Bromine in PDB 6nqn: Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Bry)

The structure of Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Bry), PDB code: 6nqn was solved by C.-Y.Lin, M.G.Romei, I.I.Mathews, S.G.Boxer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.61 / 2.10
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	71.390, 79.490, 85.650, 89.92, 92.40, 94.89
R / Rfree (%)	17.2 / 20.4

The binding sites of Bromine atom in the Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Bry) (pdb code 6nqn). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 8 binding sites of Bromine where determined in the Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Bry), PDB code: 6nqn:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Bromine binding site 1 out of 8 in the Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Bry)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Bry) within 5.0Å range: probe atom residue distance (Å) B Occ A:Br63 b:50.2 occ:1.00 BR A:KZ463 0.0 50.2 1.0 CE1 A:KZ463 1.9 34.9 1.0 CZ A:KZ463 2.8 27.0 1.0 CD1 A:KZ463 2.9 28.9 1.0 OH A:KZ463 3.0 24.7 1.0 OG A:SER142 3.2 31.9 1.0 CG1 A:VAL157 3.6 28.3 1.0 CE2 A:PHE173 3.6 35.6 1.0 O A:HOH316 3.7 33.2 1.0 CD2 A:PHE173 3.8 33.0 1.0 CB A:SER142 3.8 30.8 1.0 CG2 A:THR159 4.0 26.8 1.0 CE2 A:KZ463 4.2 24.6 1.0 CG2 A:KZ463 4.2 33.4 1.0 CZ A:PHE173 4.4 35.1 1.0 CG2 A:VAL157 4.4 31.3 1.0 CB A:THR159 4.4 28.6 1.0 CB A:VAL157 4.6 32.0 1.0 CD2 A:HIS193 4.6 24.6 1.0 CG A:PHE173 4.7 26.9 1.0 CD2 A:KZ463 4.7 31.7 1.0 OG1 A:THR159 4.7 27.7 1.0 CG A:HIS193 4.9 27.1 1.0 CG2 A:THR59 5.0 23.3 1.0

Bromine binding site 2 out of 8 in the Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Bry)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Bry) within 5.0Å range: probe atom residue distance (Å) B Occ B:Br63 b:50.5 occ:1.00 BR B:KZ463 0.0 50.5 1.0 CE1 B:KZ463 1.9 40.8 1.0 CZ B:KZ463 2.9 35.6 1.0 CD1 B:KZ463 2.9 25.9 1.0 OH B:KZ463 3.0 24.4 1.0 OG B:SER142 3.2 27.0 1.0 CG1 B:VAL157 3.6 28.6 1.0 CE2 B:PHE173 3.7 30.5 1.0 O B:HOH314 3.7 26.1 1.0 CD2 B:PHE173 3.9 33.6 1.0 CB B:SER142 3.9 27.9 1.0 CE2 B:KZ463 4.2 27.9 1.0 CG2 B:KZ463 4.2 25.4 1.0 CG2 B:THR159 4.3 27.1 1.0 CG2 B:VAL157 4.4 30.5 1.0 CZ B:PHE173 4.4 24.1 1.0 CD2 B:HIS193 4.6 25.8 1.0 CB B:THR159 4.6 30.6 1.0 CB B:VAL157 4.6 30.2 1.0 CG B:PHE173 4.6 26.6 1.0 CD2 B:KZ463 4.7 30.5 1.0 CG B:HIS193 4.9 21.9 1.0

