Chlorine in PDB 3rqb: Crystal Structure of Conserved Protein of Unknown Function with Hot Dog Fold From Alicyclobacillus Acidocaldarius

The structure of Crystal Structure of Conserved Protein of Unknown Function with Hot Dog Fold From Alicyclobacillus Acidocaldarius, PDB code: 3rqb was solved by Y.Kim, G.Chhor, J.Bearden, A.Joachimiak, Midwest Center For Structuralgenomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.48 / 2.80
Space group	P 63 2 2
Cell size a, b, c (Å), α, β, γ (°)	109.645, 109.645, 192.614, 90.00, 90.00, 120.00
R / Rfree (%)	17.5 / 25.7

The binding sites of Chlorine atom in the Crystal Structure of Conserved Protein of Unknown Function with Hot Dog Fold From Alicyclobacillus Acidocaldarius (pdb code 3rqb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Conserved Protein of Unknown Function with Hot Dog Fold From Alicyclobacillus Acidocaldarius, PDB code: 3rqb:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Conserved Protein of Unknown Function with Hot Dog Fold From Alicyclobacillus Acidocaldarius


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 Conserved Protein of Unknown Function with Hot Dog Fold From Alicyclobacillus Acidocaldarius within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl281 b:79.0 occ:1.00 CD2 A:TYR211 3.2 41.0 1.0 CE2 A:TYR211 3.2 41.7 1.0 CG A:TYR211 3.5 36.3 1.0 CG2 A:THR209 3.6 42.2 1.0 CZ A:TYR211 3.7 40.6 1.0 OG1 B:THR259 3.8 63.6 1.0 OG1 A:THR259 3.9 68.4 1.0 CD1 A:TYR211 3.9 33.7 1.0 O A:THR257 3.9 45.0 1.0 OG1 A:THR257 3.9 45.2 1.0 CE1 A:TYR211 4.0 39.8 1.0 CA A:THR258 4.0 42.0 1.0 C A:THR258 4.0 39.9 1.0 N A:THR259 4.0 45.2 1.0 CB B:THR259 4.1 56.6 1.0 O A:THR209 4.1 44.1 1.0 C A:THR257 4.1 42.3 1.0 CG2 B:THR259 4.1 59.2 1.0 N A:THR258 4.2 46.6 1.0 N A:TYR211 4.2 47.8 1.0 CB A:THR209 4.2 45.4 1.0 CB A:TYR211 4.3 33.5 1.0 C A:THR209 4.4 43.5 1.0 OH A:TYR211 4.4 32.8 1.0 CG2 A:THR259 4.4 72.2 1.0 CB A:THR257 4.6 44.8 1.0 O A:THR258 4.6 39.9 1.0 CB A:THR259 4.6 66.2 1.0 C A:VAL210 4.8 52.3 1.0 N A:VAL210 4.8 46.4 1.0 CA A:VAL210 4.9 49.6 1.0 CA A:TYR211 4.9 41.1 1.0 CA A:THR259 5.0 50.8 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Conserved Protein of Unknown Function with Hot Dog Fold From Alicyclobacillus Acidocaldarius


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 Conserved Protein of Unknown Function with Hot Dog Fold From Alicyclobacillus Acidocaldarius within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl281 b:72.4 occ:1.00 O B:HOH296 3.2 38.5 1.0 O B:HOH276 3.8 47.8 1.0 CG2 B:THR92 4.2 52.9 1.0 OG1 A:THR94 4.8 41.6 1.0 CB B:THR92 4.9 49.5 1.0 CG2 B:VAL80 4.9 42.5 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Conserved Protein of Unknown Function with Hot Dog Fold From Alicyclobacillus Acidocaldarius


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 Conserved Protein of Unknown Function with Hot Dog Fold From Alicyclobacillus Acidocaldarius within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl282 b:79.8 occ:1.00 O B:HOH297 3.7 67.0 1.0 O B:PRO36 4.1 56.3 1.0 CD1 B:PHE66 4.4 35.7 1.0 O B:THR205 4.6 37.4 1.0 O B:VAL34 4.7 76.9 1.0 CG B:PHE66 4.7 32.3 1.0 CB B:PHE66 4.8 28.4 1.0 N B:THR205 4.9 58.0 1.0 CE1 B:PHE66 5.0 33.8 1.0

Y.Kim, G.Chhor, J.Bearden, A.Joachimiak. Crystal Structure of Conserved Protein of Unknown Function with HOT_DOG Fold From Alicyclobacillus Acidocaldarius To Be Published.