Chlorine in PDB 5n5v: Structure of P-Boronophenylalanyl Trna Synthetase - Apo Form

All present enzymatic activity of Structure of P-Boronophenylalanyl Trna Synthetase - Apo Form:
6.1.1.1;

The structure of Structure of P-Boronophenylalanyl Trna Synthetase - Apo Form, PDB code: 5n5v was solved by A.Schiefner, A.Skerra, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.91 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	53.001, 94.008, 286.566, 90.00, 90.02, 90.00
R / Rfree (%)	21.2 / 24.4

The binding sites of Chlorine atom in the Structure of P-Boronophenylalanyl Trna Synthetase - Apo Form (pdb code 5n5v). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Structure of P-Boronophenylalanyl Trna Synthetase - Apo Form, PDB code: 5n5v:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Structure of P-Boronophenylalanyl Trna Synthetase - Apo Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of P-Boronophenylalanyl Trna Synthetase - Apo Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:35.1 occ:1.00 N A:HIS283 3.2 29.4 1.0 NH2 A:ARG257 3.2 47.5 1.0 CD A:ARG286 3.3 39.0 1.0 CD A:ARG257 3.3 46.9 1.0 CA A:LEU282 3.5 31.4 1.0 CD1 A:LEU282 3.8 28.9 1.0 C A:LEU282 3.8 29.7 1.0 O A:GLU281 3.8 36.7 1.0 CB A:HIS283 3.9 30.8 1.0 CZ A:ARG257 4.1 49.4 1.0 CA A:HIS283 4.1 29.4 1.0 NE A:ARG257 4.1 48.4 1.0 CB A:ARG286 4.2 32.8 1.0 CG A:ARG286 4.3 35.7 1.0 NE A:ARG286 4.4 41.7 1.0 N A:LEU282 4.4 33.0 1.0 CB A:LEU282 4.4 30.6 1.0 C A:GLU281 4.4 35.6 1.0 CG A:ARG257 4.4 47.1 1.0 CG A:LEU282 4.5 28.8 1.0 O A:HIS283 4.8 26.2 1.0

Chlorine binding site 2 out of 5 in the Structure of P-Boronophenylalanyl Trna Synthetase - Apo Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of P-Boronophenylalanyl Trna Synthetase - Apo Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:15.4 occ:1.00 NH2 B:ARG257 2.9 31.7 1.0 N B:HIS283 3.5 24.4 1.0 CD B:ARG257 3.8 32.6 1.0 CB B:ARG286 3.9 24.1 1.0 CB B:HIS283 3.9 25.0 1.0 CD1 B:LEU282 4.0 22.2 1.0 CA B:LEU282 4.0 24.2 1.0 CZ B:ARG257 4.1 32.6 1.0 CG B:ARG286 4.2 24.6 1.0 O B:GLU281 4.3 27.7 1.0 C B:LEU282 4.3 24.0 1.0 CA B:HIS283 4.4 24.3 1.0 NE B:ARG257 4.4 33.2 1.0 NE B:ARG286 4.7 25.6 1.0 O B:PHE261 4.7 33.3 1.0 CG B:LEU282 4.8 22.0 1.0 N B:LEU282 4.8 25.4 1.0 CB B:LEU282 4.8 22.8 1.0 C B:GLU281 4.9 27.7 1.0 O B:HIS283 4.9 22.7 1.0

