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Chlorine in PDB 4a97: X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Zopiclone

Protein crystallography data

The structure of X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Zopiclone, PDB code: 4a97 was solved by R.Spurny, M.Brams, C.Ulens, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.468 / 3.34
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 105.400, 266.830, 110.760, 90.00, 109.20, 90.00
R / Rfree (%) 20.53 / 25.87

Chlorine Binding Sites:

The binding sites of Chlorine atom in the X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Zopiclone (pdb code 4a97). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 10 binding sites of Chlorine where determined in the X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Zopiclone, PDB code: 4a97:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 10 in 4a97

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Chlorine binding site 1 out of 10 in the X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Zopiclone


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Zopiclone within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1318

b:0.8
occ:1.00
 CL A:ZPC1318 0.0 0.8 1.0
C24 A:ZPC1318 1.7 91.4 1.0
C23 A:ZPC1318 2.6 90.3 1.0
C26 A:ZPC1318 2.8 80.5 1.0
NH2 E:ARG91 3.3 0.4 1.0
CD1 E:ILE101 3.7 0.6 1.0
N22 A:ZPC1318 3.9 88.7 1.0
CG1 A:VAL181 4.0 0.4 1.0
CG2 E:ILE101 4.1 0.1 1.0
C27 A:ZPC1318 4.1 73.2 1.0
SD E:MET93 4.1 0.7 1.0
CB A:VAL181 4.4 0.3 1.0
CG2 A:VAL181 4.4 0.9 1.0
C21 A:ZPC1318 4.5 80.1 1.0
CZ E:ARG91 4.6 0.2 1.0
CG1 E:ILE101 4.8 0.0 1.0
CG1 E:VAL40 4.8 89.9 1.0
CB E:ILE101 4.8 0.7 1.0

Chlorine binding site 2 out of 10 in 4a97

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Chlorine binding site 2 out of 10 in the X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Zopiclone


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Zopiclone within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1318

b:0.1
occ:1.00
 CL B:ZPC1318 0.0 0.1 1.0
C24 B:ZPC1318 1.7 0.7 1.0
C23 B:ZPC1318 2.6 76.3 1.0
C26 B:ZPC1318 2.8 0.0 1.0
CD1 A:ILE101 3.5 0.7 1.0
CG1 B:VAL181 3.7 0.7 1.0
N22 B:ZPC1318 3.9 86.7 1.0
NH2 A:ARG91 4.0 0.8 1.0
CB B:VAL181 4.0 0.8 1.0
CG2 B:VAL181 4.0 0.2 1.0
C27 B:ZPC1318 4.1 80.6 1.0
CG2 A:ILE101 4.1 84.9 1.0
SD A:MET93 4.5 0.4 1.0
C21 B:ZPC1318 4.5 70.8 1.0
CG1 A:ILE101 4.6 0.8 1.0
O B:LEU178 4.8 0.8 1.0
CG1 A:VAL40 4.8 75.0 1.0
CB A:ILE101 4.9 96.1 1.0

Chlorine binding site 3 out of 10 in 4a97

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Chlorine binding site 3 out of 10 in the X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Zopiclone


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Zopiclone within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1318

b:0.1
occ:1.00
 CL C:ZPC1318 0.0 0.1 1.0
C24 C:ZPC1318 1.7 69.3 1.0
C23 C:ZPC1318 2.7 67.9 1.0
C26 C:ZPC1318 2.8 56.1 1.0
CG1 C:VAL181 3.7 0.2 1.0
CD1 B:ILE101 3.8 92.7 1.0
NH2 B:ARG91 3.9 0.5 1.0
N22 C:ZPC1318 4.0 88.8 1.0
CB C:VAL181 4.0 0.2 1.0
CG2 B:ILE101 4.1 87.8 1.0
C27 C:ZPC1318 4.1 34.5 1.0
CG2 C:VAL181 4.2 0.9 1.0
SD B:MET93 4.3 0.4 1.0
C21 C:ZPC1318 4.6 58.9 1.0
CG1 B:ILE101 4.8 91.0 1.0
CB B:ILE101 4.9 0.3 1.0
CG1 B:VAL40 4.9 83.9 1.0
O C:LEU178 5.0 0.2 1.0

Chlorine binding site 4 out of 10 in 4a97

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Chlorine binding site 4 out of 10 in the X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Zopiclone


