Chlorine in PDB 6nql: Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Cly)

The structure of Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Cly), PDB code: 6nql 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)	39.59 / 2.15
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	81.705, 86.280, 143.349, 90.00, 95.08, 90.00
R / Rfree (%)	19.7 / 23.4

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

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


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Cly) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl63 b:28.2 occ:1.00 CL A:KZ763 0.0 28.2 1.0 CE1 A:KZ763 1.8 29.6 1.0 CZ A:KZ763 2.7 26.7 1.0 CD1 A:KZ763 2.7 21.7 1.0 OH A:KZ763 2.9 17.8 1.0 OG A:SER142 3.2 25.1 1.0 CG1 A:VAL157 3.6 22.8 1.0 CE2 A:PHE173 3.7 25.9 1.0 CD2 A:PHE173 3.8 22.5 1.0 O A:HOH308 3.9 18.5 1.0 CB A:SER142 3.9 17.6 1.0 CE2 A:KZ763 4.0 24.3 1.0 CG2 A:KZ763 4.0 18.0 1.0 CG2 A:THR159 4.2 24.7 1.0 CG2 A:VAL157 4.3 26.5 1.0 CD2 A:HIS193 4.3 17.6 1.0 CZ A:PHE173 4.5 21.0 1.0 CD2 A:KZ763 4.5 17.3 1.0 CB A:VAL157 4.5 21.2 1.0 CG A:HIS193 4.6 21.8 1.0 CB A:THR159 4.7 25.5 1.0 CG A:PHE173 4.7 24.6 1.0 NE2 A:HIS193 4.8 22.2 1.0 CB A:HIS193 4.9 17.5 1.0 CG2 A:THR59 4.9 17.9 1.0 OG1 A:THR159 4.9 20.7 1.0

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


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Cly) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl63 b:33.7 occ:1.00 CL B:KZ763 0.0 33.7 1.0 CE1 B:KZ763 1.8 33.4 1.0 CZ B:KZ763 2.7 30.8 1.0 CD1 B:KZ763 2.8 28.2 1.0 OH B:KZ763 2.9 25.6 1.0 OG B:SER142 3.4 28.5 1.0 CG1 B:VAL157 3.6 27.2 1.0 CE2 B:PHE173 3.7 33.7 1.0 CD2 B:PHE173 3.9 19.2 1.0 O B:HOH431 3.9 27.4 1.0 CB B:SER142 4.0 24.2 1.0 CE2 B:KZ763 4.0 30.9 1.0 CG2 B:KZ763 4.0 28.2 1.0 CG2 B:THR159 4.2 19.2 1.0 CG2 B:VAL157 4.2 31.0 1.0 CD2 B:HIS193 4.4 28.1 1.0 CZ B:PHE173 4.4 29.2 1.0 CB B:VAL157 4.5 33.1 1.0 CD2 B:KZ763 4.5 25.7 1.0 CB B:THR159 4.6 20.5 1.0 CG B:PHE173 4.7 26.7 1.0 CG B:HIS193 4.7 30.2 1.0 CG2 B:THR59 4.8 19.4 1.0 OG1 B:THR159 4.9 22.2 1.0 CB B:HIS193 4.9 19.8 1.0 NE2 B:HIS193 4.9 29.9 1.0

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


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Cly) within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl63 b:31.0 occ:1.00 CL C:KZ763 0.0 31.0 1.0 CE1 C:KZ763 1.8 30.2 1.0 CZ C:KZ763 2.7 26.8 1.0 CD1 C:KZ763 2.7 24.6 1.0 OH C:KZ763 3.0 18.7 1.0 OG C:SER142 3.2 23.6 1.0 CG1 C:VAL157 3.6 25.5 1.0 CE2 C:PHE173 3.8 20.9 1.0 O C:HOH429 3.9 16.2 1.0 CD2 C:PHE173 3.9 23.7 1.0 CB C:SER142 3.9 17.1 1.0 CE2 C:KZ763 4.0 18.3 1.0 CG2 C:KZ763 4.0 19.9 1.0 CD2 C:HIS193 4.3 26.3 1.0 CG2 C:THR159 4.4 14.5 1.0 CG2 C:VAL157 4.4 32.4 1.0 CZ C:PHE173 4.4 21.0 1.0 CD2 C:KZ763 4.5 19.6 1.0 CG C:HIS193 4.5 31.7 1.0 CB C:VAL157 4.6 31.5 1.0 CG C:PHE173 4.7 25.4 1.0 CB C:HIS193 4.7 20.2 1.0 CB C:THR159 4.8 16.9 1.0 NE2 C:HIS193 4.9 30.5 1.0 CG2 C:THR59 5.0 17.8 1.0

