Bromine in PDB 5mzq: X-Ray Structure of the M205W Mutant of Glic in Complex with Bromoform

The structure of X-Ray Structure of the M205W Mutant of Glic in Complex with Bromoform, PDB code: 5mzq was solved by Z.Fourati, M.Delarue, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.84 / 2.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	181.969, 131.779, 160.404, 90.00, 102.93, 90.00
R / Rfree (%)	20.2 / 21.9

The structure of X-Ray Structure of the M205W Mutant of Glic in Complex with Bromoform also contains other interesting chemical elements:

Chlorine	(Cl)	7 atoms
Sodium	(Na)	6 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 15;

Binding sites:

The binding sites of Bromine atom in the X-Ray Structure of the M205W Mutant of Glic in Complex with Bromoform (pdb code 5mzq). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 15 binding sites of Bromine where determined in the X-Ray Structure of the M205W Mutant of Glic in Complex with Bromoform, PDB code: 5mzq:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 15 in the X-Ray Structure of the M205W Mutant of Glic 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 the M205W Mutant of Glic in Complex with Bromoform within 5.0Å range: probe atom residue distance (Å) B Occ A:Br411 b:0.1 occ:1.00 BR2 A:MBR411 0.0 0.1 1.0 O A:HOH580 1.7 34.0 1.0 C1 A:MBR411 1.9 0.7 1.0 BR1 A:MBR411 3.2 0.3 1.0 BR3 A:MBR411 3.2 0.1 1.0 CG A:PRO120 3.9 45.6 1.0 CG2 A:ILE201 3.9 52.0 1.0 CD A:PRO120 4.1 41.1 1.0 OG1 A:THR255 4.2 60.8 1.0 CG2 A:THR255 4.2 55.2 1.0 CD1 A:TYR197 4.3 62.1 1.0 CG1 A:ILE202 4.3 51.2 1.0 CB A:ILE201 4.7 51.6 1.0 CB A:TYR197 4.8 58.3 1.0 CB A:THR255 4.8 56.5 1.0 CD1 A:ILE202 4.8 58.1 1.0 CG A:TYR197 5.0 60.0 1.0

Bromine binding site 2 out of 15 in the X-Ray Structure of the M205W Mutant of Glic 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 the M205W Mutant of Glic in Complex with Bromoform within 5.0Å range: probe atom residue distance (Å) B Occ A:Br411 b:0.3 occ:1.00 BR1 A:MBR411 0.0 0.3 1.0 C1 A:MBR411 1.9 0.7 1.0 BR2 A:MBR411 3.2 0.1 1.0 BR3 A:MBR411 3.2 0.1 1.0 CG1 A:ILE202 3.9 51.2 1.0 CD1 A:ILE202 3.9 58.1 1.0 CD1 A:ILE258 4.1 46.4 1.0 CE2 A:PHE121 4.1 55.1 1.0 CD A:PRO120 4.2 41.1 1.0 OG1 A:THR255 4.4 60.8 1.0 CE1 A:TYR254 4.5 54.6 1.0 C13 A:PC8402 4.5 0.3 1.0 CZ A:PHE121 4.6 53.2 1.0 CG A:PRO120 4.7 45.6 1.0 C15 A:PC8402 4.7 0.1 1.0 O A:HOH580 4.7 34.0 1.0 CD1 A:TYR254 4.9 53.2 1.0

Bromine binding site 3 out of 15 in the X-Ray Structure of the M205W Mutant of Glic 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 the M205W Mutant of Glic in Complex with Bromoform within 5.0Å range: probe atom residue distance (Å) B Occ A:Br411 b:0.1 occ:1.00 BR3 A:MBR411 0.0 0.1 1.0 C1 A:MBR411 1.9 0.7 1.0 BR2 A:MBR411 3.2 0.1 1.0 BR1 A:MBR411 3.2 0.3 1.0 CE3 A:TRP205 4.0 57.7 1.0 CZ3 A:TRP205 4.1 59.0 1.0 CG2 A:THR255 4.1 55.2 1.0 O A:HOH580 4.4 34.0 1.0 CG2 A:ILE258 4.4 47.5 1.0 CG2 A:ILE201 4.7 52.0 1.0 CD2 A:TRP205 4.8 56.7 1.0 CD1 A:ILE258 4.8 46.4 1.0 CH2 A:TRP205 4.9 59.8 1.0 CG1 A:ILE202 4.9 51.2 1.0 CB A:ILE258 4.9 46.1 1.0 OG1 A:THR255 4.9 60.8 1.0 CB A:THR255 4.9 56.5 1.0

