Iodine in PDB 6nqo: Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Iy)

The structure of Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Iy), PDB code: 6nqo 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)	37.54 / 2.10
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	71.380, 79.306, 85.567, 89.99, 87.62, 84.97
R / Rfree (%)	18.2 / 22.8

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

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


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Iy) within 5.0Å range: probe atom residue distance (Å) B Occ A:I63 b:34.0 occ:1.00 I A:KZG63 0.0 34.0 1.0 CE1 A:KZG63 2.1 29.5 1.0 CD1 A:KZG63 3.0 21.2 1.0 CZ A:KZG63 3.0 21.6 1.0 OH A:KZG63 3.1 22.2 1.0 OG A:SER142 3.3 31.1 1.0 CG1 A:VAL157 3.6 30.3 1.0 CB A:SER142 3.8 23.2 1.0 CE2 A:PHE173 3.9 31.2 1.0 CG2 A:THR159 3.9 22.6 1.0 CD2 A:PHE173 3.9 33.2 1.0 CG2 A:VAL157 4.2 23.1 1.0 CE2 A:KZG63 4.4 21.9 1.0 CG2 A:KZG63 4.4 23.5 1.0 O A:HOH310 4.4 24.2 1.0 CZ A:PHE173 4.4 25.2 1.0 CB A:THR159 4.4 30.9 1.0 CG A:PHE173 4.5 30.7 1.0 CB A:VAL157 4.5 29.4 1.0 CD2 A:HIS193 4.6 28.2 1.0 OG1 A:THR159 4.8 32.4 1.0 CE1 A:PHE173 4.9 28.4 1.0 CD2 A:KZG63 4.9 29.3 1.0 CD1 A:PHE173 4.9 30.6 1.0 CG A:HIS193 5.0 25.6 1.0

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


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Iy) within 5.0Å range: probe atom residue distance (Å) B Occ B:I63 b:34.1 occ:1.00 I B:KZG63 0.0 34.1 1.0 CE1 B:KZG63 2.1 25.9 1.0 CD1 B:KZG63 3.0 30.2 1.0 CZ B:KZG63 3.0 26.0 1.0 OH B:KZG63 3.2 23.7 1.0 OG B:SER142 3.5 29.8 1.0 CG1 B:VAL157 3.7 21.3 1.0 O B:HOH332 3.7 22.0 1.0 CB B:SER142 3.9 25.4 1.0 CD2 B:PHE173 4.0 36.7 1.0 CE2 B:PHE173 4.1 37.9 1.0 CG2 B:THR159 4.2 21.9 1.0 CG2 B:VAL157 4.2 27.1 1.0 CE2 B:KZG63 4.4 22.8 1.0 CG2 B:KZG63 4.4 25.1 1.0 CB B:THR159 4.5 27.0 1.0 CG B:PHE173 4.5 33.6 1.0 CB B:VAL157 4.6 22.9 1.0 CD2 B:HIS193 4.7 26.8 1.0 CZ B:PHE173 4.7 29.2 1.0 CD2 B:KZG63 4.9 25.0 1.0 CG2 B:THR59 5.0 25.5 1.0

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


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Iy) within 5.0Å range: probe atom residue distance (Å) B Occ C:I63 b:32.7 occ:1.00 I C:KZG63 0.0 32.7 1.0 CE1 C:KZG63 2.1 34.3 1.0 CD1 C:KZG63 3.0 32.9 1.0 CZ C:KZG63 3.0 36.3 1.0 OH C:KZG63 3.2 28.8 1.0 OG C:SER142 3.4 37.6 1.0 CG1 C:VAL157 3.6 22.0 1.0 CE2 C:PHE173 3.9 24.3 1.0 CB C:SER142 3.9 24.0 1.0 CD2 C:PHE173 3.9 31.4 1.0 O C:HOH343 4.0 22.1 1.0 CG2 C:THR159 4.1 21.0 1.0 CG2 C:KZG63 4.3 24.0 1.0 CZ C:PHE173 4.3 21.5 1.0 CE2 C:KZG63 4.3 33.3 1.0 CB C:THR159 4.5 27.6 1.0 CG C:PHE173 4.5 25.6 1.0 CD2 C:HIS193 4.6 28.1 1.0 CG2 C:VAL157 4.6 37.4 1.0 OG1 C:THR59 4.7 22.9 0.2 CB C:VAL157 4.7 25.9 1.0 CE1 C:PHE173 4.8 24.3 1.0 OG1 C:THR159 4.8 26.4 1.0 CD2 C:KZG63 4.9 26.0 1.0 CD1 C:PHE173 4.9 17.4 1.0 CG C:HIS193 4.9 25.3 1.0

