Chlorine in PDB 3slf: Crystal Structure of BA2930 in Complex with Accoa and Uracil

All present enzymatic activity of Crystal Structure of BA2930 in Complex with Accoa and Uracil:
2.3.1.81;

The structure of Crystal Structure of BA2930 in Complex with Accoa and Uracil, PDB code: 3slf was solved by M.M.Klimecka, M.Chruszcz, P.J.Porebski, M.Cymborowski, W.Anderson, W.Minor, Center For 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)	50.00 / 2.05
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	36.716, 109.996, 133.072, 90.00, 90.00, 90.00
R / Rfree (%)	19 / 24.5

The binding sites of Chlorine atom in the Crystal Structure of BA2930 in Complex with Accoa and Uracil (pdb code 3slf). 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 BA2930 in Complex with Accoa and Uracil, PDB code: 3slf:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of BA2930 in Complex with Accoa and Uracil


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 BA2930 in Complex with Accoa and Uracil within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl267 b:28.4 occ:1.00 O A:HOH308 2.8 20.0 1.0 O A:HOH295 3.1 22.2 1.0 N A:THR31 3.1 10.8 1.0 CA A:MSE30 3.7 12.7 1.0 O A:ASP166 3.9 13.0 1.0 CE2 A:TYR168 3.9 18.0 1.0 CD2 A:TYR168 3.9 15.5 1.0 C A:MSE30 3.9 11.4 1.0 CB A:THR31 4.0 11.0 1.0 CG A:MSE30 4.0 16.8 1.0 CA A:THR31 4.1 10.4 1.0 O A:THR31 4.1 11.2 1.0 OG1 A:THR31 4.2 13.0 1.0 CB A:MSE30 4.3 13.4 1.0 CA A:GLY167 4.4 11.3 1.0 O A:LEU165 4.5 13.8 1.0 C A:THR31 4.6 10.1 1.0 O A:GLY29 4.6 12.5 1.0 C A:ASP166 4.6 12.9 1.0 N A:MSE30 4.8 12.3 1.0 N A:GLY167 4.9 11.8 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of BA2930 in Complex with Accoa and Uracil


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 BA2930 in Complex with Accoa and Uracil within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl268 b:43.4 occ:1.00 O A:HOH352 2.9 34.1 1.0 NH2 A:ARG262 3.3 27.4 1.0 NH1 A:ARG262 3.4 27.0 1.0 CZ A:ARG262 3.8 27.7 1.0 O A:HOH350 4.1 36.5 1.0 CG2 A:THR258 4.5 19.2 1.0 O A:HOH283 4.9 17.2 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of BA2930 in Complex with Accoa and Uracil


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 BA2930 in Complex with Accoa and Uracil within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl269 b:36.4 occ:1.00 N A:LYS244 3.1 21.4 1.0 CA A:ALA243 3.7 21.2 1.0 CA A:GLY173 3.7 16.7 1.0 O A:HOH345 3.8 34.4 1.0 C A:ALA243 3.9 21.2 1.0 CB A:LYS244 4.0 22.9 1.0 CA A:LYS244 4.0 22.1 1.0 CB A:SER40 4.1 20.6 1.0 CB A:ALA243 4.2 19.5 1.0 CG A:LYS244 4.2 28.5 1.0 O A:ASN242 4.3 23.7 1.0 O A:LYS244 4.3 19.4 1.0 O A:GLY173 4.4 17.9 1.0 C A:GLY173 4.4 17.3 1.0 C A:LYS244 4.7 19.9 1.0 O A:SER40 4.7 22.9 1.0 OG A:SER40 4.7 17.8 1.0 N A:ALA243 4.8 21.9 1.0 N A:GLY173 4.8 14.7 1.0 C A:ASN242 5.0 23.4 1.0

M.M.Klimecka, M.Chruszcz, P.J.Porebski, M.Cymborowski, W.Anderson, W.Minor, Center For Structural Genomics Of Infectious Diseases(Csgid). Crystal Structure of BA2930 in Complex with Accoa and Uracil To Be Published.