Chlorine in PDB 3aw8: Crystal Structure of N5-Carboxyaminoimidazole Ribonucleotide Synthetase From Thermus Thermophilus HB8

All present enzymatic activity of Crystal Structure of N5-Carboxyaminoimidazole Ribonucleotide Synthetase From Thermus Thermophilus HB8:
6.3.4.18;

The structure of Crystal Structure of N5-Carboxyaminoimidazole Ribonucleotide Synthetase From Thermus Thermophilus HB8, PDB code: 3aw8 was solved by K.Okada, S.Tsunoda, H.Taka, S.Baba, M.Kanagawa, N.Nakagawa, A.Ebihara, S.Kuramitsu, S.Yokoyama, G.Kawai, G.Sampei, Riken Structuralgenomics/Proteomics Initiative (Rsgi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.06 / 2.60
Space group	P 41
Cell size a, b, c (Å), α, β, γ (°)	81.260, 81.260, 203.163, 90.00, 90.00, 90.00
R / Rfree (%)	20.9 / 25.5

The binding sites of Chlorine atom in the Crystal Structure of N5-Carboxyaminoimidazole Ribonucleotide Synthetase From Thermus Thermophilus HB8 (pdb code 3aw8). 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 N5-Carboxyaminoimidazole Ribonucleotide Synthetase From Thermus Thermophilus HB8, PDB code: 3aw8:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of N5-Carboxyaminoimidazole Ribonucleotide Synthetase From Thermus Thermophilus HB8


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 N5-Carboxyaminoimidazole Ribonucleotide Synthetase From Thermus Thermophilus HB8 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl371 b:45.8 occ:1.00 N A:CYS35 3.3 37.9 1.0 O A:HOH455 3.5 66.0 1.0 CE A:LYS328 3.5 34.6 1.0 SG A:CYS35 3.6 39.5 1.0 CA A:GLY8 3.8 31.6 1.0 CD A:LYS328 3.8 35.9 1.0 CG A:LYS328 3.9 38.5 1.0 CA A:ALA34 3.9 42.1 1.0 O A:GLY7 3.9 34.1 1.0 CB A:CYS35 4.0 36.4 1.0 C A:ALA34 4.1 40.1 1.0 NH1 A:ARG334 4.1 52.3 1.0 CA A:CYS35 4.3 37.3 1.0 NZ A:LYS328 4.4 34.7 1.0 C A:GLY8 4.4 31.4 1.0 N A:GLY8 4.5 30.9 1.0 C A:GLY7 4.5 33.7 1.0 CB A:ALA34 4.6 40.7 1.0 N A:GLN9 4.6 29.9 1.0 O A:GLU33 4.6 45.8 1.0 O A:HOH430 4.7 34.6 1.0 OE1 A:GLN9 4.7 27.4 1.0 N A:ALA34 4.9 43.6 1.0 CB A:LYS328 5.0 37.1 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of N5-Carboxyaminoimidazole Ribonucleotide Synthetase From Thermus Thermophilus HB8


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 N5-Carboxyaminoimidazole Ribonucleotide Synthetase From Thermus Thermophilus HB8 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl371 b:47.7 occ:1.00 CD B:LYS328 3.2 36.3 1.0 N B:CYS35 3.3 37.5 1.0 O B:HOH466 3.5 57.1 1.0 SG B:CYS35 3.7 38.5 1.0 CA B:GLY8 3.8 29.2 1.0 CA B:ALA34 3.8 41.8 1.0 CG B:LYS328 4.1 36.6 1.0 O B:GLY7 4.1 29.5 1.0 C B:ALA34 4.1 39.8 1.0 CB B:CYS35 4.1 36.4 1.0 CE B:LYS328 4.2 36.0 1.0 NZ B:LYS328 4.3 34.1 1.0 CA B:CYS35 4.3 37.8 1.0 NH1 B:ARG334 4.4 55.4 1.0 C B:GLY8 4.4 30.1 1.0 N B:GLY8 4.5 29.8 1.0 C B:GLY7 4.5 30.8 1.0 CB B:ALA34 4.7 41.2 1.0 N B:GLN9 4.7 29.6 1.0 O B:GLU33 4.7 46.4 1.0 N B:ALA34 4.8 44.5 1.0 OE1 B:GLN9 4.8 29.3 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of N5-Carboxyaminoimidazole Ribonucleotide Synthetase From Thermus Thermophilus HB8


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 N5-Carboxyaminoimidazole Ribonucleotide Synthetase From Thermus Thermophilus HB8 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl372 b:53.6 occ:1.00 O B:HOH445 2.9 40.5 1.0 OG B:SER277 3.1 37.9 1.0 CB B:SER277 3.5 37.2 1.0 CB B:ALA17 3.6 33.7 1.0 CG2 B:ILE271 3.8 37.1 1.0 CG1 B:ILE271 3.9 34.8 1.0 CD2 B:PHE279 4.0 33.0 1.0 CA B:ALA17 4.2 35.3 1.0 CB B:PHE279 4.3 32.6 1.0 CB B:ILE271 4.3 38.7 1.0 CA B:ILE271 4.5 40.7 1.0 CD1 B:ILE271 4.5 30.8 1.0 CG B:PHE279 4.6 31.5 1.0 N B:ALA17 4.6 34.7 1.0 O B:MET13 4.7 29.9 1.0 O B:HOH405 4.9 33.8 1.0 O B:HOH457 4.9 52.0 1.0 CE2 B:PHE279 4.9 31.9 1.0

K.Okada, H.Taka, S.Tsunoda, S.Tamura, R.Miyazawa, S.Baba, M.Kanagawa, N.Nakagawa, A.Ebihara, S.Kuramitsu, S.Yokoyama, G.Kawai, G.Sampei. Crystal Structures of N5-Carboxyaminoimidazole Ribonucleotide Synthetase, Purk, From Thermophilic Bacteria To Be Published.