Chlorine in PDB 6wn5: 1.52 Angstrom Resolution Crystal Structure of Transcriptional Regulator Hdfr From Klebsiella Pneumoniae

The structure of 1.52 Angstrom Resolution Crystal Structure of Transcriptional Regulator Hdfr From Klebsiella Pneumoniae, PDB code: 6wn5 was solved by G.Minasov, L.Shuvalova, O.Kiryukhina, I.Dubrovska, K.J.F.Satchell, Centerfor Structural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.86 / 1.52
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	62.389, 62.389, 103.132, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 20.5

The binding sites of Chlorine atom in the 1.52 Angstrom Resolution Crystal Structure of Transcriptional Regulator Hdfr From Klebsiella Pneumoniae (pdb code 6wn5). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the 1.52 Angstrom Resolution Crystal Structure of Transcriptional Regulator Hdfr From Klebsiella Pneumoniae, PDB code: 6wn5:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the 1.52 Angstrom Resolution Crystal Structure of Transcriptional Regulator Hdfr From Klebsiella Pneumoniae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 1.52 Angstrom Resolution Crystal Structure of Transcriptional Regulator Hdfr From Klebsiella Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:30.3 occ:0.50 CG A:GLN82 3.1 35.2 0.5 N A:GLN82 3.3 23.9 0.5 N A:GLN82 3.3 25.3 0.5 OG A:SER85 3.3 39.1 1.0 CB A:ALA81 3.7 24.1 1.0 CB A:SER85 3.7 33.9 1.0 CD A:GLN82 3.8 37.8 0.5 CB A:GLN82 3.8 26.2 0.5 CB A:GLN82 3.8 30.6 0.5 CG A:GLN82 3.9 26.6 0.5 CA A:ALA81 4.0 21.9 1.0 OE1 A:GLN82 4.1 33.8 0.5 C A:ALA81 4.1 22.8 1.0 CA A:GLN82 4.1 25.6 0.5 CA A:GLN82 4.2 28.0 0.5 OE1 A:GLN82 4.2 35.5 0.5 CD A:GLN82 4.4 28.7 0.5 NE2 A:GLN82 4.4 39.5 0.5 O A:GLN82 4.6 26.9 0.5 O A:GLN82 4.6 25.6 0.5 C A:GLN82 4.9 26.3 0.5 C A:GLN82 4.9 27.7 0.5

Chlorine binding site 2 out of 3 in the 1.52 Angstrom Resolution Crystal Structure of Transcriptional Regulator Hdfr From Klebsiella Pneumoniae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 1.52 Angstrom Resolution Crystal Structure of Transcriptional Regulator Hdfr From Klebsiella Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:35.6 occ:1.00 O A:ILE99 2.7 19.4 1.0 O A:HOH458 2.8 8.9 0.1 N A:SER52 3.0 16.8 1.0 O A:HOH541 3.2 27.1 0.6 CL A:CL303 3.3 41.9 1.0 O A:HOH458 3.3 30.8 0.5 CD1 A:LEU55 3.5 21.6 1.0 CA A:ALA51 3.5 16.4 1.0 C A:ALA51 3.7 15.9 1.0 CA A:THR100 3.7 19.5 1.0 CB A:ALA51 3.8 16.2 1.0 CB A:SER52 3.8 17.5 1.0 C A:ILE99 3.8 18.7 1.0 OG A:SER52 3.8 19.3 1.0 CB A:THR100 4.0 20.6 1.0 CA A:SER52 4.0 16.8 1.0 O A:HOH458 4.1 13.3 0.3 OG1 A:THR100 4.1 22.3 1.0 N A:THR100 4.3 18.2 1.0 O A:HOH541 4.3 29.4 0.4 CG A:LEU55 4.4 20.2 1.0 CD1 A:LEU98 4.5 24.6 1.0 N A:ALA51 4.8 16.7 1.0 O A:HOH451 4.9 35.3 1.0 CB A:LEU55 4.9 16.8 1.0 O A:ALA51 4.9 16.4 1.0 CD1 A:LEU86 4.9 25.5 1.0 C A:THR100 5.0 19.8 1.0 O A:GLY50 5.0 18.4 1.0

Chlorine binding site 3 out of 3 in the 1.52 Angstrom Resolution Crystal Structure of Transcriptional Regulator Hdfr From Klebsiella Pneumoniae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 1.52 Angstrom Resolution Crystal Structure of Transcriptional Regulator Hdfr From Klebsiella Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:41.9 occ:1.00 O A:HOH541 3.1 29.4 0.4 N A:THR101 3.2 20.2 1.0 CL A:CL302 3.3 35.6 1.0 O A:HOH451 3.4 35.3 1.0 OG1 A:THR101 3.4 25.8 1.0 OG1 A:THR100 3.4 22.3 1.0 O A:HOH555 3.6 39.6 0.5 CA A:THR100 3.8 19.5 1.0 O A:HOH541 3.8 27.1 0.6 CD1 A:LEU55 3.8 21.6 1.0 CG2 A:THR101 3.9 21.3 1.0 C A:THR100 4.0 19.8 1.0 CB A:THR101 4.0 21.7 1.0 CB A:THR100 4.1 20.6 1.0 CA A:THR101 4.2 21.3 1.0 O A:HOH458 4.4 8.9 0.1 OG A:SER52 4.5 19.3 1.0 CG A:LEU55 4.5 20.2 1.0 O A:TRP140 4.6 50.3 1.0 CB A:SER52 4.9 17.5 1.0 C A:TRP140 4.9 42.9 1.0 N A:GLU102 5.0 23.5 1.0 O A:ILE99 5.0 19.4 1.0 C A:THR101 5.0 23.6 1.0

G.Minasov, L.Shuvalova, O.Kiryukhina, I.Dubrovska, K.J.F.Satchell, Center For Structural Genomics Of Infectious Diseases(Csgid). 1.52 Angstrom Resolution Crystal Structure of Transcriptional Regulator Hdfr From Klebsiella Pneumoniae To Be Published.