Chlorine in PDB 2ay0: Structure of the LYS9MET Mutant of the E. Coli Proline Utilization A (Puta) Dna-Binding Domain.

The structure of Structure of the LYS9MET Mutant of the E. Coli Proline Utilization A (Puta) Dna-Binding Domain., PDB code: 2ay0 was solved by J.D.Larson, J.P.Schuermann, Y.Zhou, J.L.Jenkins, D.F.Becker, J.J.Tanner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	60.75 / 2.10
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	72.070, 91.494, 69.606, 90.00, 119.21, 90.00
R / Rfree (%)	20.4 / 24.2

The binding sites of Chlorine atom in the Structure of the LYS9MET Mutant of the E. Coli Proline Utilization A (Puta) Dna-Binding Domain. (pdb code 2ay0). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Structure of the LYS9MET Mutant of the E. Coli Proline Utilization A (Puta) Dna-Binding Domain., PDB code: 2ay0:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in the Structure of the LYS9MET Mutant of the E. Coli Proline Utilization A (Puta) Dna-Binding Domain.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the LYS9MET Mutant of the E. Coli Proline Utilization A (Puta) Dna-Binding Domain. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl59 b:33.4 occ:1.00 NH2 A:ARG27 3.3 34.8 1.0 NE1 A:TRP31 3.3 34.5 1.0 NE A:ARG27 3.3 33.7 1.0 CZ A:ARG27 3.7 34.7 1.0 CZ2 A:TRP31 3.8 36.3 1.0 CE2 A:TRP31 3.9 35.0 1.0 CD1 A:TRP31 4.4 35.6 1.0 CD A:ARG27 4.5 34.8 1.0

Chlorine binding site 2 out of 6 in the Structure of the LYS9MET Mutant of the E. Coli Proline Utilization A (Puta) Dna-Binding Domain.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of the LYS9MET Mutant of the E. Coli Proline Utilization A (Puta) Dna-Binding Domain. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl59 b:35.1 occ:1.00 O C:HOH68 2.9 42.3 1.0 NH2 B:ARG27 3.2 36.6 1.0 N D:MET9 3.3 36.9 1.0 NE1 B:TRP31 3.3 37.0 1.0 NE B:ARG27 3.3 35.3 1.0 CD C:LYS34 3.6 38.4 1.0 CG C:LYS34 3.7 37.6 1.0 CZ B:ARG27 3.7 36.2 1.0 O C:HOH67 3.8 39.2 1.0 CA D:VAL8 3.9 38.8 1.0 CE2 B:TRP31 4.0 37.4 1.0 CZ2 B:TRP31 4.0 38.5 1.0 CB D:MET9 4.0 35.3 1.0 C D:VAL8 4.1 37.4 1.0 O D:MET9 4.1 36.4 1.0 CA D:MET9 4.2 34.9 1.0 O D:GLY7 4.3 40.1 1.0 CG1 D:VAL8 4.4 39.9 1.0 CB C:HIS30 4.4 37.0 1.0 CD1 B:TRP31 4.4 37.5 1.0 O C:HIS30 4.4 39.9 1.0 CG D:MET9 4.5 34.3 1.0 CD B:ARG27 4.5 36.8 1.0 ND1 C:HIS30 4.6 33.1 1.0 C D:MET9 4.6 36.5 1.0 CG C:HIS30 4.7 34.8 1.0 CB D:VAL8 4.7 38.7 1.0 CE C:LYS34 4.7 37.4 1.0 NZ C:LYS34 4.8 36.0 1.0 CA C:HIS30 4.9 38.2 1.0 N D:VAL8 4.9 38.9 1.0 C C:HIS30 4.9 38.9 1.0 C D:GLY7 5.0 39.8 1.0

Chlorine binding site 3 out of 6 in the Structure of the LYS9MET Mutant of the E. Coli Proline Utilization A (Puta) Dna-Binding Domain.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of the LYS9MET Mutant of the E. Coli Proline Utilization A (Puta) Dna-Binding Domain. within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl59 b:35.1 occ:1.00 N A:MET9 3.2 37.0 1.0 NE C:ARG27 3.3 35.1 1.0 O A:HOH63 3.3 35.5 1.0 NE1 C:TRP31 3.3 39.8 1.0 NH2 C:ARG27 3.4 38.0 1.0 CZ2 C:TRP31 3.6 40.1 1.0 CG B:LYS34 3.7 40.3 1.0 CA A:VAL8 3.7 38.8 1.0 CE2 C:TRP31 3.8 38.9 1.0 CD B:LYS34 3.8 41.0 1.0 CZ C:ARG27 3.8 35.8 1.0 C A:VAL8 3.9 37.8 1.0 CD2 B:HIS30 4.0 37.4 1.0 CG2 A:VAL8 4.0 39.9 1.0 CB B:HIS30 4.1 38.4 1.0 CB A:MET9 4.1 36.2 1.0 O B:HIS30 4.1 37.6 1.0 CA A:MET9 4.2 36.3 1.0 O A:GLY7 4.2 39.6 1.0 CG B:HIS30 4.2 38.5 1.0 O A:MET9 4.3 37.1 1.0 CB A:VAL8 4.4 38.8 1.0 CD C:ARG27 4.4 36.5 1.0 CD1 C:TRP31 4.5 39.2 1.0 CG A:MET9 4.5 36.0 1.0 CA B:HIS30 4.6 39.0 1.0 C B:HIS30 4.7 38.5 1.0 N A:VAL8 4.7 39.3 1.0 C A:MET9 4.7 37.2 1.0 C A:GLY7 4.8 39.6 1.0 CH2 C:TRP31 4.9 40.0 1.0 NE2 B:HIS30 5.0 37.0 1.0