Bromine binding site 4 out of 15 in the X-Ray Structure of the M205W Mutant of Glic 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 the M205W Mutant of Glic in Complex with Bromoform within 5.0Å range: probe atom residue distance (Å) B Occ B:Br409 b:0.1 occ:1.00 BR2 B:MBR409 0.0 0.1 1.0 C1 B:MBR409 1.9 0.9 1.0 BR1 B:MBR409 3.2 0.1 1.0 BR3 B:MBR409 3.2 0.1 1.0 CD1 B:ILE258 3.7 55.5 1.0 OG1 B:THR255 3.9 55.9 1.0 CE1 B:TYR254 4.0 59.4 1.0 CD B:PRO120 4.1 42.8 1.0 CE2 B:PHE121 4.2 54.4 1.0 CD1 B:TYR254 4.3 58.0 1.0 CG1 B:ILE202 4.5 50.7 1.0 CD1 B:ILE202 4.6 56.3 1.0 CA B:THR255 4.7 46.1 1.0 C13 B:PC8402 4.7 0.0 1.0 CB B:THR255 4.7 51.6 1.0 C15 B:PC8402 4.8 99.0 1.0 CG2 B:THR255 4.8 50.3 1.0 CG B:PRO120 4.8 47.1 1.0 CZ B:PHE121 4.8 52.7 1.0 CZ B:TYR254 5.0 63.4 1.0

Bromine binding site 5 out of 15 in the X-Ray Structure of the M205W Mutant of Glic 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 the M205W Mutant of Glic in Complex with Bromoform within 5.0Å range: probe atom residue distance (Å) B Occ B:Br409 b:0.1 occ:1.00 BR1 B:MBR409 0.0 0.1 1.0 C1 B:MBR409 1.9 0.9 1.0 O B:HOH585 2.4 56.6 1.0 BR3 B:MBR409 3.2 0.1 1.0 BR2 B:MBR409 3.2 0.1 1.0 CG2 B:THR255 4.0 50.3 1.0 CG B:PRO120 4.0 47.1 1.0 OG1 B:THR255 4.0 55.9 1.0 CD B:PRO120 4.1 42.8 1.0 CG2 B:ILE201 4.2 53.2 1.0 CG1 B:ILE202 4.3 50.7 1.0 CD1 B:TYR197 4.5 64.1 1.0 CB B:THR255 4.6 51.6 1.0 CD1 B:ILE202 4.8 56.3 1.0 CB B:ILE201 5.0 53.2 1.0

Bromine binding site 6 out of 15 in the X-Ray Structure of the M205W Mutant of Glic 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 the M205W Mutant of Glic in Complex with Bromoform within 5.0Å range: probe atom residue distance (Å) B Occ B:Br409 b:0.1 occ:1.00 BR3 B:MBR409 0.0 0.1 1.0 C1 B:MBR409 1.9 0.9 1.0 BR1 B:MBR409 3.2 0.1 1.0 BR2 B:MBR409 3.2 0.1 1.0 CG2 B:THR255 4.0 50.3 1.0 CG2 B:ILE258 4.0 53.0 1.0 CE3 B:TRP205 4.2 54.9 1.0 CZ3 B:TRP205 4.2 56.4 1.0 CB B:ILE258 4.6 51.3 1.0 CD1 B:ILE258 4.7 55.5 1.0 CG1 B:ILE259 4.8 49.1 1.0 CB B:THR255 4.8 51.6 1.0 CA B:THR255 4.9 46.1 1.0 O B:THR255 4.9 48.1 1.0 OG1 B:THR255 4.9 55.9 1.0 CH2 B:TRP205 4.9 57.0 1.0 CD2 B:TRP205 4.9 53.5 1.0 O B:HOH585 4.9 56.6 1.0 CG2 B:ILE201 5.0 53.2 1.0

Bromine binding site 7 out of 15 in the X-Ray Structure of the M205W Mutant of Glic 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 the M205W Mutant of Glic in Complex with Bromoform within 5.0Å range: probe atom residue distance (Å) B Occ C:Br410 b:0.9 occ:1.00 BR2 C:MBR410 0.0 0.9 1.0 C1 C:MBR410 1.9 0.9 1.0 O C:HOH576 2.8 48.7 1.0 BR3 C:MBR410 3.2 0.5 1.0 BR1 C:MBR410 3.2 0.4 1.0 CG1 C:ILE202 3.6 48.9 1.0 CG2 C:ILE201 3.9 54.1 1.0 CD1 C:ILE202 4.1 52.0 1.0 CG C:PRO120 4.3 44.2 1.0 CD C:PRO120 4.5 39.7 1.0 CG2 C:THR255 4.5 49.8 1.0 CB C:ILE201 4.6 53.5 1.0 CD1 C:TYR197 4.6 61.3 1.0 OG1 C:THR255 4.6 59.0 1.0 CB C:TYR197 4.8 57.0 1.0 N C:ILE202 4.8 48.7 1.0 CB C:ILE202 4.9 50.1 1.0

