Chlorine in PDB 5dd8: The Crystal Structure of Hucr Mutant (Hucr-E48Q) From Deinococcus Radiodurans

The structure of The Crystal Structure of Hucr Mutant (Hucr-E48Q) From Deinococcus Radiodurans, PDB code: 5dd8 was solved by D.K.Deochand, I.C.Perera, R.B.Crochet, N.C.Gilbert, M.E.Newcomer, A.Grove, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.91 / 2.05
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	44.931, 44.931, 284.825, 90.00, 90.00, 120.00
R / Rfree (%)	21.7 / 25.7

The binding sites of Chlorine atom in the The Crystal Structure of Hucr Mutant (Hucr-E48Q) From Deinococcus Radiodurans (pdb code 5dd8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the The Crystal Structure of Hucr Mutant (Hucr-E48Q) From Deinococcus Radiodurans, PDB code: 5dd8:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the The Crystal Structure of Hucr Mutant (Hucr-E48Q) From Deinococcus Radiodurans


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of Hucr Mutant (Hucr-E48Q) From Deinococcus Radiodurans within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:45.7 occ:1.00 O B:HOH328 3.1 40.7 1.0 NH2 A:ARG80 3.1 33.1 1.0 O A:HOH332 3.1 41.3 1.0 O A:HOH310 3.2 42.8 1.0 NE A:ARG80 3.3 36.5 1.0 CZ A:ARG80 3.7 34.3 1.0 O B:HOH334 3.7 47.6 1.0 O B:HOH314 3.9 42.5 1.0 CZ2 B:TRP20 3.9 40.1 1.0 CD2 A:LEU76 4.0 43.5 1.0 CD1 B:LEU45 4.3 48.6 1.0 CG A:LEU76 4.5 41.9 1.0 CD A:ARG80 4.6 35.1 1.0 CE2 B:TRP20 4.6 36.9 1.0 NE1 B:TRP20 4.7 35.0 1.0 CB A:ALA97 4.7 43.1 1.0 CH2 B:TRP20 4.8 40.4 1.0 CB B:LEU45 4.9 41.2 1.0 O B:MET41 5.0 41.5 1.0 OD1 A:ASP73 5.0 46.0 1.0 NH1 A:ARG80 5.0 33.4 1.0

Chlorine binding site 2 out of 4 in the The Crystal Structure of Hucr Mutant (Hucr-E48Q) From Deinococcus Radiodurans


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Crystal Structure of Hucr Mutant (Hucr-E48Q) From Deinococcus Radiodurans within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:54.0 occ:1.00 O A:HOH328 2.9 40.8 1.0 ND1 A:HIS51 3.1 42.1 1.0 O B:HOH324 3.1 44.5 1.0 CB A:HIS51 3.4 42.6 1.0 CA A:HIS51 3.5 41.1 1.0 O B:LEU47 3.6 37.8 1.0 CG A:HIS51 3.7 43.8 1.0 C B:LEU47 3.7 38.8 1.0 CB B:LEU47 3.8 36.6 1.0 N B:GLN48 3.8 37.1 1.0 CD1 A:LEU54 4.0 45.1 1.0 O A:HOH319 4.0 48.6 1.0 CA B:GLN48 4.0 40.1 1.0 O B:HOH327 4.1 37.6 1.0 CE1 A:HIS51 4.2 43.4 1.0 N A:HIS51 4.3 40.4 1.0 CA B:LEU47 4.4 38.3 1.0 CB B:HIS51 4.5 40.7 1.0 NE2 B:GLN48 4.6 55.2 1.0 C A:HIS51 4.6 42.8 1.0 O A:HIS51 4.6 39.0 1.0 CB B:GLN48 4.8 43.0 1.0 CD B:GLN48 4.9 51.4 1.0 CG B:LEU47 4.9 36.8 1.0 CD2 A:HIS51 5.0 44.8 1.0 C A:LEU50 5.0 38.7 1.0 CD1 B:LEU47 5.0 39.7 1.0

Chlorine binding site 3 out of 4 in the The Crystal Structure of Hucr Mutant (Hucr-E48Q) From Deinococcus Radiodurans


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Crystal Structure of Hucr Mutant (Hucr-E48Q) From Deinococcus Radiodurans within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:44.5 occ:1.00 O A:HOH331 3.1 40.3 1.0 NH2 B:ARG80 3.1 33.1 1.0 O B:HOH330 3.1 42.1 1.0 O B:HOH311 3.2 45.4 1.0 NE B:ARG80 3.3 35.4 1.0 O A:HOH337 3.5 48.0 1.0 CZ B:ARG80 3.6 35.0 1.0 O A:HOH315 3.8 50.0 1.0 CZ2 A:TRP20 3.9 39.8 1.0 CD2 B:LEU76 4.0 41.5 1.0 CD1 A:LEU45 4.3 46.9 1.0 CG B:LEU76 4.6 39.7 1.0 CD B:ARG80 4.6 35.0 1.0 CE2 A:TRP20 4.7 37.4 1.0 NE1 A:TRP20 4.7 34.9 1.0 CB B:ALA97 4.7 43.2 1.0 CH2 A:TRP20 4.8 39.6 1.0 CB A:LEU45 5.0 37.1 1.0 OD1 B:ASP73 5.0 44.3 1.0 NH1 B:ARG80 5.0 35.3 1.0 O A:MET41 5.0 38.7 1.0

Chlorine binding site 4 out of 4 in the The Crystal Structure of Hucr Mutant (Hucr-E48Q) From Deinococcus Radiodurans


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Crystal Structure of Hucr Mutant (Hucr-E48Q) From Deinococcus Radiodurans within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl202 b:51.2 occ:1.00 O B:HOH327 3.0 37.6 1.0 O A:HOH322 3.0 41.5 1.0 ND1 B:HIS51 3.1 41.0 1.0 CB B:HIS51 3.5 40.7 1.0 CA B:HIS51 3.5 39.9 1.0 O A:LEU47 3.6 37.5 1.0 C A:LEU47 3.7 36.7 1.0 CG B:HIS51 3.7 41.0 1.0 CB A:LEU47 3.7 35.6 1.0 N A:GLN48 3.9 41.9 1.0 CD1 B:LEU54 4.0 40.0 1.0 CA A:GLN48 4.0 42.8 1.0 O B:HOH317 4.1 48.5 1.0 O A:HOH328 4.1 40.8 1.0 CE1 B:HIS51 4.2 42.4 1.0 N B:HIS51 4.4 38.6 1.0 CA A:LEU47 4.4 37.2 1.0 CB A:HIS51 4.4 42.6 1.0 NE2 A:GLN48 4.6 54.6 1.0 C B:HIS51 4.6 41.0 1.0 O B:HIS51 4.7 36.5 1.0 CB A:GLN48 4.8 47.1 1.0 CD A:GLN48 4.9 51.5 1.0 CG A:LEU47 4.9 36.3 1.0 CD1 A:LEU47 5.0 38.9 1.0 CD2 B:HIS51 5.0 42.9 1.0 C B:LEU50 5.0 38.5 1.0

D.K.Deochand, I.C.Perera, R.B.Crochet, N.C.Gilbert, M.E.Newcomer, A.Grove. Histidine Switch Controlling pH-Dependent Protein Folding and Dna Binding in A Transcription Factor at the Core of Synthetic Network Devices. Mol Biosyst V. 12 2417 2016.
ISSN: ESSN 1742-2051
PubMed: 27282811
DOI: 10.1039/C6MB00304D