Bromine in PDB 4hfh: The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform

The structure of The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform, PDB code: 4hfh was solved by L.Sauguet, R.J.Howard, L.Malherbe, U.S.Lee, P.J.Corringer, R.A.Harris, M.Delarue, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	21.71 / 2.65
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	181.000, 132.650, 159.270, 90.00, 102.16, 90.00
R / Rfree (%)	20.2 / 21.3

The structure of The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform also contains other interesting chemical elements:

Chlorine	(Cl)	7 atoms
Sodium	(Na)	5 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 40; Page 5, Binding sites: 41 - 45;

Binding sites:

The binding sites of Bromine atom in the The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform (pdb code 4hfh). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 45 binding sites of Bromine where determined in the The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform, PDB code: 4hfh:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 45 in the The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform within 5.0Å range: probe atom residue distance (Å) B Occ A:Br413 b:0.1 occ:0.55 BR2 A:MBR413 0.0 0.1 0.6 C1 A:MBR413 1.9 1.0 0.6 BR3 A:MBR413 2.9 0.7 0.6 CD1 A:ILE201 3.1 72.0 1.0 BR1 A:MBR413 3.1 0.3 0.6 BR1 A:MBR414 3.3 0.9 0.6 CG2 A:VAL242 3.4 61.6 1.0 CE1 A:TYR197 3.4 64.3 1.0 CD1 A:TYR197 3.4 63.2 1.0 CG1 A:ILE201 3.9 63.1 1.0 OH A:TYR119 3.9 59.9 1.0 CB A:VAL242 4.1 62.0 1.0 BR2 A:MBR414 4.2 0.7 0.6 CA A:VAL242 4.2 59.3 1.0 CG1 A:VAL242 4.2 61.4 1.0 CG2 A:ILE201 4.3 63.0 1.0 CE1 A:TYR119 4.3 53.4 1.0 CB A:ILE201 4.3 62.9 1.0 C1 A:MBR414 4.5 0.5 0.6 CZ A:TYR119 4.6 58.9 1.0 CZ A:TYR197 4.7 69.4 1.0 CG A:TYR197 4.8 61.8 1.0

Bromine binding site 2 out of 45 in the The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform within 5.0Å range: probe atom residue distance (Å) B Occ A:Br413 b:0.3 occ:0.55 BR1 A:MBR413 0.0 0.3 0.6 C1 A:MBR413 1.9 1.0 0.6 BR2 A:MBR413 3.1 0.1 0.6 ND2 A:ASN245 3.1 0.9 1.0 BR3 A:MBR413 3.2 0.7 0.6 CD1 A:ILE201 3.5 72.0 1.0 CG A:ASN245 3.5 0.8 1.0 O A:LEU241 4.0 63.2 1.0 NZ B:LYS248 4.0 81.3 1.0 OD1 A:ASN245 4.0 0.6 1.0 CG A:LEU241 4.0 63.0 1.0 CB A:ASN245 4.2 74.0 1.0 CA A:VAL242 4.4 59.3 1.0 CE B:LYS248 4.4 73.6 1.0 C A:LEU241 4.4 62.8 1.0 CD1 A:LEU241 4.4 63.2 1.0 CG1 A:ILE201 4.5 63.1 1.0 CD2 A:LEU241 4.6 66.2 1.0 N A:VAL242 4.6 59.6 1.0 OE2 B:GLU243 4.6 97.4 1.0 CG2 A:VAL242 4.8 61.6 1.0 CE1 A:TYR197 5.0 64.3 1.0