Chlorine binding site 4 out of 6 in the Structure of the LYS9MET Mutant of the E. Coli Proline Utilization A (Puta) Dna-Binding Domain.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of the LYS9MET Mutant of the E. Coli Proline Utilization A (Puta) Dna-Binding Domain. within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl59 b:31.1 occ:1.00 NE D:ARG27 3.2 33.7 1.0 NH1 D:ARG27 3.3 34.0 1.0 NE1 D:TRP31 3.3 35.5 1.0 N F:MET9 3.3 38.5 1.0 CZ D:ARG27 3.7 33.1 1.0 CZ2 D:TRP31 3.7 35.3 1.0 CD E:LYS34 3.7 39.3 1.0 CA F:VAL8 3.8 40.5 1.0 CD2 E:HIS30 3.8 40.9 1.0 CE2 D:TRP31 3.8 35.6 1.0 CG E:LYS34 3.9 37.1 1.0 C F:VAL8 4.0 39.5 1.0 CB E:HIS30 4.1 38.4 1.0 CG E:HIS30 4.1 39.6 1.0 O F:GLY7 4.2 41.9 1.0 CG1 F:VAL8 4.2 42.2 1.0 CA F:MET9 4.3 37.1 1.0 CB F:MET9 4.3 36.7 1.0 O F:MET9 4.3 37.6 1.0 O E:HIS30 4.3 36.8 1.0 CD D:ARG27 4.4 34.5 1.0 CD1 D:TRP31 4.4 34.7 1.0 CB F:VAL8 4.6 40.4 1.0 CG F:MET9 4.7 37.0 1.0 CA E:HIS30 4.7 38.0 1.0 NZ E:LYS34 4.7 39.9 1.0 NE2 E:HIS30 4.8 42.3 1.0 CE F:MET9 4.8 34.5 1.0 N F:VAL8 4.8 40.9 1.0 C F:MET9 4.8 37.7 1.0 C E:HIS30 4.8 37.6 1.0 CE E:LYS34 4.8 37.8 1.0 C F:GLY7 4.9 41.2 1.0 CH2 D:TRP31 4.9 35.7 1.0

Chlorine binding site 5 out of 6 in the Structure of the LYS9MET Mutant of the E. Coli Proline Utilization A (Puta) Dna-Binding Domain.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of the LYS9MET Mutant of the E. Coli Proline Utilization A (Puta) Dna-Binding Domain. within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl59 b:38.1 occ:1.00 O C:HOH65 3.1 38.3 1.0 NE E:ARG27 3.3 34.7 1.0 N C:MET9 3.4 39.5 1.0 NE1 E:TRP31 3.4 35.2 1.0 NH2 E:ARG27 3.4 32.9 1.0 CZ2 E:TRP31 3.7 36.1 1.0 CG D:LYS34 3.8 39.7 1.0 CA C:VAL8 3.8 40.5 1.0 CD D:LYS34 3.8 40.4 1.0 CZ E:ARG27 3.8 35.3 1.0 CE2 E:TRP31 3.9 35.7 1.0 CD2 D:HIS30 3.9 38.5 1.0 O C:GLY7 4.0 42.1 1.0 CG1 C:VAL8 4.1 40.2 1.0 C C:VAL8 4.1 39.9 1.0 CB D:HIS30 4.2 37.7 1.0 CB C:MET9 4.2 39.0 1.0 CG D:HIS30 4.2 38.9 1.0 CA C:MET9 4.3 39.0 1.0 O D:HIS30 4.3 37.5 1.0 O C:MET9 4.4 40.0 1.0 CD E:ARG27 4.4 35.6 1.0 CB C:VAL8 4.5 40.5 1.0 CD1 E:TRP31 4.5 35.2 1.0 CG C:MET9 4.6 38.5 1.0 CA D:HIS30 4.6 37.6 1.0 N C:VAL8 4.8 40.6 1.0 C C:GLY7 4.8 41.4 1.0 C D:HIS30 4.8 37.3 1.0 CE C:MET9 4.8 36.0 1.0 C C:MET9 4.9 40.4 1.0 NE2 D:HIS30 4.9 39.1 1.0 CH2 E:TRP31 5.0 36.5 1.0 CE D:LYS34 5.0 40.6 1.0 NZ D:LYS34 5.0 40.2 1.0

Chlorine binding site 6 out of 6 in the Structure of the LYS9MET Mutant of the E. Coli Proline Utilization A (Puta) Dna-Binding Domain.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Structure of the LYS9MET Mutant of the E. Coli Proline Utilization A (Puta) Dna-Binding Domain. within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl59 b:37.2 occ:1.00 NE1 F:TRP31 3.2 37.1 1.0 NH1 F:ARG27 3.2 34.8 1.0 NE F:ARG27 3.2 34.1 1.0 CZ F:ARG27 3.7 33.8 1.0 CZ2 F:TRP31 3.7 37.2 1.0 CE2 F:TRP31 3.8 35.5 1.0 CD1 F:TRP31 4.4 37.0 1.0 CD F:ARG27 4.4 35.6 1.0 CH2 F:TRP31 5.0 36.7 1.0

J.D.Larson, J.L.Jenkins, J.P.Schuermann, Y.Zhou, D.F.Becker, J.J.Tanner. Crystal Structures of the Dna-Binding Domain of Escherichia Coli Proline Utilization A Flavoprotein and Analysis of the Role of LYS9 in Dna Recognition. Protein Sci. V. 15 2630 2006.
ISSN: ISSN 0961-8368
PubMed: 17001030
DOI: 10.1110/PS.062425706