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Zopiclone within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1318

b:0.7
occ:1.00
 CL D:ZPC1318 0.0 0.7 1.0
C24 D:ZPC1318 1.7 0.8 1.0
C23 D:ZPC1318 2.7 79.6 1.0
C26 D:ZPC1318 2.8 0.2 1.0
CD1 C:ILE101 3.3 97.8 1.0
CG1 D:VAL181 3.4 0.6 1.0
CG2 D:VAL181 3.6 0.0 1.0
CG2 C:ILE101 3.7 80.7 1.0
CB D:VAL181 3.8 0.4 1.0
SD C:MET93 3.9 0.2 1.0
N22 D:ZPC1318 4.0 79.3 1.0
NH2 C:ARG91 4.0 0.6 1.0
C27 D:ZPC1318 4.1 0.6 1.0
CG1 C:ILE101 4.3 96.2 1.0
CB C:ILE101 4.5 81.8 1.0
C21 D:ZPC1318 4.6 74.5 1.0
CG1 C:VAL40 4.6 85.2 1.0
CE C:MET93 4.7 1.0 1.0

Chlorine binding site 5 out of 10 in 4a97

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Chlorine binding site 5 out of 10 in the X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Zopiclone


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Zopiclone within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl1318

b:0.3
occ:1.00
 CL E:ZPC1318 0.0 0.3 1.0
C24 E:ZPC1318 1.7 71.1 1.0
C23 E:ZPC1318 2.6 0.8 1.0
C26 E:ZPC1318 2.8 58.6 1.0
CG1 E:VAL181 3.3 0.0 1.0
SD D:MET93 3.4 0.1 1.0
CD1 D:ILE101 3.6 86.6 1.0
NH2 D:ARG91 3.8 1.0 1.0
N22 E:ZPC1318 3.9 0.6 1.0
CB E:VAL181 3.9 0.4 1.0
C27 E:ZPC1318 4.1 74.5 1.0
CE D:MET93 4.1 0.4 1.0
CG2 E:VAL181 4.2 0.0 1.0
CG2 D:ILE101 4.2 82.9 1.0
C21 E:ZPC1318 4.5 87.7 1.0
CG1 D:ILE101 4.7 84.9 1.0
CB D:ILE101 4.8 83.6 1.0

Chlorine binding site 6 out of 10 in 4a97

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Chlorine binding site 6 out of 10 in the X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Zopiclone


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Zopiclone within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl1318

b:0.1
occ:1.00
 CL F:ZPC1318 0.0 0.1 1.0
C24 F:ZPC1318 1.7 78.8 1.0
C23 F:ZPC1318 2.6 71.8 1.0
C26 F:ZPC1318 2.8 92.0 1.0
NH2 J:ARG91 3.2 0.7 1.0
CD1 J:ILE101 3.5 89.1 1.0
SD J:MET93 3.8 0.6 1.0
N22 F:ZPC1318 3.9 64.7 1.0
CG2 J:ILE101 3.9 84.4 1.0
C27 F:ZPC1318 4.1 71.3 1.0
CG1 F:VAL181 4.1 0.2 1.0
CG1 J:VAL40 4.4 83.4 1.0
CZ J:ARG91 4.4 0.4 1.0
CE J:MET93 4.4 0.3 1.0
C21 F:ZPC1318 4.6 33.1 1.0
CG1 J:ILE101 4.6 90.5 1.0
CB F:VAL181 4.6 0.3 1.0
CB J:ILE101 4.7 85.1 1.0
CG2 F:VAL181 4.7 0.0 1.0

Chlorine binding site 7 out of 10 in 4a97

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Chlorine binding site 7 out of 10 in the X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Zopiclone


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Zopiclone within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl1318

b:0.3
occ:1.00
 CL G:ZPC1318 0.0 0.3 1.0
C24 G:ZPC1318 1.7 98.8 1.0
C23 G:ZPC1318 2.6 90.6 1.0
C26 G:ZPC1318 2.9 95.4 1.0
NH2 F:ARG91 3.1 0.6 1.0
SD F:MET93 3.7 0.2 1.0
CD1 F:ILE101 3.8 98.6 1.0
N22 G:ZPC1318 3.9 77.5 1.0
CG2 F:ILE101 3.9 83.8 1.0
CG1 G:VAL181 4.1 0.9 1.0
C27 G:ZPC1318 4.2 67.0 1.0
CZ F:ARG91 4.4 0.1 1.0
CE F:MET93 4.4 0.0 1.0
C21 G:ZPC1318 4.5 55.9 1.0
CB G:VAL181 4.6 0.9 1.0
CG2 G:VAL181 4.6 0.6 1.0
CB F:ILE101 4.6 0.8 1.0
CG1 F:VAL40 4.7 82.1 1.0
CG1 F:ILE101 4.8 98.8 1.0

