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Chlorine in PDB 5lg3: X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Chlorpromazine

Protein crystallography data

The structure of X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Chlorpromazine, PDB code: 5lg3 was solved by M.Nys, E.Wijckmans, A.Farinha, M.Brams, R.Spurny, C.Ulens, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.75 / 3.57
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 105.200, 266.650, 111.040, 90.00, 107.71, 90.00
R / Rfree (%) 22 / 25.3

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 Chlorpromazine (pdb code 5lg3). 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 Chlorpromazine, PDB code: 5lg3:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 10 in 5lg3

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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 Chlorpromazine


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 Chlorpromazine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:0.0
occ:1.00
 CL1 A:Z80401 0.0 0.0 1.0
C10 A:Z80401 1.8 0.9 1.0
C11 A:Z80401 2.7 0.1 1.0
C9 A:Z80401 2.7 0.6 1.0
CG2 A:THR149 3.4 0.6 1.0
O A:ILE20 3.4 81.9 1.0
CG1 A:VAL147 3.6 0.1 1.0
CG2 A:ILE20 3.9 59.5 1.0
C8 A:Z80401 4.0 95.6 1.0
O A:ASN21 4.0 91.8 1.0
C4 A:Z80401 4.0 0.1 1.0
C A:ASN21 4.1 80.9 1.0
C A:ILE20 4.2 68.5 1.0
N A:LYS22 4.4 83.1 1.0
C3 A:Z80401 4.5 91.3 1.0
CA A:LYS22 4.7 76.7 1.0
N A:ASN21 4.7 57.2 1.0
CA A:ASN21 4.7 72.8 1.0
CB A:ILE20 4.7 52.1 1.0
CB A:THR149 4.7 0.7 1.0
CB A:VAL147 4.8 0.7 1.0
N A:TYR148 4.8 99.8 1.0
OG1 A:THR149 4.9 0.7 1.0

Chlorine binding site 2 out of 10 in 5lg3

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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 Chlorpromazine


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 Chlorpromazine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl401

b:0.8
occ:0.68
 CL1 B:Z80401 0.0 0.8 0.7
C10 B:Z80401 1.8 0.1 0.7
C9 B:Z80401 2.7 0.3 0.7
C11 B:Z80401 2.7 0.5 0.7
O B:ASN21 3.2 91.8 1.0
CG2 B:THR149 3.5 0.5 1.0
O B:ILE20 3.5 80.6 1.0
C B:ASN21 3.6 75.7 1.0
C8 B:Z80401 4.0 0.5 0.7
C4 B:Z80401 4.1 0.5 0.7
N B:LYS22 4.1 77.5 1.0
CE2 B:TYR148 4.1 0.4 1.0
CA B:ASN21 4.3 59.3 1.0
C B:ILE20 4.3 64.5 1.0
CA B:LYS22 4.4 72.0 1.0
CD2 B:TYR148 4.4 0.1 1.0
C3 B:Z80401 4.5 97.8 0.7
N B:ASN21 4.6 57.9 1.0
CZ B:TYR148 4.7 0.2 1.0
CG2 B:ILE20 4.7 48.4 1.0
CG1 B:VAL147 4.7 0.8 1.0

Chlorine binding site 3 out of 10 in 5lg3

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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 Chlorpromazine


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 Chlorpromazine within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl401

b:0.7
occ:1.00
 CL1 C:Z80401 0.0 0.7 1.0
C10 C:Z80401 1.8 0.5 1.0
C11 C:Z80401 2.7 0.9 1.0
C9 C:Z80401 2.7 0.0 1.0
CG2 C:THR149 3.4 0.3 1.0
O C:ILE20 3.4 87.6 1.0
O C:ASN21 3.4 85.9 1.0
C C:ASN21 3.7 79.4 1.0
C8 C:Z80401 4.0 0.6 1.0
C4 C:Z80401 4.0 0.3 1.0
N C:LYS22 4.1 80.9 1.0
C C:ILE20 4.2 69.2 1.0
CA C:ASN21 4.4 68.0 1.0
CG1 C:VAL147 4.4 1.0 1.0
CA C:LYS22 4.4 74.9 1.0
CE2 C:TYR148 4.4 0.4 1.0
CG2 C:ILE20 4.4 48.6 1.0
C3 C:Z80401 4.5 0.7 1.0
N C:ASN21 4.6 59.5 1.0
CD2 C:TYR148 4.6 0.9 1.0
CB C:THR149 4.8 0.5 1.0
N C:TYR148 4.9 94.8 1.0
CZ C:TYR148 5.0 0.2 1.0

Chlorine binding site 4 out of 10 in 5lg3

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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 Chlorpromazine