Bromine binding site 3 out of 45 in the The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform within 5.0Å range: probe atom residue distance (Å) B Occ A:Br413 b:0.7 occ:0.55 BR3 A:MBR413 0.0 0.7 0.6 C1 A:MBR413 1.9 1.0 0.6 BR2 A:MBR413 2.9 0.1 0.6 OH A:TYR119 2.9 59.9 1.0 CB A:ASN245 2.9 74.0 1.0 O A:VAL242 2.9 67.6 1.0 BR1 A:MBR413 3.2 0.3 0.6 CA A:VAL242 3.5 59.3 1.0 CG A:ASN245 3.6 0.8 1.0 C A:VAL242 3.6 66.7 1.0 CZ A:TYR119 3.8 58.9 1.0 ND2 A:ASN245 3.8 0.9 1.0 CE1 A:TYR119 3.9 53.4 1.0 CG1 A:VAL242 4.0 61.4 1.0 CA A:ASN245 4.0 70.2 1.0 CB A:VAL242 4.1 62.0 1.0 N A:ASN245 4.3 70.1 1.0 O A:LEU241 4.3 63.2 1.0 C A:ASN245 4.3 73.9 1.0 CG A:LEU246 4.4 72.8 1.0 CG2 A:VAL242 4.4 61.6 1.0 OD1 A:ASN245 4.5 0.6 1.0 N A:VAL242 4.6 59.6 1.0 CE1 A:TYR197 4.6 64.3 1.0 O A:ASN245 4.7 75.0 1.0 CD1 A:LEU246 4.8 72.7 1.0 N A:LEU246 4.8 68.9 1.0 C A:LEU241 4.9 62.8 1.0 NZ B:LYS248 4.9 81.3 1.0 N A:GLU243 5.0 64.2 1.0 CE2 A:TYR119 5.0 53.8 1.0

Bromine binding site 4 out of 45 in the The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform within 5.0Å range: probe atom residue distance (Å) B Occ A:Br414 b:0.7 occ:0.56 BR2 A:MBR414 0.0 0.7 0.6 C1 A:MBR414 1.9 0.5 0.6 BR1 A:MBR414 3.0 0.9 0.6 CB A:TYR197 3.1 61.6 1.0 BR3 A:MBR414 3.1 0.8 0.6 O A:TYR197 3.3 66.7 1.0 CG1 A:ILE202 3.3 63.7 1.0 CG2 A:ILE201 3.3 63.0 1.0 CB A:ILE201 3.3 62.9 1.0 CD1 A:TYR197 3.5 63.2 1.0 CD1 A:ILE202 3.6 69.8 1.0 CA A:TYR197 3.7 61.6 1.0 CG A:TYR197 3.7 61.8 1.0 C A:TYR197 3.7 66.0 1.0 BR2 A:MBR414 3.8 0.3 0.4 N A:ILE202 3.8 60.3 1.0 BR2 A:MBR413 4.2 0.1 0.6 CG A:PRO120 4.2 58.5 1.0 CA A:ILE201 4.3 60.1 1.0 CD1 A:ILE201 4.4 72.0 1.0 C A:ILE201 4.4 63.2 1.0 CG1 A:ILE201 4.4 63.1 1.0 CB A:ILE202 4.4 64.0 1.0 CA A:ILE202 4.5 60.6 1.0 BR3 A:MBR414 4.7 0.7 0.4 CE1 A:TYR197 4.7 64.3 1.0 N A:ILE201 4.8 60.8 1.0 N A:ILE198 4.9 62.4 1.0 CD A:PRO120 5.0 54.2 1.0 C1 A:MBR414 5.0 0.1 0.4

Bromine binding site 5 out of 45 in the The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform within 5.0Å range: probe atom residue distance (Å) B Occ A:Br414 b:0.3 occ:0.44 BR2 A:MBR414 0.0 0.3 0.4 BR3 A:MBR414 0.9 0.8 0.6 C1 A:MBR414 1.9 0.1 0.4 C1 A:MBR414 2.9 0.5 0.6 BR1 A:MBR414 3.1 0.3 0.4 BR3 A:MBR414 3.2 0.7 0.4 CG2 A:THR255 3.7 67.4 1.0 CG2 A:ILE201 3.7 63.0 1.0 BR2 A:MBR414 3.8 0.7 0.6 CG1 A:ILE202 3.9 63.7 1.0 SD A:MET205 3.9 73.8 1.0 BR1 A:MBR414 4.1 0.9 0.6 CE A:MET205 4.2 69.7 1.0 CD1 A:ILE259 4.4 66.6 1.0 OG1 A:THR255 4.4 72.2 1.0 CG1 A:ILE259 4.4 62.1 1.0 CB A:THR255 4.5 68.1 1.0 CA A:ILE202 4.6 60.6 1.0 CA A:THR255 4.7 58.2 1.0 N A:ILE202 4.7 60.3 1.0 CB A:ILE202 4.8 64.0 1.0 O A:THR255 4.8 61.9 1.0 CD1 A:ILE202 4.8 69.8 1.0 CB A:ILE201 4.9 62.9 1.0 C A:ILE201 5.0 63.2 1.0

