Chlorine in PDB 4o1x: Crystal Structure of Human Thymidylate Synthase Double Mutant C195S- Y202C

All present enzymatic activity of Crystal Structure of Human Thymidylate Synthase Double Mutant C195S- Y202C:
2.1.1.45;

The structure of Crystal Structure of Human Thymidylate Synthase Double Mutant C195S- Y202C, PDB code: 4o1x was solved by C.Pozzi, S.Mangani, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.49 / 2.32
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	94.930, 95.520, 131.590, 90.00, 90.00, 90.00
R / Rfree (%)	20.6 / 26

The binding sites of Chlorine atom in the Crystal Structure of Human Thymidylate Synthase Double Mutant C195S- Y202C (pdb code 4o1x). 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 Human Thymidylate Synthase Double Mutant C195S- Y202C, PDB code: 4o1x:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Human Thymidylate Synthase Double Mutant C195S- Y202C


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 Human Thymidylate Synthase Double Mutant C195S- Y202C within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:59.6 occ:1.00 O A:LEU221 4.5 22.8 1.0 CG2 A:ILE108 4.5 37.3 1.0 CD2 A:LEU221 4.6 22.7 1.0 CG A:PHE225 4.6 21.3 1.0 CD2 A:PHE225 4.7 20.9 1.0 CB A:ILE108 4.7 38.5 1.0 CA A:GLY222 4.8 23.0 1.0 CD1 A:PHE225 4.8 20.0 1.0 CG A:LEU221 4.9 22.8 1.0 CB A:PHE225 4.9 18.9 1.0 CE2 A:PHE225 5.0 20.8 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Human Thymidylate Synthase Double Mutant C195S- Y202C


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 Human Thymidylate Synthase Double Mutant C195S- Y202C within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:48.1 occ:1.00 N A:GLY300 3.8 35.5 1.0 O A:HOH567 4.0 28.7 1.0 CA A:GLY300 4.6 30.1 1.0 CA A:GLU299 4.7 36.8 1.0 C A:GLU299 4.8 36.5 1.0 CG A:GLU299 4.9 47.5 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Human Thymidylate Synthase Double Mutant C195S- Y202C


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 Human Thymidylate Synthase Double Mutant C195S- Y202C within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:59.8 occ:1.00 NH2 A:ARG274 3.4 46.4 1.0 NH1 A:ARG274 3.6 40.2 1.0 CZ A:ARG274 4.0 43.6 1.0 CD A:PRO305 4.5 36.8 1.0 ND1 A:HIS304 4.8 37.4 1.0 CA A:HIS304 4.8 34.3 1.0 O A:PRO303 4.8 36.1 1.0

S.Ferrari, S.Mangani, C.Pozzi, M.P.Costi. Tethering the Dimer-Dimer Interface of Human Thymidylate Synthase To Be Published.