Chlorine in PDB 3tcs: Crystal Structure of A Putative Racemase From Roseobacter Denitrificans

The structure of Crystal Structure of A Putative Racemase From Roseobacter Denitrificans, PDB code: 3tcs was solved by S.Eswaramoorthy, S.Chamala, B.Evans, R.Foti, A.Gizzi, B.Hillerich, A.Kar, J.Lafleur, R.Seidel, G.Villigas, W.Zencheck, S.C.Almo, S.Swaminathan, Newyork Structural Genomics Research Consortium (Nysgrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.45 / 1.88
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	182.492, 64.745, 76.449, 90.00, 90.00, 90.00
R / Rfree (%)	19.5 / 21.6

The structure of Crystal Structure of A Putative Racemase From Roseobacter Denitrificans also contains other interesting chemical elements:

Magnesium

(Mg)

4 atoms

The binding sites of Chlorine atom in the Crystal Structure of A Putative Racemase From Roseobacter Denitrificans (pdb code 3tcs). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of A Putative Racemase From Roseobacter Denitrificans, PDB code: 3tcs:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of A Putative Racemase From Roseobacter Denitrificans


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 A Putative Racemase From Roseobacter Denitrificans within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl367 b:12.9 occ:1.00 O B:HOH401 3.0 13.7 1.0 O A:HOH377 3.1 12.3 1.0 N B:TYR77 3.4 9.4 1.0 N A:TYR77 3.4 11.8 1.0 N B:SER76 3.6 10.4 1.0 N A:SER76 3.7 12.7 1.0 CB B:TYR77 3.8 5.8 1.0 CB A:TYR77 3.8 9.0 1.0 C B:GLY75 3.9 12.2 1.0 CD2 A:TYR77 3.9 8.6 1.0 CD2 B:TYR77 4.0 6.2 1.0 C A:GLY75 4.0 13.2 1.0 CA B:GLY75 4.0 13.6 1.0 CA A:GLY75 4.1 14.8 1.0 CA B:TYR77 4.2 8.4 1.0 CA A:TYR77 4.2 10.1 1.0 CA B:SER76 4.2 9.3 1.0 C B:SER76 4.2 8.8 1.0 O B:PRO74 4.3 17.1 1.0 O A:PRO74 4.3 16.3 1.0 CA A:SER76 4.3 12.0 1.0 C A:SER76 4.3 12.4 1.0 CG A:TYR77 4.4 9.5 1.0 CG B:TYR77 4.4 6.7 1.0 CB B:SER76 4.6 8.1 1.0 CB A:SER76 4.6 11.3 1.0 O B:GLY75 4.6 11.2 1.0 O A:GLY75 4.7 14.2 1.0 N B:GLY75 4.9 14.5 1.0 N A:LEU78 4.9 8.5 1.0 N B:LEU78 4.9 7.8 1.0 C B:PRO74 4.9 15.4 1.0 N A:GLY75 5.0 12.9 1.0 C A:PRO74 5.0 15.2 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of A Putative Racemase From Roseobacter Denitrificans


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 A Putative Racemase From Roseobacter Denitrificans within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl367 b:22.2 occ:1.00 NH2 B:ARG267 3.2 13.4 1.0 N B:LEU240 3.3 11.7 1.0 NH1 B:ARG267 3.4 11.5 1.0 CZ B:ARG267 3.7 13.9 1.0 CB B:LEU240 3.8 11.2 1.0 CG B:LEU240 3.9 12.2 1.0 OD1 B:ASP239 3.9 28.8 1.0 O B:CYS238 3.9 12.2 1.0 NH2 B:ARG79 4.0 27.0 1.0 CA B:ASP239 4.0 14.6 1.0 C B:ASP239 4.1 13.5 1.0 CD B:PRO241 4.2 15.4 1.0 CA B:LEU240 4.2 12.0 1.0 NE B:ARG79 4.3 25.2 1.0 CD1 B:LEU240 4.4 13.2 1.0 CZ B:ARG79 4.6 24.5 1.0 CG B:ASP239 4.7 22.7 1.0 C B:CYS238 4.8 12.8 1.0 CB B:ASP239 4.9 18.3 1.0 N B:ASP239 4.9 13.8 1.0

S.Eswaramoorthy, S.C.Almo, S.Swaminathan. Crystal Structure of A Putative Racemase From Roseobacter Denitrificans To Be Published.