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Bromine in PDB 3zkr: X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Bromoform

Protein crystallography data

The structure of X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Bromoform, PDB code: 3zkr was solved by R.Spurny, B.Billen, R.J.Howard, M.Brams, S.Debaveye, K.L.Price, D.A.Weston, S.V.Strelkov, J.Tytgat, S.Bertrand, D.Bertrand, S.C.R.Lummis, C.Ulens, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.083 / 3.65
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 105.109, 266.248, 110.746, 90.00, 109.78, 90.00
R / Rfree (%) 22.87 / 26.39

Bromine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 22;

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 Bromoform (pdb code 3zkr). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 22 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 Bromoform, PDB code: 3zkr:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 22 in 3zkr

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Bromine binding site 1 out of 22 in the X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Bromoform


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 Bromoform within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br401

b:0.2
occ:1.00
 O A:ALA217 3.5 0.5 1.0
CZ B:PHE274 4.0 0.6 1.0
C A:ALA217 4.1 0.6 1.0
CE1 B:PHE274 4.3 0.6 1.0
CD2 B:LEU278 4.3 0.7 1.0
CB A:ALA217 4.4 0.6 1.0
N A:ALA218 4.6 0.6 1.0
CA A:ALA217 4.7 0.2 1.0
CA A:ALA218 4.7 0.9 1.0
CB A:SER221 4.8 0.2 1.0

Bromine binding site 2 out of 22 in 3zkr

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Bromine binding site 2 out of 22 in the X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Bromoform


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 Bromoform within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br402

b:0.5
occ:1.00
 CD1 A:LEU128 2.6 0.8 1.0
CD1 A:ILE195 3.1 0.2 1.0
O A:PHE126 3.3 0.7 1.0
C A:PHE126 3.8 0.4 1.0
CG A:LEU128 3.9 0.3 1.0
CG1 A:ILE195 4.0 91.1 1.0
CB A:PHE126 4.1 0.0 1.0
C A:VAL127 4.2 81.3 1.0
N A:LEU128 4.2 82.7 1.0
CB A:LEU128 4.2 90.8 1.0
N A:VAL127 4.3 93.3 1.0
CB A:ILE195 4.3 97.0 1.0
CG1 A:VAL193 4.4 0.4 1.0
CA A:VAL127 4.4 91.9 1.0
CD2 A:LEU128 4.5 0.6 1.0
O A:VAL193 4.5 95.2 1.0
O A:VAL127 4.5 99.0 1.0
CD1 A:ILE20 4.6 0.0 1.0
CA A:PHE126 4.6 97.4 1.0
N A:ILE195 4.7 0.6 1.0
CB A:VAL193 4.8 92.7 1.0
CA A:LEU128 4.8 78.7 1.0
CD1 A:ILE23 4.9 0.2 1.0

Bromine binding site 3 out of 22 in 3zkr

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Bromine binding site 3 out of 22 in the X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Bromoform


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 Bromoform within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br403

b:0.8
occ:1.00
 CD1 B:LEU240 4.5 0.4 1.0
CB B:ALA244 4.6 0.5 1.0
CD1 C:LEU240 4.8 0.3 1.0
CD1 A:LEU240 4.9 0.1 1.0

Bromine binding site 4 out of 22 in 3zkr

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Bromine binding site 4 out of 22 in the X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Bromoform


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 Bromoform within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br401

b:0.7
occ:1.00
 CZ3 B:TRP224 3.4 0.3 1.0
O B:ALA217 3.6 0.9 1.0
CB B:TRP220 3.8 0.5 1.0
CH2 B:TRP224 4.0 0.2 1.0
N B:SER221 4.0 1.0 1.0
C B:TRP220 4.1 0.4 1.0
CA B:SER221 4.3 0.1 1.0
O B:TRP220 4.4 0.5 1.0
CE3 B:TRP220 4.4 97.4 1.0
CE3 B:TRP224 4.4 0.9 1.0
CA B:TRP220 4.5 0.1 1.0
CB B:SER221 4.6 0.6 1.0
C B:ALA217 4.6 0.2 1.0
CG B:TRP220 4.8 0.6 1.0
O B:ARG301 4.9 0.3 1.0
CD2 B:TRP220 4.9 0.0 1.0
N B:TRP220 5.0 0.2 1.0