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


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Iy) within 5.0Å range: probe atom residue distance (Å) B Occ D:I63 b:35.1 occ:1.00 I D:KZG63 0.0 35.1 1.0 CE1 D:KZG63 2.1 26.1 1.0 CD1 D:KZG63 3.0 27.2 1.0 CZ D:KZG63 3.1 27.8 1.0 OH D:KZG63 3.2 22.1 1.0 OG D:SER142 3.4 26.4 1.0 O D:HOH328 3.5 34.3 1.0 CG1 D:VAL157 3.6 21.6 1.0 CE2 D:PHE173 3.9 30.3 1.0 CB D:SER142 3.9 29.0 1.0 CD2 D:PHE173 4.0 30.9 1.0 CG2 D:THR159 4.1 26.9 1.0 CG2 D:VAL157 4.2 26.1 1.0 CG2 D:KZG63 4.4 25.2 1.0 CE2 D:KZG63 4.4 25.9 1.0 CZ D:PHE173 4.4 27.9 1.0 CG D:PHE173 4.5 26.5 1.0 CB D:THR159 4.5 31.3 1.0 CB D:VAL157 4.5 24.7 1.0 CD2 D:HIS193 4.7 24.1 1.0 CE1 D:PHE173 4.8 28.8 1.0 CD1 D:PHE173 4.8 26.9 1.0 CD2 D:KZG63 4.9 24.3 1.0 OG1 D:THR159 4.9 33.0 1.0 CG D:HIS193 5.0 24.0 1.0

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


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Iy) within 5.0Å range: probe atom residue distance (Å) B Occ E:I63 b:35.7 occ:1.00 I E:KZG63 0.0 35.7 1.0 CE1 E:KZG63 2.1 25.4 1.0 CD1 E:KZG63 3.0 21.7 1.0 CZ E:KZG63 3.0 20.5 1.0 OH E:KZG63 3.1 20.8 1.0 OG E:SER142 3.3 33.4 1.0 CG1 E:VAL157 3.5 34.0 1.0 CB E:SER142 3.9 18.7 1.0 CE2 E:PHE173 3.9 45.1 1.0 CG2 E:THR159 3.9 21.6 1.0 CD2 E:PHE173 4.0 42.1 1.0 O E:HOH309 4.2 26.9 1.0 CG2 E:KZG63 4.4 26.7 1.0 CE2 E:KZG63 4.4 22.8 1.0 CG2 E:VAL157 4.4 30.4 1.0 CB E:THR159 4.4 25.8 1.0 CZ E:PHE173 4.4 43.6 1.0 CG E:PHE173 4.5 30.7 1.0 CB E:VAL157 4.5 32.2 1.0 CD2 E:HIS193 4.6 22.4 1.0 OG1 E:THR159 4.8 27.4 1.0 CD2 E:KZG63 4.9 26.5 1.0 CE1 E:PHE173 4.9 38.3 1.0 CD1 E:PHE173 4.9 33.2 1.0 CG E:HIS193 5.0 25.5 1.0

