Bromine in PDB 7ref: Structure of MS3494 From Mycobacterium Smegmatis

The structure of Structure of MS3494 From Mycobacterium Smegmatis, PDB code: 7ref was solved by J.E.Kent, A.E.Aleshin, L.Zhang, M.Niederweis, F.M.Marassi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.48 / 2.10
Space group	P 6
Cell size a, b, c (Å), α, β, γ (°)	98.828, 98.828, 45.477, 90, 90, 120
R / Rfree (%)	15.4 / 19.9

Pages:

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

Binding sites:

The binding sites of Bromine atom in the Structure of MS3494 From Mycobacterium Smegmatis (pdb code 7ref). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 11 binding sites of Bromine where determined in the Structure of MS3494 From Mycobacterium Smegmatis, PDB code: 7ref:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 11 in the Structure of MS3494 From Mycobacterium Smegmatis


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Structure of MS3494 From Mycobacterium Smegmatis within 5.0Å range: probe atom residue distance (Å) B Occ A:Br201 b:44.9 occ:1.00 CB A:ASP37 3.9 26.6 1.0 CD A:LYS130 4.3 40.1 1.0 O A:ASP37 4.4 23.7 1.0 C A:ASP37 4.4 25.2 1.0 CB A:TYR38 4.5 27.4 1.0 O A:HOH303 4.7 19.7 1.0 N A:TYR38 4.7 27.3 1.0 NZ A:LYS130 4.8 49.0 1.0 CA A:ASP37 4.8 26.4 1.0 CE A:LYS130 4.8 46.4 1.0 O A:HOH393 5.0 38.1 1.0

Bromine binding site 2 out of 11 in the Structure of MS3494 From Mycobacterium Smegmatis


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Structure of MS3494 From Mycobacterium Smegmatis within 5.0Å range: probe atom residue distance (Å) B Occ A:Br202 b:53.5 occ:1.00 N A:ASP95 3.2 31.7 1.0 N A:GLY98 3.7 25.5 1.0 CA A:GLY98 3.8 26.1 1.0 CB A:MET94 3.8 29.5 1.0 CA A:MET94 3.9 31.4 1.0 CB A:ASP95 3.9 38.7 1.0 CA A:ASP95 4.0 33.3 1.0 C A:MET94 4.1 34.0 1.0 O A:ASP95 4.1 35.2 1.0 CG A:MET94 4.3 31.0 1.0 C A:ASP95 4.4 34.0 1.0 CG A:ASP95 4.6 43.7 1.0 SD A:MET94 4.8 29.1 1.0 OD2 A:ASP95 4.8 49.3 1.0 C A:ALA97 4.8 29.0 1.0 CB A:ALA97 4.9 33.2 1.0

Bromine binding site 3 out of 11 in the Structure of MS3494 From Mycobacterium Smegmatis


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Structure of MS3494 From Mycobacterium Smegmatis within 5.0Å range: probe atom residue distance (Å) B Occ A:Br203 b:36.4 occ:1.00 O A:HOH334 3.0 19.3 1.0 O A:HOH384 3.1 32.4 1.0 ND2 A:ASN105 3.5 22.4 1.0 CA A:TYR102 3.9 23.8 1.0 CE2 A:PHE112 3.9 27.8 1.0 CZ A:PHE112 3.9 27.7 1.0 CD1 A:TYR102 4.0 24.0 1.0 CB A:TYR102 4.0 25.9 1.0 N A:TYR102 4.1 23.6 1.0 CH2 A:TRP90 4.3 22.3 1.0 OE1 A:GLN101 4.4 28.8 0.5 CG A:TYR102 4.5 24.3 1.0 CG A:ASN105 4.5 23.0 1.0 C A:GLN101 4.6 24.6 0.5 C A:GLN101 4.6 24.4 0.5 CG A:GLN101 4.6 30.1 0.5 CZ2 A:TRP90 4.6 21.9 1.0 CG A:GLN101 4.7 28.9 0.5 CB A:ASN105 4.7 22.6 1.0 O A:GLN101 4.8 26.3 0.5 O A:GLN101 4.8 26.6 0.5 CD A:GLN101 4.9 29.5 0.5 CB A:GLN101 5.0 27.3 0.5 CB A:GLN101 5.0 26.6 0.5

Bromine binding site 4 out of 11 in the Structure of MS3494 From Mycobacterium Smegmatis