Bromine binding site 6 out of 45 in the The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform within 5.0Å range: probe atom residue distance (Å) B Occ A:Br414 b:0.9 occ:0.56 BR1 A:MBR414 0.0 0.9 0.6 C1 A:MBR414 1.9 0.5 0.6 BR2 A:MBR414 3.0 0.7 0.6 CG2 A:THR255 3.1 67.4 1.0 OG1 A:THR255 3.2 72.2 1.0 BR3 A:MBR414 3.2 0.8 0.6 BR2 A:MBR413 3.3 0.1 0.6 CE1 A:TYR119 3.4 53.4 1.0 CG A:PRO120 3.6 58.5 1.0 CB A:THR255 3.7 68.1 1.0 CD A:PRO120 3.8 54.2 1.0 CD1 A:TYR197 3.8 63.2 1.0 CD1 A:TYR119 3.9 54.4 1.0 BR2 A:MBR414 4.1 0.3 0.4 CB A:PRO120 4.2 54.6 1.0 CE1 A:TYR197 4.2 64.3 1.0 CZ A:TYR119 4.4 58.9 1.0 N A:PRO120 4.5 54.5 1.0 CG2 A:VAL242 4.6 61.6 1.0 CG1 A:VAL242 4.6 61.4 1.0 CG A:TYR197 4.6 61.8 1.0 BR3 A:MBR414 4.6 0.7 0.4 CG2 A:ILE201 4.6 63.0 1.0 OH A:TYR119 4.8 59.9 1.0 C1 A:MBR413 4.8 1.0 0.6 CB A:TYR197 4.9 61.6 1.0

Bromine binding site 7 out of 45 in the The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform within 5.0Å range: probe atom residue distance (Å) B Occ A:Br414 b:0.3 occ:0.44 BR1 A:MBR414 0.0 0.3 0.4 C1 A:MBR414 1.9 0.1 0.4 BR2 A:MBR414 3.1 0.3 0.4 BR3 A:MBR414 3.2 0.7 0.4 CG2 A:ILE258 3.5 64.6 1.0 BR3 A:MBR414 3.7 0.8 0.6 CG2 A:ILE202 3.7 65.1 1.0 CG1 A:ILE202 3.7 63.7 1.0 C7B A:PLC402 3.8 0.0 1.0 C6B A:PLC402 3.9 0.5 1.0 CD1 A:ILE258 3.9 70.3 1.0 CB A:ILE202 4.1 64.0 1.0 CB A:ILE258 4.3 63.2 1.0 CA A:ILE202 4.3 60.6 1.0 C5B A:PLC402 4.5 0.9 1.0 SD A:MET205 4.6 73.8 1.0 CD1 A:ILE202 4.6 69.8 1.0 CG1 A:ILE258 4.7 63.8 1.0 C4B A:PLC402 4.9 0.6 1.0 O A:ILE202 4.9 66.3 1.0

Bromine binding site 8 out of 45 in the The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform within 5.0Å range: probe atom residue distance (Å) B Occ A:Br414 b:0.8 occ:0.56 BR3 A:MBR414 0.0 0.8 0.6 BR2 A:MBR414 0.9 0.3 0.4 C1 A:MBR414 2.0 0.5 0.6 C1 A:MBR414 2.2 0.1 0.4 BR3 A:MBR414 2.8 0.7 0.4 BR2 A:MBR414 3.1 0.7 0.6 BR1 A:MBR414 3.2 0.9 0.6 CG2 A:THR255 3.3 67.4 1.0 BR1 A:MBR414 3.7 0.3 0.4 CG1 A:ILE202 3.7 63.7 1.0 CG2 A:ILE201 3.7 63.0 1.0 OG1 A:THR255 3.7 72.2 1.0 CB A:THR255 4.0 68.1 1.0 CD1 A:ILE202 4.4 69.8 1.0 CA A:THR255 4.5 58.2 1.0 CD1 A:ILE259 4.7 66.6 1.0 CA A:ILE202 4.8 60.6 1.0 N A:ILE202 4.8 60.3 1.0 SD A:MET205 4.8 73.8 1.0 CB A:ILE201 4.8 62.9 1.0 CB A:ILE202 4.9 64.0 1.0 CE A:MET205 4.9 69.7 1.0 CG1 A:ILE259 5.0 62.1 1.0