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 Chlorpromazine within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl401

b:0.3
occ:0.82
 CL1 D:Z80401 0.0 0.3 0.8
C10 D:Z80401 1.8 0.3 0.8
C11 D:Z80401 2.7 0.0 0.8
C9 D:Z80401 2.7 0.6 0.8
CG2 D:THR149 3.2 1.0 1.0
O D:ASN21 3.5 91.3 1.0
O D:ILE20 3.8 87.7 1.0
C D:ASN21 3.9 79.3 1.0
C8 D:Z80401 4.0 50.2 0.8
C4 D:Z80401 4.0 83.8 0.8
N D:LYS22 4.3 78.5 1.0
CA D:LYS22 4.5 69.7 1.0
CG1 D:VAL147 4.5 0.7 1.0
CE2 D:TYR148 4.5 0.5 1.0
C3 D:Z80401 4.5 58.5 0.8
CA D:ASN21 4.6 65.5 1.0
C D:ILE20 4.6 57.3 1.0
CB D:THR149 4.7 0.7 1.0
CG2 D:ILE20 4.7 46.9 1.0
CD2 D:TYR148 4.7 0.5 1.0
N D:ASN21 4.9 52.5 1.0
N D:TYR148 5.0 94.1 1.0

Chlorine binding site 5 out of 10 in 5lg3

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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 Chlorpromazine


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 Chlorpromazine within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl401

b:0.3
occ:1.00
 CL1 E:Z80401 0.0 0.3 1.0
C10 E:Z80401 1.8 0.5 1.0
C11 E:Z80401 2.7 0.9 1.0
C9 E:Z80401 2.7 0.3 1.0
O E:ILE20 3.2 80.5 1.0
CG2 E:THR149 3.5 0.1 1.0
O E:ASN21 3.5 85.7 1.0
C E:ASN21 3.6 82.5 1.0
N E:LYS22 4.0 86.2 1.0
C E:ILE20 4.0 66.5 1.0
C8 E:Z80401 4.0 0.4 1.0
C4 E:Z80401 4.0 76.6 1.0
CG2 E:ILE20 4.1 56.0 1.0
CG1 E:VAL147 4.1 0.9 1.0
CA E:ASN21 4.3 68.6 1.0
CA E:LYS22 4.3 81.8 1.0
N E:ASN21 4.4 55.0 1.0
CE2 E:TYR148 4.5 0.4 1.0
C3 E:Z80401 4.5 84.7 1.0
CD2 E:TYR148 4.6 0.1 1.0
CB E:ILE20 4.8 47.9 1.0
N E:TYR148 4.8 96.1 1.0
CB E:THR149 5.0 0.7 1.0

Chlorine binding site 6 out of 10 in 5lg3

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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 Chlorpromazine


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 Chlorpromazine within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl401

b:0.4
occ:0.93
 CL1 F:Z80401 0.0 0.4 0.9
C10 F:Z80401 1.8 0.9 0.9
C11 F:Z80401 2.7 0.4 0.9
C9 F:Z80401 2.8 0.2 0.9
O F:ILE20 3.1 91.9 1.0
CG1 F:VAL147 3.4 0.7 1.0
CG2 F:ILE20 3.6 44.8 1.0
CG2 F:THR149 3.6 0.4 1.0
C F:ILE20 3.8 68.6 1.0
C F:ASN21 4.0 81.4 1.0
O F:ASN21 4.0 93.0 1.0
C8 F:Z80401 4.0 74.2 0.9
C4 F:Z80401 4.1 0.5 0.9
N F:LYS22 4.2 82.6 1.0
CB F:ILE20 4.3 41.5 1.0
N F:ASN21 4.4 55.4 1.0
CA F:ASN21 4.5 63.1 1.0
C3 F:Z80401 4.5 98.1 0.9
CB F:VAL147 4.6 0.7 1.0
CA F:LYS22 4.6 80.8 1.0
N F:TYR148 4.7 92.7 1.0
CA F:ILE20 4.7 52.4 1.0
CA F:VAL147 4.8 0.3 1.0
CE2 F:TYR148 4.9 0.9 1.0
CD2 F:TYR148 5.0 0.7 1.0
CB F:THR149 5.0 0.5 1.0

Chlorine binding site 7 out of 10 in 5lg3

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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 Chlorpromazine


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 Chlorpromazine within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl401

b:0.9
occ:0.66
 CL1 G:Z80401 0.0 0.9 0.7
C10 G:Z80401 1.8 0.4 0.7
C9 G:Z80401 2.7 0.8 0.7
C11 G:Z80401 2.7 0.9 0.7
O G:ASN21 2.9 88.6 1.0
O G:ILE20 3.2 82.4 1.0
C G:ASN21 3.2 72.7 1.0
CG2 G:THR149 3.6 0.2 1.0
N G:LYS22 3.8 77.3 1.0
CA G:ASN21 3.9 55.5 1.0
C G:ILE20 4.0 62.8 1.0
CE2 G:TYR148 4.0 0.7 1.0
C8 G:Z80401 4.0 0.9 0.7
C4 G:Z80401 4.0 95.0 0.7
CA G:LYS22 4.2 70.1 1.0
N G:ASN21 4.2 51.5 1.0
CD2 G:TYR148 4.3 0.2 1.0
CZ G:TYR148 4.5 1.0 1.0
C3 G:Z80401 4.5 88.5 0.7
CG2 G:ILE20 4.6 58.8 1.0
CG1 G:VAL147 4.8 0.4 1.0
OH G:TYR148 4.8 0.7 1.0
N G:TYR148 5.0 0.4 1.0