Bromine binding site 5 out of 22 in 3zkr

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Bromine binding site 5 out of 22 in the X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Bromoform


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 Bromoform within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br402

b:0.0
occ:1.00
 CD1 B:ILE195 2.9 0.5 1.0
CD1 B:LEU128 3.0 0.0 1.0
O B:PHE126 3.0 85.3 1.0
C B:PHE126 3.5 0.7 1.0
CB B:PHE126 3.6 0.5 1.0
CG1 B:ILE195 3.8 92.2 1.0
CB B:ILE195 4.0 56.6 1.0
N B:VAL127 4.0 0.9 1.0
CA B:PHE126 4.2 99.6 1.0
C B:VAL127 4.3 87.6 1.0
CG B:LEU128 4.3 90.6 1.0
CA B:VAL127 4.4 75.4 1.0
N B:LEU128 4.4 97.2 1.0
N B:ILE195 4.5 0.8 1.0
O B:VAL193 4.6 0.0 1.0
CD1 B:ILE23 4.6 0.7 1.0
O B:VAL127 4.6 66.6 1.0
CB B:LEU128 4.6 53.8 1.0
CG1 B:VAL193 4.7 92.4 1.0
CD1 B:ILE20 4.8 73.5 1.0
CA B:ILE195 4.9 94.2 1.0
CG B:PHE126 5.0 94.2 1.0
CD2 B:LEU128 5.0 70.3 1.0
CE2 B:TYR33 5.0 93.6 1.0

Bromine binding site 6 out of 22 in 3zkr

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Bromine binding site 6 out of 22 in the X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Bromoform


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 Bromoform within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Br401

b:0.5
occ:1.00
 O C:ALA217 3.0 0.2 1.0
C C:ALA217 3.5 1.0 1.0
CA C:ALA218 3.6 0.4 1.0
CE1 D:PHE274 3.7 0.8 1.0
N C:ALA218 3.8 0.2 1.0
CZ D:PHE274 3.8 0.9 1.0
CB C:SER221 4.0 0.5 1.0
CB C:ALA217 4.4 0.8 1.0
CD2 D:LEU278 4.4 0.3 1.0
CA C:ALA217 4.5 0.7 1.0
C C:ALA218 4.5 98.9 1.0
N C:SER221 4.5 0.1 1.0
CG2 D:ILE277 4.7 0.1 1.0
CB C:ALA218 4.7 0.9 1.0
CA C:SER221 4.7 0.3 1.0
O C:ALA218 4.7 0.6 1.0
OG C:SER221 4.8 0.8 1.0
CD1 D:PHE274 4.8 0.2 1.0
CE2 D:PHE274 5.0 0.9 1.0

Bromine binding site 7 out of 22 in 3zkr

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Bromine binding site 7 out of 22 in the X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Bromoform


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 Bromoform within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Br402

b:0.4
occ:1.00
 CD1 C:LEU128 2.4 0.7 1.0
O C:PHE126 3.1 98.6 1.0
N C:LEU128 3.3 94.2 1.0
CG C:LEU128 3.4 1.0 1.0
C C:VAL127 3.4 81.1 1.0
CB C:LEU128 3.4 61.7 1.0
O C:VAL193 3.6 96.0 1.0
C C:PHE126 3.7 90.6 1.0
CA C:VAL127 3.7 79.8 1.0
CD1 C:ILE195 3.8 0.6 1.0
CG1 C:VAL193 3.9 0.6 1.0
N C:VAL127 3.9 83.9 1.0
CA C:LEU128 3.9 72.0 1.0
O C:VAL127 4.0 93.4 1.0
CB C:VAL193 4.0 73.8 1.0
C C:VAL193 4.2 84.7 1.0
CD2 C:LEU128 4.2 0.5 1.0
CG1 C:ILE195 4.4 89.4 1.0
CB C:PHE126 4.6 0.8 1.0
N C:ILE195 4.7 0.1 1.0
CA C:VAL193 4.8 89.5 1.0
CA C:PHE126 4.8 88.0 1.0
N C:ARG194 4.8 88.5 1.0
CB C:ILE195 4.9 79.8 1.0
CA C:ARG194 4.9 62.8 1.0

Bromine binding site 8 out of 22 in 3zkr

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Bromine binding site 8 out of 22 in the X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Bromoform