Bromine binding site 9 out of 45 in the The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform within 5.0Å range: probe atom residue distance (Å) B Occ A:Br414 b:0.7 occ:0.44 BR3 A:MBR414 0.0 0.7 0.4 C1 A:MBR414 2.0 0.1 0.4 BR3 A:MBR414 2.8 0.8 0.6 BR1 A:MBR414 3.2 0.3 0.4 BR2 A:MBR414 3.2 0.3 0.4 C1 A:MBR414 3.2 0.5 0.6 OG1 A:THR255 3.3 72.2 1.0 CD1 A:ILE258 3.7 70.3 1.0 CD1 A:ILE202 3.8 69.8 1.0 CG1 A:ILE202 3.8 63.7 1.0 CA A:THR255 4.1 58.2 1.0 CB A:THR255 4.1 68.1 1.0 CD A:PRO120 4.2 54.2 1.0 CE1 A:TYR254 4.2 67.0 1.0 CD1 A:TYR254 4.4 64.9 1.0 CG2 A:THR255 4.4 67.4 1.0 CE2 A:PHE121 4.4 63.1 1.0 BR1 A:MBR414 4.6 0.9 0.6 N A:THR255 4.7 58.8 1.0 BR2 A:MBR414 4.7 0.7 0.6 C4B A:PLC402 4.9 0.6 1.0 CG1 A:ILE258 4.9 63.8 1.0 CG A:PRO120 4.9 58.5 1.0 CB A:ILE258 5.0 63.2 1.0

Bromine binding site 10 out of 45 in the The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform within 5.0Å range: probe atom residue distance (Å) B Occ B:Br410 b:0.3 occ:0.75 BR2 B:MBR410 0.0 0.3 0.8 C1 B:MBR410 1.9 0.5 0.8 ND2 B:ASN245 3.0 0.3 1.0 BR3 B:MBR410 3.1 0.4 0.8 BR1 B:MBR410 3.1 1.0 0.8 CG B:LEU241 3.3 58.1 1.0 O B:LEU241 3.4 59.1 1.0 CD1 B:ILE201 3.6 70.9 1.0 CG B:ASN245 3.6 0.4 1.0 C B:LEU241 3.8 59.1 1.0 CD1 B:LEU241 3.8 58.8 1.0 CD2 B:LEU241 4.0 60.6 1.0 CA B:VAL242 4.1 55.6 1.0 N B:VAL242 4.1 56.0 1.0 OD1 B:ASN245 4.2 0.3 1.0 CB B:LEU241 4.4 53.6 1.0 CB B:ASN245 4.4 75.2 1.0 CG1 B:ILE201 4.5 61.1 1.0 OE2 C:GLU243 4.5 0.7 1.0 CA B:LEU241 4.6 53.8 1.0 CG2 B:VAL242 4.7 57.9 1.0 NZ C:LYS248 4.9 98.2 1.0 O B:VAL242 5.0 61.5 1.0 C B:VAL242 5.0 62.4 1.0

L.Sauguet, R.J.Howard, L.Malherbe, U.S.Lee, P.J.Corringer, R.A.Harris, M.Delarue. Structural Basis For Potentiation By Alcohols and Anaesthetics in A Ligand-Gated Ion Channel. Nat Commun V. 4 1697 2013.
ISSN: ESSN 2041-1723
PubMed: 23591864
DOI: 10.1038/NCOMMS2682