Chlorine in PDB 4rit: The Yellow Crystal Structure of Pyridoxal-Dependent Decarboxylase From Sphaerobacter Thermophilus Dsm 20745

All present enzymatic activity of The Yellow Crystal Structure of Pyridoxal-Dependent Decarboxylase From Sphaerobacter Thermophilus Dsm 20745:
4.1.1.15;

The structure of The Yellow Crystal Structure of Pyridoxal-Dependent Decarboxylase From Sphaerobacter Thermophilus Dsm 20745, PDB code: 4rit was solved by R.Wu, S.Clancy, A.Joachimiak, Midwest Center For Structural Genomics(Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.59 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	77.483, 118.566, 126.018, 90.00, 90.00, 90.00
R / Rfree (%)	15 / 17.3

The binding sites of Chlorine atom in the The Yellow Crystal Structure of Pyridoxal-Dependent Decarboxylase From Sphaerobacter Thermophilus Dsm 20745 (pdb code 4rit). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the The Yellow Crystal Structure of Pyridoxal-Dependent Decarboxylase From Sphaerobacter Thermophilus Dsm 20745, PDB code: 4rit:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the The Yellow Crystal Structure of Pyridoxal-Dependent Decarboxylase From Sphaerobacter Thermophilus Dsm 20745


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Yellow Crystal Structure of Pyridoxal-Dependent Decarboxylase From Sphaerobacter Thermophilus Dsm 20745 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:31.6 occ:1.00 O B:HOH709 3.2 26.1 1.0 N B:LEU397 3.3 20.6 1.0 NE B:ARG396 3.7 33.9 0.5 CA B:ARG396 3.8 21.0 0.5 CA B:ARG396 3.8 21.0 0.5 CG B:LEU397 3.9 25.1 1.0 C B:ARG396 4.0 21.6 0.5 CB B:LEU397 4.0 22.0 1.0 C B:ARG396 4.0 21.5 0.5 CG B:ARG396 4.1 36.5 0.5 O B:LEU395 4.2 23.3 1.0 CD1 B:LEU397 4.2 29.5 1.0 CA B:LEU397 4.2 21.2 1.0 CG1 B:VAL389 4.4 22.1 1.0 NH1 B:ARG396 4.4 44.2 0.5 CD B:ARG396 4.4 31.7 0.5 CB B:ARG396 4.5 24.3 0.5 CB B:ARG396 4.5 24.4 0.5 CZ B:ARG396 4.5 38.6 0.5 CD B:ARG396 4.6 47.6 0.5 CA B:ARG390 4.6 25.6 1.0 CG B:ARG390 4.6 30.4 1.0 O B:VAL389 4.8 23.1 1.0 N B:ARG396 4.8 20.4 0.5 N B:ARG396 4.8 20.3 0.5 O B:LEU397 4.9 21.3 1.0 C B:LEU395 4.9 22.4 1.0 N B:ARG390 5.0 21.7 1.0

Chlorine binding site 2 out of 3 in the The Yellow Crystal Structure of Pyridoxal-Dependent Decarboxylase From Sphaerobacter Thermophilus Dsm 20745


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Yellow Crystal Structure of Pyridoxal-Dependent Decarboxylase From Sphaerobacter Thermophilus Dsm 20745 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl502 b:30.5 occ:1.00 O A:HOH643 2.8 25.5 1.0 O A:HOH686 2.9 30.3 1.0 O B:HOH616 2.9 22.4 1.0 O B:HOH661 3.1 29.8 1.0 CB A:HIS353 3.7 22.8 1.0 O B:HOH621 3.8 21.3 1.0 CB B:HIS353 3.8 23.8 1.0 OG1 B:THR311 3.9 25.5 1.0 CG A:HIS353 3.9 22.4 1.0 OG1 A:THR311 3.9 25.4 1.0 O B:HOH631 3.9 24.2 1.0 ND1 A:HIS353 4.0 21.4 1.0 CG B:HIS353 4.0 24.2 1.0 ND1 B:HIS353 4.1 25.0 1.0 OD1 A:ASP355 4.3 25.4 1.0 OD1 B:ASP355 4.4 22.4 1.0 OG A:SER149 4.5 20.6 1.0 OG B:SER149 4.6 21.0 1.0 CD2 A:HIS353 4.6 24.0 1.0 CD2 B:HIS353 4.8 24.5 1.0 CE1 A:HIS353 4.8 22.8 1.0 OD2 A:ASP355 4.9 27.0 1.0 CE1 B:HIS353 4.9 24.6 1.0 N B:THR311 5.0 16.0 1.0

Chlorine binding site 3 out of 3 in the The Yellow Crystal Structure of Pyridoxal-Dependent Decarboxylase From Sphaerobacter Thermophilus Dsm 20745


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Yellow Crystal Structure of Pyridoxal-Dependent Decarboxylase From Sphaerobacter Thermophilus Dsm 20745 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:45.4 occ:1.00 N A:LEU397 3.2 30.8 1.0 O A:HOH762 3.5 43.6 1.0 CB A:LEU397 3.7 30.8 1.0 CA A:ARG396 3.8 38.0 1.0 CG A:LEU397 3.9 34.7 1.0 C A:ARG396 4.0 34.3 1.0 CA A:LEU397 4.0 29.1 1.0 CG A:ARG396 4.2 41.3 1.0 O A:LEU395 4.3 43.5 1.0 CD1 A:LEU397 4.3 39.9 1.0 CG1 A:VAL389 4.5 31.3 1.0 CB A:ARG396 4.5 39.4 1.0 O A:LEU397 4.7 28.2 1.0 C A:LEU397 4.9 27.0 1.0 N A:ARG396 4.9 30.3 1.0 CG A:ARG390 4.9 42.1 1.0

R.Wu, S.Clancy, A.Joachimiak, Midwest Center For Structural Genomics (Mcsg). The Yellow Crystal Structure of Pyridoxal-Dependent Decarboxylase From Sphaerobacter Thermophilus Dsm 20745 To Be Published.