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


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Cly) within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl63 b:33.1 occ:1.00 CL D:KZ763 0.0 33.1 1.0 CE1 D:KZ763 1.8 30.7 1.0 CZ D:KZ763 2.7 28.5 1.0 CD1 D:KZ763 2.8 24.9 1.0 OH D:KZ763 2.9 20.2 1.0 OG D:SER142 3.1 29.2 1.0 CG1 D:VAL157 3.6 25.1 1.0 CE2 D:PHE173 3.7 20.2 1.0 CB D:SER142 3.9 27.8 1.0 CD2 D:PHE173 3.9 18.5 1.0 O D:HOH317 3.9 30.1 1.0 CE2 D:KZ763 4.0 23.5 1.0 CG2 D:KZ763 4.0 22.7 1.0 CG2 D:VAL157 4.1 25.5 1.0 CD2 D:HIS193 4.3 31.9 1.0 CG2 D:THR159 4.3 18.4 1.0 CZ D:PHE173 4.4 24.2 1.0 CB D:VAL157 4.4 29.1 1.0 CD2 D:KZ763 4.5 21.8 1.0 CG D:HIS193 4.6 30.7 1.0 CB D:THR159 4.7 20.2 1.0 CG D:PHE173 4.7 23.7 1.0 CB D:HIS193 4.8 28.5 1.0 NE2 D:HIS193 4.8 33.1 1.0 OG1 D:THR159 5.0 23.3 1.0

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


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Cly) within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl63 b:24.0 occ:1.00 CL E:KZ763 0.0 24.0 1.0 CE1 E:KZ763 1.8 23.9 1.0 CD1 E:KZ763 2.7 13.4 1.0 CZ E:KZ763 2.7 24.6 1.0 OH E:KZ763 3.0 15.6 1.0 OG E:SER142 3.3 19.6 1.0 CG1 E:VAL157 3.6 16.2 1.0 CE2 E:PHE173 3.7 16.2 1.0 CD2 E:PHE173 3.9 14.3 1.0 CB E:SER142 4.0 15.2 1.0 CG2 E:KZ763 4.0 16.0 1.0 CE2 E:KZ763 4.0 15.7 1.0 O E:HOH321 4.1 19.0 1.0 CG2 E:VAL157 4.2 19.9 1.0 CZ E:PHE173 4.2 15.3 1.0 CG2 E:THR159 4.3 14.5 1.0 CD2 E:HIS193 4.3 26.2 1.0 CB E:VAL157 4.5 17.1 1.0 CD2 E:KZ763 4.5 14.3 1.0 CG E:PHE173 4.6 21.3 1.0 CG E:HIS193 4.7 24.9 1.0 CB E:THR159 4.7 16.2 1.0 NE2 E:HIS193 4.9 26.5 1.0 CE1 E:PHE173 4.9 28.9 1.0 CB E:HIS193 4.9 25.6 1.0