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Structure of MS3494 From Mycobacterium Smegmatis within 5.0Å range: probe atom residue distance (Å) B Occ A:Br204 b:27.6 occ:1.00 O A:HOH309 3.1 16.7 1.0 CD A:PRO120 3.5 14.6 1.0 ND2 A:ASN121 3.6 20.1 1.0 N A:ASN121 3.6 15.4 1.0 O A:HOH332 3.6 23.9 1.0 CB A:ASN121 3.7 18.9 1.0 CD1 A:TRP119 3.7 15.5 1.0 CG A:ASN121 3.9 19.5 1.0 N A:PRO120 3.9 14.4 1.0 CB A:PRO120 4.0 14.8 1.0 CG A:PRO120 4.1 15.2 1.0 NE1 A:TRP119 4.1 14.2 1.0 CA A:ASN121 4.3 16.0 1.0 CA A:PRO120 4.4 15.3 1.0 C A:PRO120 4.4 14.2 1.0 OD2 A:ASP72 4.5 17.2 1.0 C A:TRP119 4.6 15.1 1.0 OD1 A:ASN121 4.7 22.1 1.0 CA A:TRP119 5.0 16.0 1.0 CG A:TRP119 5.0 14.7 1.0

Bromine binding site 5 out of 11 in the Structure of MS3494 From Mycobacterium Smegmatis


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Structure of MS3494 From Mycobacterium Smegmatis within 5.0Å range: probe atom residue distance (Å) B Occ A:Br205 b:44.4 occ:1.00 O B:HOH374 3.3 33.6 1.0 CB B:ASN152 3.8 18.1 1.0 CB A:ASP86 3.9 20.1 1.0 O A:ASP86 4.0 18.8 1.0 C A:ASP86 4.0 17.9 1.0 CD A:ARG87 4.0 17.9 1.0 N B:TRP153 4.0 25.4 1.0 C B:ASN152 4.1 21.8 1.0 CA A:ARG87 4.1 17.2 1.0 N A:ARG87 4.1 17.2 1.0 CB B:ASP154 4.2 56.0 1.0 O A:HOH356 4.2 21.0 1.0 CB A:TRP90 4.2 21.4 1.0 O B:ASN152 4.3 21.1 1.0 NH1 A:ARG87 4.3 17.0 1.0 CA B:TRP153 4.3 31.9 1.0 N B:ASP154 4.3 44.5 1.0 C B:TRP153 4.4 34.8 1.0 O A:HOH390 4.5 39.8 1.0 CA B:ASN152 4.5 19.0 1.0 O A:HOH328 4.6 28.6 1.0 CA A:ASP86 4.6 18.5 1.0 CB A:ARG87 4.6 17.8 1.0 CG A:TRP90 4.7 21.0 1.0 CG B:ASN152 4.8 17.4 1.0 CA B:ASP154 4.9 51.5 1.0 CG A:ARG87 4.9 17.5 1.0

Bromine binding site 6 out of 11 in the Structure of MS3494 From Mycobacterium Smegmatis


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Structure of MS3494 From Mycobacterium Smegmatis within 5.0Å range: probe atom residue distance (Å) B Occ A:Br206 b:44.8 occ:1.00 O A:HOH366 2.8 40.3 1.0 O A:HOH345 3.4 17.5 1.0 CA A:LYS124 3.8 18.6 1.0 CB A:PHE127 3.9 16.1 1.0 N A:ASN128 4.0 23.3 1.0 CA A:ASN128 4.0 23.1 1.0 C A:PHE127 4.1 20.9 1.0 N A:LYS124 4.2 17.4 1.0 O A:ALA123 4.4 15.6 1.0 O A:PHE127 4.4 22.6 1.0 C A:ALA123 4.4 15.6 1.0 OD1 A:ASN121 4.4 22.1 1.0 CB A:LYS124 4.4 20.1 1.0 CB A:ASN128 4.5 23.2 1.0 CA A:PHE127 4.6 18.5 1.0 O A:LYS124 4.7 15.1 1.0 CG A:LYS124 4.7 22.3 1.0 O A:HOH383 4.8 44.5 1.0 C A:LYS124 4.8 16.8 1.0 ND2 A:ASN128 4.9 23.7 1.0 N A:PHE127 4.9 18.1 1.0

Bromine binding site 7 out of 11 in the Structure of MS3494 From Mycobacterium Smegmatis


