Chlorine in PDB 3inp: 2.05 Angstrom Resolution Crystal Structure of D-Ribulose-Phosphate 3- Epimerase From Francisella Tularensis.

All present enzymatic activity of 2.05 Angstrom Resolution Crystal Structure of D-Ribulose-Phosphate 3- Epimerase From Francisella Tularensis.:
5.1.3.1;

The structure of 2.05 Angstrom Resolution Crystal Structure of D-Ribulose-Phosphate 3- Epimerase From Francisella Tularensis., PDB code: 3inp was solved by G.Minasov, L.Shuvalova, I.Dubrovska, J.Winsor, P.Scott, W.F.Anderson, 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)	29.94 / 2.05
Space group	F 41 3 2
Cell size a, b, c (Å), α, β, γ (°)	224.080, 224.080, 224.080, 90.00, 90.00, 90.00
R / Rfree (%)	15.8 / 17.7

The binding sites of Chlorine atom in the 2.05 Angstrom Resolution Crystal Structure of D-Ribulose-Phosphate 3- Epimerase From Francisella Tularensis. (pdb code 3inp). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the 2.05 Angstrom Resolution Crystal Structure of D-Ribulose-Phosphate 3- Epimerase From Francisella Tularensis., PDB code: 3inp:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the 2.05 Angstrom Resolution Crystal Structure of D-Ribulose-Phosphate 3- Epimerase From Francisella Tularensis.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 2.05 Angstrom Resolution Crystal Structure of D-Ribulose-Phosphate 3- Epimerase From Francisella Tularensis. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl223 b:46.5 occ:0.50 CL A:CL223 0.0 46.5 0.5 CL A:CL223 1.6 38.1 0.5 O A:HOH367 2.4 9.2 1.0 ND1 A:HIS98 3.0 15.9 0.5 CB A:HIS98 3.2 10.5 0.5 CA A:HIS98 3.3 11.5 0.5 CA A:HIS98 3.4 10.5 0.5 CG A:HIS98 3.6 14.4 0.5 CB A:HIS98 3.6 10.1 0.5 O A:HOH237 3.7 11.4 1.0 C A:HIS98 3.9 11.0 0.5 C A:HIS98 4.0 10.4 0.5 CE1 A:HIS98 4.2 14.8 0.5 N A:ILE99 4.2 10.3 1.0 O A:GLU97 4.3 11.3 0.5 O A:GLU97 4.4 13.8 0.5 O A:HIS98 4.4 12.1 0.5 N A:ASP100 4.6 11.8 1.0 N A:HIS98 4.6 10.8 0.5 N A:HIS98 4.6 11.8 0.5 O A:HIS98 4.7 10.6 0.5 CB A:ASP100 4.7 13.0 1.0 N A:ARG101 4.8 12.9 1.0 CD2 A:HIS98 4.9 11.2 0.5 C A:GLU97 4.9 11.4 0.5 C A:GLU97 5.0 12.4 0.5 O A:HOH376 5.0 7.7 0.5

Chlorine binding site 2 out of 3 in the 2.05 Angstrom Resolution Crystal Structure of D-Ribulose-Phosphate 3- Epimerase From Francisella Tularensis.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 2.05 Angstrom Resolution Crystal Structure of D-Ribulose-Phosphate 3- Epimerase From Francisella Tularensis. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl223 b:38.1 occ:0.50 CL A:CL223 0.0 38.1 0.5 CL A:CL223 1.6 46.5 0.5 O A:HOH367 2.6 9.2 1.0 N A:ARG101 3.3 12.9 1.0 CB A:HIS98 3.4 10.5 0.5 C A:HIS98 3.5 11.0 0.5 N A:ASP100 3.5 11.8 1.0 CA A:HIS98 3.5 10.5 0.5 CA A:HIS98 3.5 11.5 0.5 C A:HIS98 3.5 10.4 0.5 CB A:HIS98 3.5 10.1 0.5 CB A:ASP100 3.5 13.0 1.0 O A:HIS98 3.6 12.1 0.5 O A:HIS98 3.8 10.6 0.5 CA A:ASP100 3.9 12.4 1.0 N A:ILE99 3.9 10.3 1.0 CB A:ARG101 4.0 15.8 1.0 C A:ASP100 4.1 12.9 1.0 ND1 A:HIS98 4.1 15.9 0.5 CG A:HIS98 4.2 14.4 0.5 CA A:ARG101 4.2 13.6 1.0 C A:ILE99 4.4 10.0 1.0 O A:HOH237 4.4 11.4 1.0 CA A:ILE99 4.7 10.8 1.0 CG A:HIS98 4.9 10.6 0.5 CG A:ASP100 4.9 20.1 1.0 N A:HIS98 4.9 10.8 0.5 N A:HIS98 5.0 11.8 0.5

Chlorine binding site 3 out of 3 in the 2.05 Angstrom Resolution Crystal Structure of D-Ribulose-Phosphate 3- Epimerase From Francisella Tularensis.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 2.05 Angstrom Resolution Crystal Structure of D-Ribulose-Phosphate 3- Epimerase From Francisella Tularensis. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl224 b:64.6 occ:1.00 O A:HOH241 3.0 16.8 1.0 O A:HOH386 3.2 42.6 1.0 O A:HOH369 3.3 26.8 1.0 O A:HOH370 3.6 22.1 0.3 CB A:PRO73 3.7 13.6 1.0 CB A:ASP75 3.7 13.2 1.0 N A:ASP75 4.0 11.8 1.0 CG A:ASP75 4.1 16.1 1.0 CG A:PRO73 4.2 15.3 1.0 OD2 A:ASP75 4.2 19.0 1.0 CA A:ASP75 4.4 13.0 1.0 O A:HOH370 4.5 12.9 0.7 N A:VAL74 4.6 13.3 1.0 CE1 A:HIS98 4.6 10.3 0.5 NE2 A:HIS98 4.6 11.1 0.5 OD1 A:ASP75 4.8 17.4 1.0 N A:ALA76 4.9 12.0 1.0 O A:HOH275 4.9 27.6 1.0 CA A:PRO73 5.0 13.1 1.0

G.Minasov, L.Shuvalova, I.Dubrovska, J.Winsor, P.Scott, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid). 2.05 Angstrom Resolution Crystal Structure of D-Ribulose-Phosphate 3-Epimerase From Francisella Tularensis. To Be Published.