Chlorine binding site 8 out of 10 in 4a97

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Chlorine binding site 8 out of 10 in the X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Zopiclone


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Zopiclone within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl1318

b:0.3
occ:1.00
 CL H:ZPC1318 0.0 0.3 1.0
C24 H:ZPC1318 1.7 0.7 1.0
C23 H:ZPC1318 2.7 0.2 1.0
C26 H:ZPC1318 2.8 83.5 1.0
CD1 G:ILE101 3.2 0.6 1.0
CG1 H:VAL181 3.2 0.6 1.0
CG2 H:VAL181 3.4 0.3 1.0
CB H:VAL181 3.5 0.7 1.0
NH2 G:ARG91 3.6 1.0 1.0
N22 H:ZPC1318 3.9 94.8 1.0
SD G:MET93 4.0 0.8 1.0
C27 H:ZPC1318 4.1 77.9 1.0
CG2 G:ILE101 4.2 97.7 1.0
CG1 G:ILE101 4.4 0.6 1.0
C21 H:ZPC1318 4.6 74.0 1.0
CB G:ILE101 4.7 0.8 1.0
CE G:MET93 4.7 0.5 1.0
CZ G:ARG91 4.9 0.0 1.0
O H:LEU178 5.0 0.3 1.0

Chlorine binding site 9 out of 10 in 4a97

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Chlorine binding site 9 out of 10 in the X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Zopiclone


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Zopiclone within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Cl1318

b:0.7
occ:1.00
 CL I:ZPC1318 0.0 0.7 1.0
C24 I:ZPC1318 1.7 92.4 1.0
C23 I:ZPC1318 2.6 73.1 1.0
C26 I:ZPC1318 2.8 0.5 1.0
CD1 H:ILE101 3.2 85.7 1.0
CG1 I:VAL181 3.5 0.7 1.0
CG2 H:ILE101 3.7 77.7 1.0
CG2 I:VAL181 3.8 0.2 1.0
CB I:VAL181 3.9 0.8 1.0
N22 I:ZPC1318 3.9 71.4 1.0
NH2 H:ARG91 4.0 0.3 1.0
C27 I:ZPC1318 4.1 0.7 1.0
CG1 H:ILE101 4.2 80.1 1.0
CG1 H:VAL40 4.4 86.2 1.0
CB H:ILE101 4.4 91.0 1.0
SD H:MET93 4.4 0.5 1.0
C21 I:ZPC1318 4.5 85.7 1.0
O I:LEU178 4.9 0.6 1.0
OE1 H:GLN42 4.9 1.0 1.0

Chlorine binding site 10 out of 10 in 4a97

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Chlorine binding site 10 out of 10 in the X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Zopiclone


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Zopiclone within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Cl1318

b:0.6
occ:1.00
 CL J:ZPC1318 0.0 0.6 1.0
C24 J:ZPC1318 1.7 79.7 1.0
C23 J:ZPC1318 2.7 73.1 1.0
C26 J:ZPC1318 2.8 83.0 1.0
NH2 I:ARG91 3.3 1.0 1.0
CD1 I:ILE101 3.3 88.0 1.0
CG2 I:ILE101 3.7 79.1 1.0
SD I:MET93 3.9 0.5 1.0
N22 J:ZPC1318 3.9 60.7 1.0
C27 J:ZPC1318 4.1 61.0 1.0
CG1 I:VAL40 4.1 78.2 1.0
CG1 J:VAL181 4.3 0.8 1.0
CG1 I:ILE101 4.3 86.9 1.0
CB I:ILE101 4.4 84.1 1.0
CZ I:ARG91 4.4 0.7 1.0
C21 J:ZPC1318 4.6 42.2 1.0
CE I:MET93 4.7 1.0 1.0
CB J:VAL181 4.7 0.4 1.0
NH1 I:ARG91 4.9 0.5 1.0
CG2 J:VAL181 4.9 0.5 1.0

Reference:

R.Spurny, J.Ramerstorfer, K.Price, M.Brams, M.Ernst, H.Nury, M.Verheij, P.Legrand, D.Bertrand, S.Bertrand, D.A.Dougherty, I.J.P.De Esch, P.Corringer, W.Sieghart, S.C.R.Lummis, C.Ulens. Pentameric Ligand-Gated Ion Channel Elic Is Activated By Gaba and Modulated By Benzodiazepines. Proc.Natl.Acad.Sci.Usa V. 109 E3028 2012.
ISSN: ISSN 0027-8424
PubMed: 23035248
DOI: 10.1073/PNAS.1208208109
Page generated: Sun Jul 21 08:57:13 2024

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