Bromine binding site 3 out of 8 in the Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Bry)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Bry) within 5.0Å range: probe atom residue distance (Å) B Occ C:Br63 b:48.4 occ:1.00 BR C:KZ463 0.0 48.4 1.0 CE1 C:KZ463 1.9 24.7 1.0 CZ C:KZ463 2.9 25.4 1.0 CD1 C:KZ463 2.9 21.9 1.0 OH C:KZ463 3.0 24.3 1.0 OG C:SER142 3.1 32.7 1.0 CG1 C:VAL157 3.5 34.6 1.0 CE2 C:PHE173 3.6 37.0 1.0 O C:HOH309 3.7 24.7 1.0 CD2 C:PHE173 3.8 35.4 1.0 CB C:SER142 3.9 21.5 1.0 CG2 C:THR159 4.1 24.6 1.0 CE2 C:KZ463 4.2 25.0 1.0 CG2 C:KZ463 4.2 27.1 1.0 CZ C:PHE173 4.4 40.6 1.0 CG2 C:VAL157 4.4 30.2 1.0 CB C:THR159 4.5 26.7 1.0 CD2 C:HIS193 4.5 28.6 1.0 CB C:VAL157 4.5 29.7 1.0 CG C:PHE173 4.7 27.8 1.0 CD2 C:KZ463 4.7 32.6 1.0 OG1 C:THR159 4.8 33.8 1.0 CG C:HIS193 4.8 27.8 1.0 O C:HOH424 4.9 40.5 1.0 CG2 C:THR59 5.0 25.5 1.0

Bromine binding site 4 out of 8 in the Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Bry)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Bry) within 5.0Å range: probe atom residue distance (Å) B Occ D:Br63 b:53.0 occ:1.00 BR D:KZ463 0.0 53.0 1.0 CE1 D:KZ463 1.9 30.8 1.0 CZ D:KZ463 2.9 26.1 1.0 CD1 D:KZ463 2.9 25.0 1.0 OH D:KZ463 3.0 26.6 1.0 OG D:SER142 3.2 32.0 1.0 CG1 D:VAL157 3.5 27.0 1.0 CE2 D:PHE173 3.6 36.2 1.0 O D:HOH316 3.8 35.0 1.0 CD2 D:PHE173 3.8 36.1 1.0 CB D:SER142 3.8 24.9 1.0 CG2 D:THR159 4.1 28.0 1.0 CE2 D:KZ463 4.2 27.6 1.0 CG2 D:KZ463 4.2 31.5 1.0 CG2 D:VAL157 4.3 36.4 1.0 CZ D:PHE173 4.4 31.3 1.0 CB D:VAL157 4.5 36.0 1.0 CD2 D:HIS193 4.5 33.5 1.0 CB D:THR159 4.5 26.1 1.0 CG D:PHE173 4.6 28.4 1.0 CD2 D:KZ463 4.7 28.0 1.0 CG D:HIS193 4.8 30.8 1.0 OG1 D:THR159 4.9 27.5 1.0

Bromine binding site 5 out of 8 in the Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Bry)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Bry) within 5.0Å range: probe atom residue distance (Å) B Occ E:Br63 b:53.2 occ:1.00 BR E:KZ463 0.0 53.2 1.0 CE1 E:KZ463 1.9 32.1 1.0 CZ E:KZ463 2.9 31.6 1.0 CD1 E:KZ463 2.9 28.1 1.0 OH E:KZ463 3.0 22.9 1.0 OG E:SER142 3.2 35.4 1.0 CG1 E:VAL157 3.5 26.1 1.0 CE2 E:PHE173 3.7 34.5 1.0 CB E:SER142 3.8 32.7 1.0 CD2 E:PHE173 3.8 36.4 1.0 O E:HOH322 3.9 25.8 1.0 CG2 E:THR159 4.1 22.0 1.0 CE2 E:KZ463 4.2 30.3 1.0 CG2 E:KZ463 4.2 29.0 1.0 CG2 E:VAL157 4.3 41.7 1.0 CZ E:PHE173 4.4 25.4 1.0 CD2 E:HIS193 4.5 30.4 1.0 CB E:VAL157 4.5 34.3 1.0 CB E:THR159 4.6 26.8 1.0 CG E:PHE173 4.6 31.3 1.0 CD2 E:KZ463 4.7 30.9 1.0 CG E:HIS193 4.9 27.5 1.0 OG1 E:THR159 4.9 28.0 1.0