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


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Cly) within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl63 b:34.4 occ:1.00 CL F:KZ763 0.0 34.4 1.0 CE1 F:KZ763 1.8 33.6 1.0 CZ F:KZ763 2.7 34.8 1.0 CD1 F:KZ763 2.7 34.5 1.0 OH F:KZ763 3.0 25.3 1.0 OG F:SER142 3.2 32.4 1.0 CG1 F:VAL157 3.6 29.7 1.0 CE2 F:PHE173 3.8 27.1 1.0 O F:HOH310 3.9 14.1 1.0 CD2 F:PHE173 3.9 22.7 1.0 CB F:SER142 4.0 22.7 1.0 CE2 F:KZ763 4.0 24.6 1.0 CG2 F:KZ763 4.0 33.0 1.0 CG2 F:THR159 4.2 18.9 1.0 CG2 F:VAL157 4.4 28.6 1.0 CD2 F:HIS193 4.5 33.8 1.0 CZ F:PHE173 4.5 25.4 1.0 CD2 F:KZ763 4.5 24.4 1.0 CB F:VAL157 4.6 27.0 1.0 CB F:THR159 4.6 21.8 1.0 CG F:PHE173 4.7 20.3 1.0 CG F:HIS193 4.7 33.3 1.0 CB F:HIS193 4.9 21.6 1.0 OG1 F:THR159 4.9 24.3 1.0 CG2 F:THR59 4.9 23.7 1.0

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


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Cly) within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl63 b:35.5 occ:1.00 CL G:KZ763 0.0 35.5 1.0 CE1 G:KZ763 1.8 26.9 1.0 CZ G:KZ763 2.7 20.8 1.0 CD1 G:KZ763 2.8 21.8 1.0 OH G:KZ763 2.9 18.4 1.0 OG G:SER142 3.2 23.4 1.0 CG1 G:VAL157 3.5 21.4 1.0 CE2 G:PHE173 3.7 24.9 1.0 O G:HOH310 3.8 17.4 1.0 CD2 G:PHE173 3.8 25.9 1.0 CB G:SER142 3.9 18.3 1.0 CE2 G:KZ763 4.0 19.5 1.0 CG2 G:KZ763 4.0 23.2 1.0 CD2 G:HIS193 4.2 24.9 1.0 CG2 G:VAL157 4.3 38.9 1.0 CG2 G:THR159 4.3 14.9 1.0 CB G:VAL157 4.5 30.4 1.0 CD2 G:KZ763 4.5 21.3 1.0 CZ G:PHE173 4.5 26.2 1.0 CB G:THR159 4.6 20.1 1.0 CG G:HIS193 4.6 24.6 1.0 CG G:PHE173 4.7 25.6 1.0 OG1 G:THR159 4.8 15.6 1.0 CB G:HIS193 4.8 19.2 1.0 NE2 G:HIS193 4.8 23.9 1.0

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


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of Fast Switching M159T Mutant of Fluorescent Protein Dronpa (DRONPA2), Y63(3-Cly) within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl63 b:35.0 occ:1.00 CL H:KZ763 0.0 35.0 1.0 CE1 H:KZ763 1.8 34.6 1.0 CD1 H:KZ763 2.7 30.1 1.0 CZ H:KZ763 2.8 32.0 1.0 OH H:KZ763 3.0 24.8 1.0 OG H:SER142 3.1 28.9 1.0 CG1 H:VAL157 3.7 29.2 1.0 CE2 H:PHE173 3.8 31.4 1.0 CB H:SER142 3.9 26.9 1.0 CD2 H:PHE173 3.9 32.5 1.0 O H:HOH407 4.0 26.7 1.0 CG2 H:KZ763 4.0 30.3 1.0 CE2 H:KZ763 4.1 32.3 1.0 CG2 H:THR159 4.1 24.7 1.0 CG2 H:VAL157 4.2 33.3 1.0 CD2 H:HIS193 4.5 24.4 1.0 CB H:THR159 4.5 27.5 1.0 CZ H:PHE173 4.5 26.2 1.0 CD2 H:KZ763 4.6 32.6 1.0 CB H:VAL157 4.6 34.5 1.0 CG H:HIS193 4.7 25.7 1.0 CB H:HIS193 4.8 26.2 1.0 CG H:PHE173 4.8 35.6 1.0 OG1 H:THR159 4.9 28.1 1.0 CG2 H:THR59 4.9 21.0 1.0

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