1.0
CG A:LEU232 4.6 99.7 1.0
C A:TYR266 4.7 0.7 1.0
O E:PHE207 4.8 0.7 1.0
CA E:ILE208 4.9 0.3 1.0
CG A:TYR263 5.0 0.8 1.0

Xenon binding site 4 out of 21 in 4zzb

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Xenon binding site 4 out of 21 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 Xenon with other atoms in the Xe 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
A:Xe408

b:0.0
occ:0.70
OH A:TYR197 3.4 0.8 1.0
CG2 A:THR255 3.5 0.1 1.0
CG1 A:ILE259 4.0 0.3 1.0
CD1 A:ILE259 4.1 0.8 1.0
SD A:MET205 4.3 0.7 1.0
CG2 A:ILE258 4.3 0.7 1.0
CZ A:TYR197 4.4 0.3 1.0
O A:THR255 4.5 0.6 1.0
CG1 A:ILE202 4.5 0.3 1.0
CB A:ILE258 4.6 0.6 1.0
CG2 A:ILE201 4.6 0.6 1.0
CB A:THR255 4.6 0.4 1.0
CE A:MET205 4.7 0.1 1.0
CD1 A:ILE258 4.8 0.5 1.0
CA A:THR255 4.8 0.3 1.0
CE2 A:TYR197 4.9 0.6 1.0

Xenon binding site 5 out of 21 in 4zzb

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Xenon binding site 5 out of 21 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 Xenon with other atoms in the Xe 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
A:Xe409

b:72.2
occ:0.20
CD1 A:ILE128 3.2 0.9 1.0
CB A:LEU188 3.4 0.1 1.0
CG1 A:ILE128 3.4 0.6 1.0
CZ A:PHE37 3.4 0.3 1.0
CE1 A:PHE165 3.6 0.7 1.0
CE2 A:PHE37 3.7 0.8 1.0
O A:LEU126 4.0 0.6 1.0
CD2 A:LEU188 4.1 0.4 1.0
N A:LEU188 4.1 0.7 1.0
CD1 A:PHE165 4.2 0.0 1.0
CG A:LEU188 4.3 0.1 1.0
CB A:ILE128 4.3 0.3 1.0
CA A:LEU188 4.3 0.9 1.0
CB A:LEU126 4.4 0.1 1.0
C A:LEU126 4.4 0.5 1.0
CE1 A:PHE37 4.6 0.5 1.0
CZ A:PHE165 4.6 0.1 1.0
O A:TYR186 4.6 0.1 1.0
N A:ILE128 4.7 0.3 1.0
C A:HIS127 4.7 0.2 1.0
C A:GLN187 4.7 0.4 1.0
N A:HIS127 4.9 0.7 1.0
O A:HIS127 5.0 0.3 1.0
CD2 A:PHE37 5.0 0.7 1.0

Xenon binding site 6 out of 21 in 4zzb

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Xenon binding site 6 out of 21 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 Xenon with other atoms in the Xe binding site number 6 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:Xe410

b:64.2
occ:0.20
CD2 A:PHE299 3.9 0.4 1.0
O A:ALA298 3.9 0.8 1.0
CB A:VAL302 3.9 0.4 1.0
CA A:PHE299 4.0 0.9 1.0
CE2 A:PHE299 4.0 0.2 1.0
C A:ALA298 4.0 0.1 1.0
CG A:PHE299 4.1 0.6 1.0
CG2 A:VAL302 4.1 0.8 1.0
N A:PHE299 4.1 0.8 1.0
CG1 A:VAL302 4.1 0.6 1.0
CZ A:PHE299 4.3 0.4 1.0
CD1 A:PHE299 4.3 0.1 1.0
CE1 A:PHE299 4.4 0.9 1.0
CB A:ALA298 4.5 0.4 1.0
CG1 A:VAL268 4.7 0.7 1.0
CB A:PHE299 4.7 0.0 1.0
CE1 A:PHE265 4.8 0.7 1.0
CA A:ALA298 4.9 0.5 1.0
CZ A:PHE265 4.9 0.4 1.0
O A:PHE299 5.0 1.0 1.0

Xenon binding site 7 out of 21 in 4zzb

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Xenon binding site 7 out of 21 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 Xenon with other atoms in the Xe binding site number 7 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:Xe404