Chlorine binding site 3 out of 5 in the Structure of P-Boronophenylalanyl Trna Synthetase - Apo Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of P-Boronophenylalanyl Trna Synthetase - Apo Form within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl401 b:29.6 occ:1.00 CD D:ARG286 3.3 47.2 1.0 NH2 D:ARG257 3.4 73.5 1.0 N D:HIS283 3.5 39.7 1.0 CD D:ARG257 3.5 75.1 1.0 CD1 D:LEU282 3.8 36.5 1.0 CA D:LEU282 3.8 39.4 1.0 CB D:HIS283 4.1 42.7 1.0 CB D:ARG286 4.1 42.1 1.0 O D:GLU281 4.2 45.3 1.0 C D:LEU282 4.2 38.7 1.0 CG D:ARG286 4.2 45.0 1.0 NE D:ARG286 4.3 50.0 1.0 CZ D:ARG257 4.3 73.5 1.0 NE D:ARG257 4.4 73.4 1.0 CA D:HIS283 4.4 40.4 1.0 CD2 D:HIS283 4.4 47.5 1.0 CG D:ARG257 4.5 74.5 1.0 CB D:LEU282 4.6 37.6 1.0 CG D:LEU282 4.6 36.0 1.0 CG D:HIS283 4.7 45.7 1.0 N D:LEU282 4.7 40.9 1.0 C D:GLU281 4.8 43.0 1.0 NH1 D:ARG286 4.9 52.6 1.0 O D:HIS283 5.0 37.4 1.0 CZ D:ARG286 5.0 52.2 1.0

Chlorine binding site 4 out of 5 in the Structure of P-Boronophenylalanyl Trna Synthetase - Apo Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of P-Boronophenylalanyl Trna Synthetase - Apo Form within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl401 b:33.3 occ:1.00 NH2 E:ARG257 2.8 76.2 1.0 CD E:ARG257 3.2 72.3 1.0 CD E:ARG286 3.4 40.4 1.0 N E:HIS283 3.5 51.2 1.0 CZ E:ARG257 3.7 77.4 1.0 CA E:LEU282 3.8 51.3 1.0 NE E:ARG257 3.9 74.3 1.0 CD1 E:LEU282 4.0 50.0 1.0 O E:GLU281 4.0 53.4 1.0 CB E:HIS283 4.1 52.8 1.0 C E:LEU282 4.2 51.5 1.0 CD2 E:HIS283 4.2 58.2 1.0 NE E:ARG286 4.3 41.5 1.0 CG E:ARG257 4.4 69.9 1.0 CA E:HIS283 4.4 51.3 1.0 O E:PHE261 4.5 54.0 1.0 CB E:ARG286 4.5 38.4 1.0 CG E:HIS283 4.5 56.3 1.0 CG E:ARG286 4.5 39.1 1.0 C E:GLU281 4.6 51.4 1.0 N E:LEU282 4.7 51.2 1.0 CB E:LEU282 4.7 50.8 1.0 CG E:LEU282 4.8 50.3 1.0 CB E:PHE261 4.9 56.1 1.0 NH1 E:ARG257 4.9 81.2 1.0

Chlorine binding site 5 out of 5 in the Structure of P-Boronophenylalanyl Trna Synthetase - Apo Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of P-Boronophenylalanyl Trna Synthetase - Apo Form within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl401 b:27.5 occ:1.00 N G:HIS283 3.5 31.1 1.0 CD G:ARG286 3.6 32.0 1.0 CG G:ARG286 3.6 31.2 1.0 NH1 G:ARG286 3.7 35.0 1.0 CB G:HIS283 3.7 32.0 1.0 NH2 G:ARG257 3.8 54.4 1.0 CB G:ARG286 3.9 30.0 1.0 CD G:ARG257 4.0 48.2 1.0 CA G:LEU282 4.3 33.6 1.0 CA G:HIS283 4.3 30.9 1.0 CD1 G:LEU282 4.3 34.2 1.0 C G:LEU282 4.4 32.4 1.0 NE G:ARG286 4.5 32.7 1.0 CZ G:ARG286 4.5 34.3 1.0 O G:GLU281 4.6 36.7 1.0 CZ G:ARG257 4.8 53.0 1.0 NE G:ARG257 4.9 50.8 1.0 O G:HIS283 4.9 27.8 1.0 CG G:HIS283 5.0 32.7 1.0

A.Schiefner, L.Nastle, M.Landgraf, A.J.Reichert, A.Skerra. Structural Basis For the Specific Cotranslational Incorporation of P-Boronophenylalanine Into Biosynthetic Proteins. Biochemistry V. 57 2597 2018.
ISSN: ISSN 1520-4995
PubMed: 29668275
DOI: 10.1021/ACS.BIOCHEM.8B00171