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Bromine in PDB 5lid: X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Bromopromazine

Protein crystallography data

The structure of X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Bromopromazine, PDB code: 5lid 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) 49.54 / 4.50
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 105.720, 267.910, 111.330, 90.00, 106.70, 90.00
R / Rfree (%) 21.3 / 25.7

Bromine Binding Sites:

Pages:

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

Binding sites:

The binding sites of Bromine atom in the X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Bromopromazine (pdb code 5lid). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 20 binding sites of Bromine where determined in the X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Bromopromazine, PDB code: 5lid:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 20 in 5lid

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Bromine binding site 1 out of 20 in the X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Bromopromazine


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Bromopromazine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br401

b:0.2
occ:1.00
 NE1 A:TRP160 2.7 0.9 1.0
CD1 A:TRP160 3.1 0.4 1.0
CE2 A:TRP160 3.6 0.8 1.0
CG1 A:VAL26 3.7 0.4 1.0
CA A:TYR24 4.1 0.9 1.0
N A:GLY25 4.1 0.8 1.0
CG2 A:VAL26 4.1 0.3 1.0
CG A:TRP160 4.1 0.6 1.0
C A:TYR24 4.3 0.1 1.0
N A:VAL26 4.3 0.3 1.0
O A:ILE23 4.3 0.4 1.0
CZ2 A:TRP160 4.3 1.0 1.0
N A:TYR24 4.4 0.4 1.0
CD2 A:TRP160 4.4 0.9 1.0
CB A:VAL26 4.4 0.8 1.0
CE2 A:PHE126 4.5 1.0 1.0
C A:ILE23 4.5 0.8 1.0
CZ A:PHE126 4.5 0.0 1.0
CG2 A:ILE23 4.8 0.8 1.0
CA A:VAL26 4.9 0.8 1.0
CA A:GLY25 4.9 0.0 1.0
C A:GLY25 4.9 0.2 1.0

Bromine binding site 2 out of 20 in 5lid

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Bromine binding site 2 out of 20 in the X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Bromopromazine


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Bromopromazine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br402

b:0.0
occ:1.00
 CB A:ASN103 3.5 1.0 1.0
CD2 A:TYR38 3.8 0.7 1.0
CG A:ASN103 4.0 0.2 1.0
CB A:TYR38 4.0 0.7 1.0
ND2 A:ASN103 4.3 0.1 1.0
CG A:TYR38 4.3 0.5 1.0
CZ B:PHE133 4.3 0.1 1.0
N A:ALA104 4.4 0.8 1.0
CA A:ASN103 4.4 0.3 1.0
OD1 A:ASN103 4.6 0.2 1.0
C A:ASN103 4.6 0.0 1.0
CG2 A:VAL40 4.7 0.4 1.0
CE2 A:TYR38 4.7 0.5 1.0
O A:ILE39 4.8 0.3 1.0
O A:ALA104 4.8 0.5 1.0
CE1 B:PHE133 4.9 0.6 1.0
CE2 B:PHE133 4.9 0.5 1.0
C A:ALA104 5.0 0.7 1.0

Bromine binding site 3 out of 20 in 5lid

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Bromine binding site 3 out of 20 in the X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Bromopromazine


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Bromopromazine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br401

b:0.6
occ:1.00
 CD2 B:TYR38 3.6 0.1 1.0
CB B:ASN103 3.7 0.8 1.0
CG B:ASN103 4.1 0.3 1.0
CG B:TYR38 4.1 0.6 1.0
CB B:TYR38 4.1 0.6 1.0
ND2 B:ASN103 4.2 0.8 1.0
CZ C:PHE133 4.3 1.0 1.0
CE2 B:TYR38 4.3 0.5 1.0
OD1 B:ASN103 4.7 0.5 1.0
CE1 C:PHE133 4.7 0.4 1.0
CA B:ASN103 4.8 0.9 1.0
N B:ALA104 4.8 0.5 1.0
CE2 C:PHE133 4.8 0.9 1.0
C B:ASN103 4.9 0.6 1.0