Bromine binding site 8 out of 15 in the X-Ray Structure of the M205W Mutant of Glic 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 the M205W Mutant of Glic in Complex with Bromoform within 5.0Å range: probe atom residue distance (Å) B Occ C:Br410 b:0.4 occ:1.00 BR1 C:MBR410 0.0 0.4 1.0 C1 C:MBR410 1.9 0.9 1.0 BR2 C:MBR410 3.2 0.9 1.0 BR3 C:MBR410 3.2 0.5 1.0 CG2 C:ILE258 3.8 52.7 1.0 CG2 C:THR255 3.9 49.8 1.0 CZ3 C:TRP205 4.2 55.0 1.0 CE3 C:TRP205 4.3 53.6 1.0 CB C:ILE258 4.3 50.8 1.0 CD1 C:ILE258 4.5 58.2 1.0 O C:THR255 4.7 46.6 1.0 CG1 C:ILE259 4.7 49.6 1.0 CB C:THR255 4.7 52.7 1.0 CA C:THR255 4.7 45.1 1.0 OG1 C:THR255 4.8 59.0 1.0 CH2 C:TRP205 4.9 55.8 1.0 O C:HOH576 4.9 48.7 1.0 CD2 C:TRP205 5.0 52.2 1.0

Bromine binding site 9 out of 15 in the X-Ray Structure of the M205W Mutant of Glic 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 the M205W Mutant of Glic in Complex with Bromoform within 5.0Å range: probe atom residue distance (Å) B Occ C:Br410 b:0.5 occ:1.00 BR3 C:MBR410 0.0 0.5 1.0 C1 C:MBR410 1.9 0.9 1.0 BR2 C:MBR410 3.2 0.9 1.0 BR1 C:MBR410 3.2 0.4 1.0 OG1 C:THR255 3.4 59.0 1.0 CD1 C:ILE258 3.7 58.2 1.0 CE1 C:TYR254 3.8 52.3 1.0 CD C:PRO120 3.8 39.7 1.0 CD1 C:TYR254 4.0 51.7 1.0 CB C:THR255 4.1 52.7 1.0 CA C:THR255 4.2 45.1 1.0 CG2 C:THR255 4.3 49.8 1.0 CE2 C:PHE121 4.4 49.5 1.0 CG C:PRO120 4.6 44.2 1.0 N C:THR255 4.7 47.0 1.0 O C:TYR119 4.7 42.4 1.0 CZ C:TYR254 4.8 54.9 1.0 CG1 C:ILE258 4.9 51.7 1.0

Bromine binding site 10 out of 15 in the X-Ray Structure of the M205W Mutant of Glic 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 the M205W Mutant of Glic in Complex with Bromoform within 5.0Å range: probe atom residue distance (Å) B Occ D:Br410 b:0.9 occ:1.00 BR2 D:MBR410 0.0 0.9 1.0 C1 D:MBR410 1.9 0.8 1.0 O D:HOH580 2.0 77.0 1.0 BR1 D:MBR410 3.2 0.7 1.0 BR3 D:MBR410 3.2 0.8 1.0 CG D:PRO120 3.7 45.0 1.0 OG1 D:THR255 3.7 53.9 1.0 CD D:PRO120 3.8 40.6 1.0 CG2 D:THR255 3.9 51.6 1.0 CG2 D:ILE201 4.4 56.1 1.0 CD1 D:TYR197 4.4 62.3 1.0 CG1 D:ILE202 4.4 50.5 1.0 CB D:THR255 4.4 51.6 1.0 CB D:PRO120 4.8 40.5 1.0 CD1 D:ILE202 4.8 59.1 1.0 CE1 D:TYR119 4.9 48.1 1.0 N D:PRO120 5.0 39.9 1.0 CB D:TYR197 5.0 58.4 1.0

Z.Fourati, R.J.Howard, S.A.Heusser, H.Hu, R.R.Ruza, L.Sauguet, E.Lindahl, M.Delarue. Structural Basis For A Bimodal Allosteric Mechanism of General Anesthetic Modulation in Pentameric Ligand-Gated Ion Channels. Cell Rep V. 23 993 2018.
ISSN: ESSN 2211-1247
PubMed: 29694907
DOI: 10.1016/J.CELREP.2018.03.108