Chlorine in PDB 2pmu: Crystal Structure of the Dna-Binding Domain of Phop

The structure of Crystal Structure of the Dna-Binding Domain of Phop, PDB code: 2pmu was solved by S.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.78
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	103.884, 101.129, 86.930, 90.00, 126.72, 90.00
R / Rfree (%)	19.6 / 23.8

The structure of Crystal Structure of the Dna-Binding Domain of Phop also contains other interesting chemical elements:

Potassium

(K)

3 atoms

The binding sites of Chlorine atom in the Crystal Structure of the Dna-Binding Domain of Phop (pdb code 2pmu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of the Dna-Binding Domain of Phop, PDB code: 2pmu:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of the Dna-Binding Domain of Phop


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 the Dna-Binding Domain of Phop within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl3003 b:37.4 occ:1.00 NE B:ARG204 3.3 63.3 1.0 CG B:ARG204 3.3 55.6 1.0 N B:ARG204 3.4 51.5 1.0 CD B:ARG204 3.6 59.5 1.0 CB B:ARG204 3.9 52.7 1.0 CA B:TRP203 4.1 42.5 1.0 OG1 C:THR152 4.2 46.7 1.0 CA B:ARG204 4.2 49.6 1.0 CB B:TRP203 4.3 49.3 1.0 C B:TRP203 4.3 48.9 1.0 CB B:PHE207 4.3 62.2 1.0 CZ B:ARG204 4.3 64.8 1.0 CD1 B:TRP203 4.4 51.0 1.0 CZ C:ARG150 4.5 47.1 1.0 CG C:ARG150 4.5 45.2 1.0 NH2 C:ARG150 4.5 45.8 1.0 CD1 B:PHE207 4.5 66.4 1.0 NH2 B:ARG204 4.6 66.8 1.0 CG B:PHE207 4.6 65.7 1.0 NE C:ARG150 4.6 45.6 1.0 CG B:TRP203 4.7 45.5 1.0 NH1 C:ARG150 4.8 50.1 1.0 O B:ARG204 4.9 48.5 1.0 CD C:ARG150 4.9 45.8 1.0 CB C:THR152 5.0 45.8 1.0 O C:ARG150 5.0 46.9 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of the Dna-Binding Domain of Phop


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 the Dna-Binding Domain of Phop within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl3004 b:34.7 occ:1.00 NH1 D:ARG204 2.8 59.8 1.0 O E:HOH5048 3.0 45.8 1.0 CG D:ARG204 3.6 47.4 1.0 CA D:TRP203 3.8 38.4 1.0 C D:TRP203 3.8 41.9 1.0 CD1 D:PHE207 3.9 47.4 1.0 CB D:TRP203 3.9 36.3 1.0 CZ D:ARG204 4.0 57.9 1.0 CE1 D:PHE207 4.0 51.9 1.0 N D:ARG204 4.0 39.0 1.0 CD D:ARG204 4.0 51.3 1.0 O D:TRP203 4.3 42.1 1.0 NE D:ARG204 4.5 56.3 1.0 CB D:ARG204 4.5 36.2 1.0 CD1 D:TRP203 4.6 39.1 1.0 CG D:TRP203 4.7 36.2 1.0 CA D:ARG204 4.9 33.7 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of the Dna-Binding Domain of Phop


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 the Dna-Binding Domain of Phop within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl3001 b:33.9 occ:1.00 ND2 E:ASN148 3.2 48.4 1.0 CB E:ASN148 3.9 33.9 1.0 CG E:ASN148 4.1 40.1 1.0 NH2 E:ARG150 4.5 65.4 1.0 CA E:ASN148 4.8 28.5 1.0 O E:ARG147 4.8 39.1 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of the Dna-Binding Domain of Phop


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 the Dna-Binding Domain of Phop within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl3002 b:39.5 occ:1.00 NE E:ARG204 3.3 63.1 1.0 CG E:ARG204 3.3 55.9 1.0 N E:ARG204 3.4 52.4 1.0 CD E:ARG204 3.7 59.5 1.0 CB E:ARG204 3.9 52.4 1.0 CA E:TRP203 4.1 43.1 1.0 CB E:PHE207 4.2 59.8 1.0 CB E:TRP203 4.2 49.2 1.0 OG1 F:THR152 4.2 45.6 1.0 CA E:ARG204 4.2 50.1 1.0 C E:TRP203 4.3 49.4 1.0 CZ E:ARG204 4.3 64.7 1.0 CD1 E:TRP203 4.4 50.7 1.0 CD2 E:PHE207 4.4 63.6 1.0 O E:HOH5067 4.5 48.0 1.0 CZ F:ARG150 4.5 47.4 1.0 CG E:PHE207 4.5 63.2 1.0 NH1 F:ARG150 4.5 47.2 1.0 NH2 E:ARG204 4.6 66.8 1.0 NE F:ARG150 4.6 45.3 1.0 CG E:TRP203 4.7 45.4 1.0 CD F:ARG150 4.8 44.6 1.0 O E:ARG204 4.9 48.8 1.0 NH2 F:ARG150 4.9 50.2 1.0 CB F:THR152 4.9 46.0 1.0

S.Wang, J.Engohang-Ndong, I.Smith. Structure of the Dna-Binding Domain of the Response Regulator Phop From Mycobacterium Tuberculosis Biochemistry V. 46 14751 2007.
ISSN: ISSN 0006-2960
PubMed: 18052041
DOI: 10.1021/BI700970A