Chlorine in PDB 3kqf: 1.8 Angstrom Resolution Crystal Structure of Enoyl-Coa Hydratase From Bacillus Anthracis.

All present enzymatic activity of 1.8 Angstrom Resolution Crystal Structure of Enoyl-Coa Hydratase From Bacillus Anthracis.:
4.2.1.17;

The structure of 1.8 Angstrom Resolution Crystal Structure of Enoyl-Coa Hydratase From Bacillus Anthracis., PDB code: 3kqf was solved by G.Minasov, A.Halavaty, Z.Wawrzak, T.Skarina, O.Onopriyenko, L.Papazisi, A.Savchenko, W.F.Anderson, Center For Structural Genomics Ofinfectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.87 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	73.747, 130.721, 73.802, 90.00, 114.47, 90.00
R / Rfree (%)	15.6 / 19.3

The structure of 1.8 Angstrom Resolution Crystal Structure of Enoyl-Coa Hydratase From Bacillus Anthracis. also contains other interesting chemical elements:

Calcium

(Ca)

5 atoms

The binding sites of Chlorine atom in the 1.8 Angstrom Resolution Crystal Structure of Enoyl-Coa Hydratase From Bacillus Anthracis. (pdb code 3kqf). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the 1.8 Angstrom Resolution Crystal Structure of Enoyl-Coa Hydratase From Bacillus Anthracis., PDB code: 3kqf:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the 1.8 Angstrom Resolution Crystal Structure of Enoyl-Coa Hydratase From Bacillus Anthracis.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 1.8 Angstrom Resolution Crystal Structure of Enoyl-Coa Hydratase From Bacillus Anthracis. within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl264 b:44.8 occ:1.00 O E:HOH644 2.8 27.5 1.0 N E:VAL184 3.1 14.1 1.0 O E:HOH455 3.3 33.6 1.0 O E:VAL184 3.5 16.4 1.0 CA E:PHE183 3.5 15.8 1.0 C E:PHE183 3.8 14.4 1.0 CD E:LYS176 3.9 26.2 1.0 CB E:PHE183 4.0 15.6 1.0 CA E:VAL184 4.1 15.0 1.0 C E:VAL184 4.2 15.9 1.0 CD1 E:PHE183 4.2 17.7 1.0 O E:GLU182 4.4 16.2 1.0 O F:HOH598 4.5 43.9 1.0 CE E:LYS176 4.5 29.3 1.0 CB E:VAL184 4.6 15.5 1.0 CG E:PHE183 4.6 16.5 1.0 NZ E:LYS176 4.6 33.3 1.0 N E:PHE183 4.7 15.7 1.0 CG E:LYS176 4.9 22.1 1.0 C E:GLU182 4.9 16.7 1.0 O F:HOH578 5.0 30.9 1.0

Chlorine binding site 2 out of 2 in the 1.8 Angstrom Resolution Crystal Structure of Enoyl-Coa Hydratase From Bacillus Anthracis.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 1.8 Angstrom Resolution Crystal Structure of Enoyl-Coa Hydratase From Bacillus Anthracis. within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl265 b:41.6 occ:1.00 NE E:ARG244 2.9 22.2 1.0 OH E:TYR235 3.0 20.9 1.0 NH1 F:ARG73 3.1 23.9 1.0 NH1 E:ARG244 3.1 25.1 1.0 CZ E:ARG244 3.5 21.3 1.0 CD F:ARG73 3.6 20.3 1.0 CG F:ARG73 3.8 19.0 1.0 CG1 F:VAL81 3.8 16.2 1.0 CD E:ARG244 4.0 18.4 1.0 CZ E:TYR235 4.1 22.6 1.0 CZ F:ARG73 4.1 23.9 1.0 CG2 F:ILE141 4.2 17.0 1.0 NE F:ARG73 4.3 23.5 1.0 CE2 E:TYR235 4.4 22.4 1.0 CD1 F:ILE141 4.4 23.8 1.0 CG E:ARG244 4.6 13.8 1.0 NH2 E:ARG244 4.8 21.6 1.0 CG2 F:VAL81 4.9 14.7 1.0 CB F:VAL81 5.0 16.6 1.0

G.Minasov, A.Halavaty, Z.Wawrzak, T.Skarina, O.Onopriyenko, L.Papazisi, A.Savchenko, W.F.Anderson. 1.8 Angstrom Resolution Crystal Structure of Enoyl-Coa Hydratase From Bacillus Anthracis. To Be Published.