Bromine binding site 6 out of 8 in the Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Bry)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Bry) within 5.0Å range: probe atom residue distance (Å) B Occ F:Br63 b:54.5 occ:1.00 BR F:KZ463 0.0 54.5 1.0 CE1 F:KZ463 1.9 35.1 1.0 CZ F:KZ463 2.9 32.6 1.0 CD1 F:KZ463 2.9 30.1 1.0 OH F:KZ463 3.0 23.4 1.0 OG F:SER142 3.2 31.3 1.0 CG1 F:VAL157 3.6 27.2 1.0 CE2 F:PHE173 3.7 34.6 1.0 O F:HOH318 3.7 23.0 1.0 CD2 F:PHE173 3.8 36.4 1.0 CB F:SER142 3.9 29.9 1.0 CG2 F:THR159 4.1 24.1 1.0 CE2 F:KZ463 4.2 32.1 1.0 CG2 F:KZ463 4.2 29.8 1.0 CG2 F:VAL157 4.3 37.2 1.0 CZ F:PHE173 4.4 29.9 1.0 CD2 F:HIS193 4.5 31.3 1.0 CB F:VAL157 4.5 32.4 1.0 CB F:THR159 4.6 29.6 1.0 CG F:PHE173 4.6 31.0 1.0 CD2 F:KZ463 4.7 25.7 1.0 CG F:HIS193 4.9 27.5 1.0 OG1 F:THR159 5.0 29.5 1.0

Bromine binding site 7 out of 8 in the Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Bry)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Bry) within 5.0Å range: probe atom residue distance (Å) B Occ G:Br63 b:54.4 occ:1.00 BR G:KZ463 0.0 54.4 1.0 CE1 G:KZ463 1.9 36.2 1.0 CZ G:KZ463 2.9 25.5 1.0 CD1 G:KZ463 2.9 34.0 1.0 OH G:KZ463 3.0 24.4 1.0 OG G:SER142 3.2 32.7 1.0 CG1 G:VAL157 3.6 33.6 1.0 O G:HOH315 3.6 37.2 1.0 CE2 G:PHE173 3.8 38.9 1.0 CB G:SER142 3.8 26.5 1.0 CD2 G:PHE173 3.9 43.1 1.0 CG2 G:THR159 4.0 30.1 1.0 CE2 G:KZ463 4.2 28.9 1.0 CG2 G:KZ463 4.2 33.7 1.0 CG2 G:VAL157 4.3 32.4 1.0 CD2 G:HIS193 4.4 40.5 1.0 CB G:THR159 4.5 28.2 1.0 CZ G:PHE173 4.5 38.6 1.0 CB G:VAL157 4.5 34.5 1.0 CG G:PHE173 4.7 29.8 1.0 CD2 G:KZ463 4.7 35.1 1.0 OG1 G:THR159 4.8 32.0 1.0 CG G:HIS193 4.8 32.4 1.0

Bromine binding site 8 out of 8 in the Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Bry)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Bry) within 5.0Å range: probe atom residue distance (Å) B Occ H:Br63 b:56.0 occ:1.00 BR H:KZ463 0.0 56.0 1.0 CE1 H:KZ463 1.9 39.6 1.0 CZ H:KZ463 2.9 34.7 1.0 CD1 H:KZ463 2.9 34.5 1.0 OH H:KZ463 3.0 27.5 1.0 OG H:SER142 3.3 40.5 1.0 CG1 H:VAL157 3.5 32.2 1.0 CE2 H:PHE173 3.7 32.1 1.0 O H:HOH322 3.7 34.7 1.0 CB H:SER142 3.8 36.3 1.0 CD2 H:PHE173 4.0 36.0 1.0 CG2 H:VAL157 4.2 35.1 1.0 CG2 H:THR159 4.2 31.0 1.0 CE2 H:KZ463 4.2 36.1 1.0 CG2 H:KZ463 4.2 27.2 1.0 CZ H:PHE173 4.3 31.3 1.0 CB H:VAL157 4.4 30.3 1.0 CD2 H:HIS193 4.5 35.2 1.0 CB H:THR159 4.6 31.4 1.0 CG H:PHE173 4.7 34.4 1.0 CD2 H:KZ463 4.7 32.9 1.0 CG H:HIS193 4.9 29.0 1.0 CE1 H:PHE173 4.9 38.4 1.0 OG1 H:THR159 5.0 28.5 1.0 CG2 H:THR59 5.0 24.4 1.0

M.G.Romei, C.-Y.Lin, I.I.Mathews, S.G.Boxer. Electrostatic Control of Isomerization Pathways in Proteins To Be Published.