Chlorine binding site 8 out of 10 in 5lg3

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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 Chlorpromazine


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 Chlorpromazine within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl401

b:0.8
occ:0.99
 CL1 H:Z80401 0.0 0.8 1.0
C10 H:Z80401 1.8 0.9 1.0
C9 H:Z80401 2.7 0.4 1.0
C11 H:Z80401 2.7 0.1 1.0
O H:ILE20 3.0 87.4 1.0
CG2 H:THR149 3.5 0.2 1.0
CG1 H:VAL147 3.8 0.7 1.0
C H:ILE20 3.9 68.5 1.0
O H:ASN21 4.0 98.1 1.0
C8 H:Z80401 4.0 0.2 1.0
C4 H:Z80401 4.0 93.7 1.0
C H:ASN21 4.1 78.5 1.0
CG2 H:ILE20 4.1 52.1 1.0
N H:LYS22 4.4 73.9 1.0
CE2 H:TYR148 4.5 0.8 1.0
CA H:ASN21 4.5 64.5 1.0
N H:TYR148 4.5 98.9 1.0
N H:ASN21 4.5 56.4 1.0
CD2 H:TYR148 4.5 0.8 1.0
C3 H:Z80401 4.5 0.3 1.0
CB H:ILE20 4.6 48.2 1.0
CB H:VAL147 4.8 0.4 1.0
CA H:VAL147 4.8 0.5 1.0
CA H:LYS22 4.9 76.5 1.0
CB H:THR149 4.9 0.9 1.0
CA H:ILE20 4.9 46.9 1.0

Chlorine binding site 9 out of 10 in 5lg3

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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 Chlorpromazine


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 Chlorpromazine within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Cl401

b:0.7
occ:0.83
 CL1 I:Z80401 0.0 0.7 0.8
C10 I:Z80401 1.8 0.1 0.8
C11 I:Z80401 2.7 1.0 0.8
C9 I:Z80401 2.7 0.2 0.8
O I:ASN21 3.1 94.7 1.0
CG2 I:THR149 3.4 0.5 1.0
C I:ASN21 3.6 85.0 1.0
O I:ILE20 3.9 87.3 1.0
N I:LYS22 4.0 84.8 1.0
C8 I:Z80401 4.0 0.1 0.8
C4 I:Z80401 4.0 99.4 0.8
CA I:LYS22 4.1 81.4 1.0
CA I:ASN21 4.4 70.2 1.0
C3 I:Z80401 4.5 0.6 0.8
C I:ILE20 4.6 62.9 1.0
CE2 I:TYR148 4.7 0.5 1.0
CG1 I:VAL147 4.7 0.4 1.0
CG2 I:ILE20 4.8 59.2 1.0
N I:ASN21 4.8 49.6 1.0
CB I:THR149 4.9 0.2 1.0
CD2 I:TYR148 5.0 0.6 1.0
C I:LYS22 5.0 82.4 1.0

Chlorine binding site 10 out of 10 in 5lg3

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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 Chlorpromazine


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 Chlorpromazine within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Cl401

b:0.8
occ:0.89
 CL1 J:Z80401 0.0 0.8 0.9
C10 J:Z80401 1.8 0.6 0.9
C11 J:Z80401 2.7 73.8 0.9
C9 J:Z80401 2.8 97.1 0.9
O J:ILE20 3.3 85.2 1.0
CG2 J:THR149 3.4 0.8 1.0
CG1 J:VAL147 3.7 0.7 1.0
O J:ASN21 3.8 84.5 1.0
C J:ASN21 4.0 85.7 1.0
C8 J:Z80401 4.0 42.4 0.9
CG2 J:ILE20 4.0 48.9 1.0
C4 J:Z80401 4.1 66.3 0.9
C J:ILE20 4.1 64.8 1.0
N J:LYS22 4.3 91.7 1.0
CA J:ASN21 4.5 74.9 1.0
C3 J:Z80401 4.6 57.3 0.9
N J:ASN21 4.6 60.4 1.0
CA J:LYS22 4.6 90.9 1.0
N J:TYR148 4.7 95.1 1.0
CB J:THR149 4.7 0.7 1.0
CB J:ILE20 4.7 42.4 1.0
CE2 J:TYR148 4.8 0.6 1.0
CB J:VAL147 4.9 0.9 1.0
CD2 J:TYR148 4.9 0.6 1.0
OG1 J:THR149 4.9 0.7 1.0

Reference:

M.Nys, E.Wijckmans, A.Farinha, O.Yoluk, M.Andersson, M.Brams, R.Spurny, S.Peigneur, J.Tytgat, E.Lindahl, C.Ulens. Allosteric Binding Site in A Cys-Loop Receptor Ligand-Binding Domain Unveiled in the Crystal Structure of Elic in Complex with Chlorpromazine. Proc.Natl.Acad.Sci.Usa V. 113 E6696 2016.
ISSN: ESSN 1091-6490
PubMed: 27791038
DOI: 10.1073/PNAS.1603101113
Page generated: Sat Dec 12 12:03:08 2020

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