Bromine binding site 4 out of 20 in 5lid

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Bromine binding site 4 out of 20 in the X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Bromopromazine


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Bromopromazine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br402

b:0.1
occ:1.01
 CZ2 B:TRP160 3.5 0.1 1.0
CG1 B:VAL26 3.7 0.4 1.0
N B:GLY25 4.0 0.2 1.0
CE2 B:TRP160 4.1 0.5 1.0
NE1 B:TRP160 4.1 0.0 1.0
CA B:TYR24 4.2 0.0 1.0
N B:VAL26 4.3 0.1 1.0
CH2 B:TRP160 4.4 0.6 1.0
C B:TYR24 4.4 0.3 1.0
O B:ILE23 4.6 0.4 1.0
CG2 B:VAL26 4.7 0.5 1.0
CB B:VAL26 4.7 0.1 1.0
N B:TYR24 4.7 0.2 1.0
C B:ILE23 4.8 0.3 1.0
CZ B:PHE126 4.9 0.8 1.0
CA B:GLY25 4.9 0.3 1.0
C B:GLY25 4.9 0.8 1.0

Bromine binding site 5 out of 20 in 5lid

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Bromine binding site 5 out of 20 in the X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Bromopromazine


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Bromopromazine within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Br401

b:1.0
occ:1.00
 CD2 C:TYR38 3.6 0.1 1.0
CB C:ASN103 3.7 0.4 1.0
CG C:ASN103 3.9 0.9 1.0
ND2 C:ASN103 4.0 0.2 1.0
CG C:TYR38 4.2 0.8 1.0
CZ D:PHE133 4.2 0.3 1.0
CB C:TYR38 4.3 0.1 1.0
CE2 C:TYR38 4.3 0.8 1.0
OD1 C:ASN103 4.6 0.9 1.0
CE1 D:PHE133 4.7 0.8 1.0
CE2 D:PHE133 4.7 0.1 1.0
CA C:ASN103 4.8 0.7 1.0
CG2 C:VAL40 4.9 0.3 1.0
N C:ALA104 5.0 0.9 1.0

Bromine binding site 6 out of 20 in 5lid

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Bromine binding site 6 out of 20 in the X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Bromopromazine


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Bromopromazine within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Br402

b:0.9
occ:1.00
 NE1 C:TRP160 2.8 0.3 1.0
CA C:TYR24 2.9 0.2 1.0
C C:TYR24 3.1 0.6 1.0
N C:TYR24 3.3 0.9 1.0
O C:TYR24 3.5 0.6 1.0
CE2 C:TRP160 3.6 0.7 1.0
CD1 C:TRP160 3.7 0.6 1.0
N C:GLY25 3.7 0.0 1.0
CZ2 C:TRP160 3.9 0.8 1.0
CG1 C:VAL26 4.0 0.0 1.0
CB C:TYR24 4.2 0.0 1.0
N C:VAL26 4.5 1.0 1.0
C C:ILE23 4.6 0.2 1.0
CG2 C:ILE23 4.6 0.9 1.0
CD2 C:TRP160 4.6 0.5 1.0
CG C:TRP160 4.7 0.9 1.0
CG2 C:VAL26 4.7 0.8 1.0
CA C:GLY25 4.8 0.9 1.0
CB C:ILE23 4.9 0.7 1.0
CB C:VAL26 4.9 0.1 1.0

Bromine binding site 7 out of 20 in 5lid

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Bromine binding site 7 out of 20 in the X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Bromopromazine