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Structure of MS3494 From Mycobacterium Smegmatis within 5.0Å range: probe atom residue distance (Å) B Occ B:Br201 b:60.8 occ:1.00 CE B:MET118 3.3 49.0 1.0 CD B:PRO77 3.8 24.3 1.0 CG2 B:VAL80 3.9 21.0 1.0 CG B:PRO77 4.3 23.8 1.0 O B:MET118 4.3 33.2 1.0 CD B:LYS76 4.4 25.0 1.0 CG1 B:VAL80 4.7 18.1 1.0 CB B:VAL80 4.7 19.0 1.0 CB B:MET118 4.8 41.9 1.0 C B:MET118 4.9 33.4 1.0 SD B:MET118 5.0 54.5 1.0

Bromine binding site 8 out of 11 in the Structure of MS3494 From Mycobacterium Smegmatis


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Structure of MS3494 From Mycobacterium Smegmatis within 5.0Å range: probe atom residue distance (Å) B Occ B:Br202 b:44.4 occ:1.00 O B:HOH357 3.0 20.1 1.0 CA B:LYS124 3.7 19.0 1.0 O B:HOH350 3.9 47.4 1.0 CB B:ASN128 4.0 28.6 1.0 CB B:PHE127 4.0 22.0 1.0 CA B:ASN128 4.1 26.4 1.0 N B:ASN128 4.1 25.0 1.0 N B:LYS124 4.1 18.7 1.0 OD1 B:ASN128 4.2 29.9 1.0 C B:ALA123 4.2 17.3 1.0 O B:ALA123 4.3 16.7 1.0 C B:PHE127 4.3 22.9 1.0 CB B:LYS124 4.4 21.0 1.0 CG B:ASN128 4.5 30.2 1.0 CA B:PHE127 4.6 22.1 1.0 O B:PHE127 4.7 26.7 1.0 CG B:LYS124 4.7 23.7 1.0 O B:LYS124 4.7 17.4 1.0 C B:LYS124 4.7 18.6 1.0 O B:PRO120 4.9 19.1 1.0 OD1 B:ASN121 4.9 28.5 1.0 N B:PHE127 5.0 18.7 1.0

Bromine binding site 9 out of 11 in the Structure of MS3494 From Mycobacterium Smegmatis


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of Structure of MS3494 From Mycobacterium Smegmatis within 5.0Å range: probe atom residue distance (Å) B Occ B:Br203 b:66.1 occ:0.33 NH1 B:ARG68 3.1 32.7 1.0 CD B:ARG68 4.0 28.7 1.0 CG1 B:VAL64 4.1 27.2 1.0 CZ B:ARG68 4.2 32.1 1.0 CG B:ARG68 4.4 24.2 1.0 NE B:ARG68 4.5 32.2 1.0

Bromine binding site 10 out of 11 in the Structure of MS3494 From Mycobacterium Smegmatis


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of Structure of MS3494 From Mycobacterium Smegmatis within 5.0Å range: probe atom residue distance (Å) B Occ B:Br204 b:42.0 occ:1.00 O B:HOH340 2.9 25.9 1.0 CD B:PRO120 3.3 23.0 1.0 O B:HOH378 3.4 40.4 1.0 ND2 B:ASN121 3.4 26.1 1.0 N B:ASN121 3.5 20.2 1.0 CD1 B:TRP119 3.6 21.6 1.0 CG B:ASN121 3.7 28.0 1.0 N B:PRO120 3.7 24.0 1.0 CB B:PRO120 3.7 24.4 1.0 CB B:ASN121 3.8 22.0 1.0 CG B:PRO120 3.9 23.2 1.0 O B:HOH307 4.0 32.5 1.0 NE1 B:TRP119 4.1 21.2 1.0 CA B:PRO120 4.2 21.7 1.0 C B:PRO120 4.3 20.1 1.0 CA B:ASN121 4.3 20.7 1.0 C B:TRP119 4.4 22.7 1.0 OD1 B:ASN121 4.4 28.5 1.0 OD2 B:ASP72 4.7 22.1 1.0 CA B:TRP119 4.7 23.4 1.0 CG B:TRP119 4.8 21.3 1.0

J.E.Kent, A.E.Aleshin, F.M.Marassi. Structure of MS3494 From Mycobacterium Smegmatis To Be Published.