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


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Iy) within 5.0Å range: probe atom residue distance (Å) B Occ F:I63 b:35.4 occ:1.00 I F:KZG63 0.0 35.4 1.0 CE1 F:KZG63 2.1 25.4 1.0 CD1 F:KZG63 3.0 28.6 1.0 CZ F:KZG63 3.0 25.2 1.0 OH F:KZG63 3.2 23.6 1.0 OG F:SER142 3.4 31.3 1.0 CG1 F:VAL157 3.6 21.2 1.0 O F:HOH308 3.7 26.4 1.0 CE2 F:PHE173 3.8 37.5 1.0 CD2 F:PHE173 3.8 35.7 1.0 CB F:SER142 3.9 18.1 1.0 CG2 F:THR159 4.0 18.4 1.0 CG2 F:KZG63 4.3 29.0 1.0 CE2 F:KZG63 4.4 24.8 1.0 CG2 F:VAL157 4.4 33.2 1.0 CZ F:PHE173 4.4 31.0 1.0 CG F:PHE173 4.4 32.8 1.0 CB F:THR159 4.4 29.4 1.0 CB F:VAL157 4.6 27.2 1.0 CD2 F:HIS193 4.7 28.8 1.0 OG1 F:THR159 4.8 33.8 1.0 CD2 F:KZG63 4.9 32.2 1.0 CE1 F:PHE173 4.9 19.2 1.0 CD1 F:PHE173 4.9 20.6 1.0

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


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Iy) within 5.0Å range: probe atom residue distance (Å) B Occ G:I63 b:37.1 occ:1.00 I G:KZG63 0.0 37.1 1.0 CE1 G:KZG63 2.1 34.6 1.0 CD1 G:KZG63 3.0 36.9 1.0 CZ G:KZG63 3.0 29.7 1.0 OH G:KZG63 3.2 27.9 1.0 OG G:SER142 3.4 35.9 1.0 O G:HOH303 3.5 40.8 1.0 CG1 G:VAL157 3.6 32.8 1.0 CB G:SER142 3.9 35.2 1.0 CG2 G:THR159 3.9 26.4 1.0 CE2 G:PHE173 3.9 39.4 1.0 CD2 G:PHE173 4.0 41.7 1.0 CG2 G:VAL157 4.2 27.5 1.0 CG2 G:KZG63 4.4 40.8 1.0 CE2 G:KZG63 4.4 28.8 1.0 CB G:THR159 4.4 29.5 1.0 CZ G:PHE173 4.4 29.1 1.0 CG G:PHE173 4.5 41.5 1.0 CB G:VAL157 4.5 32.1 1.0 CD2 G:HIS193 4.5 35.0 1.0 OG1 G:THR159 4.8 36.3 1.0 CE1 G:PHE173 4.8 31.5 1.0 CD1 G:PHE173 4.9 21.3 1.0 CD2 G:KZG63 4.9 39.2 1.0 CG G:HIS193 4.9 29.6 1.0

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


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Iy) within 5.0Å range: probe atom residue distance (Å) B Occ H:I63 b:39.0 occ:1.00 I H:KZG63 0.0 39.0 1.0 CE1 H:KZG63 2.1 32.6 1.0 CZ H:KZG63 3.0 35.5 1.0 CD1 H:KZG63 3.0 31.5 1.0 OH H:KZG63 3.1 25.7 1.0 OG H:SER142 3.4 35.7 1.0 O H:HOH323 3.5 25.8 1.0 CG1 H:VAL157 3.6 25.6 1.0 CB H:SER142 3.9 32.2 1.0 CG2 H:THR159 4.1 31.1 1.0 CE1 H:PHE173 4.1 41.9 1.0 CD1 H:PHE173 4.1 35.8 1.0 CG2 H:VAL157 4.3 36.0 1.0 CE2 H:KZG63 4.3 37.5 1.0 CG2 H:KZG63 4.4 28.6 1.0 CZ H:PHE173 4.5 35.9 1.0 CB H:THR159 4.5 32.4 1.0 CG H:PHE173 4.5 23.5 1.0 CB H:VAL157 4.6 29.3 1.0 CD2 H:HIS193 4.6 31.6 1.0 OG1 H:THR159 4.8 30.4 1.0 CE2 H:PHE173 4.8 32.2 1.0 CD2 H:PHE173 4.8 22.1 1.0 CD2 H:KZG63 4.9 30.1 1.0 CG H:HIS193 4.9 30.4 1.0

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