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Bromopromazine within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Br401

b:0.3
occ:1.00
 CB D:ASN103 3.4 0.6 1.0
CG D:ASN103 3.7 0.0 1.0
ND2 D:ASN103 3.9 0.3 1.0
CD2 D:TYR38 3.9 0.5 1.0
OD1 D:ASN103 4.3 0.6 1.0
CB D:TYR38 4.4 0.1 1.0
CG D:TYR38 4.4 0.5 1.0
CA D:ASN103 4.4 0.9 1.0
CZ E:PHE133 4.5 0.5 1.0
CE2 D:TYR38 4.6 0.9 1.0
CG2 D:VAL40 4.6 0.2 1.0
N D:ALA104 4.7 0.1 1.0
C D:ASN103 4.7 0.7 1.0
CE1 E:PHE133 5.0 0.4 1.0

Bromine binding site 8 out of 20 in 5lid

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Bromine binding site 8 out of 20 in the X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Bromopromazine


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Bromopromazine within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Br402

b:0.1
occ:1.00
 NE1 D:TRP160 2.8 1.0 1.0
CD1 D:TRP160 3.4 0.3 1.0
CG2 D:VAL26 3.7 0.7 1.0
CE2 D:TRP160 4.0 0.6 1.0
CA D:TYR24 4.1 0.2 1.0
N D:GLY25 4.2 0.0 1.0
O D:ILE23 4.3 0.8 1.0
C D:TYR24 4.4 0.2 1.0
N D:TYR24 4.4 0.5 1.0
C D:ILE23 4.5 0.1 1.0
CZ2 D:TRP160 4.6 0.0 1.0
CG D:TRP160 4.7 0.6 1.0
N D:VAL26 4.7 0.4 1.0
CZ D:PHE126 4.8 0.0 1.0
CD2 D:TRP160 5.0 0.8 1.0

Bromine binding site 9 out of 20 in 5lid

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Bromine binding site 9 out of 20 in the X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Bromopromazine


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Bromopromazine within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Br401

b:0.4
occ:1.00
 CB E:ASN103 3.6 0.2 1.0
CG E:ASN103 4.0 0.4 1.0
CG E:TYR38 4.2 0.1 1.0
CB E:TYR38 4.2 0.8 1.0
OD1 E:ASN103 4.2 0.0 1.0
CD2 E:TYR38 4.3 0.6 1.0
CA E:ASN103 4.6 0.5 1.0
CZ A:PHE133 4.6 0.5 1.0
CG1 E:VAL40 4.6 0.4 1.0
ND2 E:ASN103 4.6 0.3 1.0
N E:ALA104 4.6 0.9 1.0
CD1 E:TYR38 4.7 0.5 1.0
C E:ASN103 4.8 1.0 1.0
CE2 E:TYR38 4.9 0.8 1.0
O E:ILE39 5.0 0.3 1.0

Bromine binding site 10 out of 20 in 5lid

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Bromine binding site 10 out of 20 in the X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Bromopromazine


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Bromopromazine within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Br402

b:0.4
occ:1.00
 NE1 E:TRP160 2.3 0.4 1.0
CD1 E:TRP160 2.5 1.0 1.0
CG2 E:VAL26 3.0 0.7 1.0
O E:TYR24 3.3 0.3 1.0
C E:TYR24 3.3 0.3 1.0
CA E:TYR24 3.4 0.1 1.0
CE2 E:TRP160 3.7 0.6 1.0
N E:TYR24 3.7 0.2 1.0
CG E:TRP160 3.8 0.8 1.0
N E:GLY25 4.0 1.0 1.0
N E:VAL26 4.2 0.3 1.0
CB E:VAL26 4.4 0.4 1.0
CD2 E:TRP160 4.4 0.1 1.0
OE1 E:GLU159 4.4 0.3 1.0
CG1 E:ILE23 4.5 0.9 1.0
CZ2 E:TRP160 4.6 0.8 1.0
CA E:GLY25 4.7 0.5 1.0
CZ E:PHE126 4.8 0.9 1.0
C E:GLY25 4.8 0.2 1.0
CB E:TYR24 4.8 0.2 1.0
CB E:TRP160 4.9 0.1 1.0
CA E:VAL26 4.9 0.0 1.0
C E:ILE23 5.0 0.9 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: Thu Jul 11 00:10:08 2024

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