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 Bromoform within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Br401

b:0.8
occ:1.00
 O D:ALA217 3.0 0.1 1.0
C D:ALA217 3.8 0.6 1.0
CB D:SER221 3.9 0.8 1.0
N D:SER221 4.0 0.3 1.0
CA D:SER221 4.2 0.5 1.0
CA D:ALA218 4.3 0.9 1.0
N D:ALA218 4.4 99.2 1.0
C D:TRP220 4.5 0.5 1.0
CZ3 D:TRP224 4.5 0.6 1.0
CB D:TRP220 4.6 0.5 1.0
CA D:ALA217 4.7 98.4 1.0
CB D:ALA217 4.8 0.1 1.0
C D:ALA218 4.9 0.3 1.0
CE3 D:TRP220 4.9 0.0 1.0
OG D:SER221 4.9 0.5 1.0
CA D:TRP220 4.9 0.6 1.0
N D:TRP220 5.0 0.9 1.0

Bromine binding site 9 out of 22 in 3zkr

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Bromine binding site 9 out of 22 in the X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Bromoform


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 Bromoform within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Br402

b:0.8
occ:1.00
 CD1 D:LEU128 2.6 98.8 1.0
CD1 D:ILE195 3.1 1.0 1.0
O D:PHE126 3.8 99.7 1.0
CG D:LEU128 3.9 85.5 1.0
CG1 D:ILE195 4.1 71.5 1.0
CD1 D:ILE20 4.2 82.2 1.0
C D:PHE126 4.2 100.0 1.0
CB D:PHE126 4.2 0.5 1.0
CD2 D:LEU128 4.4 81.8 1.0
CB D:LEU128 4.4 72.7 1.0
N D:LEU128 4.5 78.4 1.0
C D:VAL127 4.5 78.2 1.0
CD1 D:ILE23 4.5 0.9 1.0
CB D:ILE195 4.6 86.8 1.0
N D:VAL127 4.6 91.3 1.0
CG1 D:VAL193 4.7 0.3 1.0
CG2 D:VAL35 4.8 83.5 1.0
CA D:VAL127 4.8 69.2 1.0
O D:VAL127 4.8 86.6 1.0
CA D:PHE126 4.8 0.7 1.0
O D:VAL193 4.9 85.1 1.0

Bromine binding site 10 out of 22 in 3zkr

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Bromine binding site 10 out of 22 in the X-Ray Structure of A Pentameric Ligand Gated Ion Channel From Erwinia Chrysanthemi (Elic) in Complex with Bromoform


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 Bromoform within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Br401

b:0.4
occ:1.00
 CB E:SER221 2.2 0.8 1.0
CA E:SER221 2.9 0.9 1.0
N E:SER221 3.2 0.1 1.0
OG E:SER221 3.3 0.2 1.0
O E:ALA217 3.8 0.6 1.0
CD1 A:ILE281 3.9 1.0 1.0
C E:TRP220 4.1 0.8 1.0
O E:ALA218 4.2 0.9 1.0
CA E:ALA218 4.2 0.5 1.0
CG2 A:ILE277 4.2 0.1 1.0
CZ3 E:TRP224 4.3 0.3 1.0
C E:SER221 4.3 0.7 1.0
CE3 E:TRP224 4.4 0.6 1.0
C E:ALA218 4.4 0.4 1.0
C E:ALA217 4.6 0.9 1.0
O E:TRP220 4.7 1.0 1.0
N E:ALA218 4.8 99.5 1.0
O E:SER221 4.8 0.1 1.0
CA E:TRP220 5.0 0.7 1.0

Reference:

R.Spurny, B.Billen, R.J.Howard, M.Brams, S.Debaveye, K.L.Price, D.A.Weston, S.V.Strelkov, J.Tytgat, S.Bertrand, D.Bertrand, S.C.R.Lummis, C.Ulens. Multisite Binding of A General Anesthetic to the Prokaryotic Pentameric Erwinia Chrysanthemi Ligand-Gated Ion Channel (Elic). J.Biol.Chem. V. 288 8355 2013.
ISSN: ISSN 0021-9258
PubMed: 23364792
DOI: 10.1074/JBC.M112.424507
Page generated: Wed Jul 10 20:42:10 2024

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