b:0.1
occ:0.80
CB B:PHE207 3.3 0.9 1.0
O C:TYR263 3.4 0.2 1.0
CD1 C:LEU232 3.8 99.1 1.0
CD1 B:ILE211 3.9 0.0 1.0
CD2 C:LEU232 4.0 0.8 1.0
CD2 B:PHE207 4.1 0.8 1.0
N B:ILE208 4.2 0.4 1.0
CG B:PHE207 4.2 0.7 1.0
C B:PHE207 4.2 0.5 1.0
CG1 B:ILE208 4.2 0.4 1.0
CB C:TYR266 4.2 0.5 1.0
N C:PHE267 4.3 0.9 1.0
CD1 C:TYR263 4.3 0.6 1.0
C C:TYR263 4.3 0.4 1.0
O B:PRO204 4.3 0.3 1.0
CB C:PHE267 4.4 0.1 1.0
CA B:PHE207 4.4 0.7 1.0
CA C:TYR263 4.6 0.7 1.0
CG C:LEU232 4.6 99.9 1.0
CB C:TYR263 4.6 0.1 1.0
CA C:PHE267 4.6 0.7 1.0
O B:PHE207 4.7 0.6 1.0
C C:TYR266 4.8 0.2 1.0
CA B:ILE208 4.8 0.9 1.0
CG C:TYR263 4.9 0.5 1.0

Xenon binding site 8 out of 21 in 4zzb

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Xenon binding site 8 out of 21 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 Xenon with other atoms in the Xe binding site number 8 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:Xe405

b:0.7
occ:0.70
CG2 B:THR255 3.5 0.4 1.0
CG1 B:ILE259 3.8 0.1 1.0
CD1 B:ILE259 4.0 0.1 1.0
CG2 B:ILE258 4.0 0.8 1.0
O B:THR255 4.3 1.0 1.0
CB B:ILE258 4.3 0.1 1.0
SD B:MET205 4.3 0.9 1.0
CE B:MET205 4.5 0.0 1.0
OH B:TYR197 4.6 93.2 0.5
CB B:THR255 4.6 0.5 1.0
CD1 B:ILE258 4.6 0.8 1.0
CG1 B:ILE202 4.6 0.9 1.0
CA B:THR255 4.7 0.6 1.0
CG2 B:ILE201 4.8 0.0 1.0
CE2 B:TYR197 4.8 96.6 0.5
C B:THR255 4.9 0.8 1.0
N B:ILE259 5.0 0.5 1.0

Xenon binding site 9 out of 21 in 4zzb

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Xenon binding site 9 out of 21 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 Xenon with other atoms in the Xe binding site number 9 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:Xe406

b:67.2
occ:0.20
CG1 B:ILE128 3.3 0.5 1.0
CB B:LEU188 3.4 0.3 1.0
CD1 B:ILE128 3.4 0.2 1.0
O B:LEU126 3.4 0.5 1.0
CZ B:PHE37 3.6 0.9 1.0
CE1 B:PHE165 3.7 0.1 1.0
N B:LEU188 3.8 0.3 1.0
C B:LEU126 3.9 0.0 1.0
O B:TYR186 4.0 0.4 1.0
CE2 B:PHE37 4.0 0.6 1.0
CB B:ILE128 4.1 0.9 1.0
CB B:LEU126 4.2 0.3 1.0
CA B:LEU188 4.2 0.2 1.0
N B:ILE128 4.2 0.6 1.0
C B:HIS127 4.2 0.4 1.0
CD1 B:PHE165 4.3 0.9 1.0
C B:GLN187 4.3 0.3 1.0
N B:HIS127 4.4 0.7 1.0
CD2 B:LEU188 4.4 0.5 1.0
CA B:HIS127 4.5 0.0 1.0
CG B:LEU188 4.5 0.5 1.0
C B:TYR186 4.6 0.8 1.0
O B:HIS127 4.6 0.4 1.0
CE1 B:PHE37 4.6 0.9 1.0
CA B:GLN187 4.6 0.6 1.0
CA B:LEU126 4.7 0.9 1.0
CA B:ILE128 4.7 0.2 1.0
CZ B:PHE165 4.8 0.1 1.0
N B:GLN187 4.8 0.6 1.0

Xenon binding site 10 out of 21 in 4zzb

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Xenon binding site 10 out of 21 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 Xenon with other atoms in the Xe binding site number 10 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:Xe407

b:72.7
occ:0.20
CB B:VAL302 3.8 0.1 1.0
O B:ALA298 3.8 0.3 1.0
CG2 B:VAL302 3.8 0.3 1.0
C B:ALA298 3.9 0.5 1.0
CG1 B:VAL302 4.0 0.5 1.0
CD2 B:PHE299 4.0 0.2 1.0
CA B:PHE299 4.1 0.0 1.0
N B:PHE299 4.1 0.1 1.0
CE2 B:PHE299 4.2 0.4 1.0
CG B:PHE299 4.2 0.2 1.0
CB B:ALA298 4.3 0.9 1.0
CZ B:PHE299 4.6 0.0 1.0
CD1 B:PHE299 4.6 0.3 1.0
CE1 B:PHE299 4.7 0.4 1.0
CA B:ALA298 4.8 0.1 1.0
CB B:PHE299 4.8 0.6 1.0
CG1 B:VAL268 4.9 0.4 1.0
CE1 B:PHE265 4.9 0.1 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: Wed Dec 16 02:40:11 2020

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