Chlorine in PDB 4rm1: The Crystal Structure of Y333Q Mutant Pyridoxal-Dependent Decarboxylase From Sphaerobacter Thermophilus Dsm 20745

All present enzymatic activity of The Crystal Structure of Y333Q Mutant Pyridoxal-Dependent Decarboxylase From Sphaerobacter Thermophilus Dsm 20745:
4.1.1.15;

The structure of The Crystal Structure of Y333Q Mutant Pyridoxal-Dependent Decarboxylase From Sphaerobacter Thermophilus Dsm 20745, PDB code: 4rm1 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)	45.12 / 1.99
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	69.548, 125.004, 132.242, 90.00, 99.62, 90.00
R / Rfree (%)	16.9 / 20.3

The binding sites of Chlorine atom in the The Crystal Structure of Y333Q Mutant Pyridoxal-Dependent Decarboxylase From Sphaerobacter Thermophilus Dsm 20745 (pdb code 4rm1). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the The Crystal Structure of Y333Q Mutant Pyridoxal-Dependent Decarboxylase From Sphaerobacter Thermophilus Dsm 20745, PDB code: 4rm1:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the The Crystal Structure of Y333Q Mutant 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 Crystal Structure of Y333Q Mutant Pyridoxal-Dependent Decarboxylase From Sphaerobacter Thermophilus Dsm 20745 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl505 b:22.4 occ:1.00 O B:HOH648 3.0 13.9 1.0 O A:HOH714 3.0 18.7 1.0 O B:HOH740 3.0 21.1 1.0 O A:HOH621 3.0 15.8 1.0 CB B:HIS353 3.5 16.6 1.0 CB A:HIS353 3.6 18.7 1.0 CG B:HIS353 3.8 19.9 1.0 O A:HOH617 3.8 16.7 1.0 O B:HOH612 3.8 15.1 1.0 CG A:HIS353 3.8 16.1 1.0 OG1 B:THR311 3.9 20.3 1.0 OG1 A:THR311 3.9 19.3 1.0 ND1 B:HIS353 3.9 17.9 1.0 ND1 A:HIS353 4.1 13.0 1.0 OD1 B:ASP355 4.3 19.1 1.0 OD1 A:ASP355 4.4 15.3 1.0 CD2 B:HIS353 4.5 19.7 1.0 CD2 A:HIS353 4.5 11.7 1.0 OG B:SER149 4.5 14.1 1.0 OG A:SER149 4.6 16.2 1.0 CE1 B:HIS353 4.7 14.6 1.0 CE1 A:HIS353 4.8 18.0 1.0 OD2 B:ASP355 4.9 18.4 1.0 N A:THR311 5.0 15.0 1.0 NE2 B:HIS353 5.0 16.6 1.0 CA B:HIS353 5.0 12.7 1.0

Chlorine binding site 2 out of 2 in the The Crystal Structure of Y333Q Mutant 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 Crystal Structure of Y333Q Mutant Pyridoxal-Dependent Decarboxylase From Sphaerobacter Thermophilus Dsm 20745 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl501 b:26.1 occ:1.00 O D:HOH654 2.8 20.8 1.0 O C:HOH2140 3.0 19.8 1.0 O D:HOH668 3.1 17.6 1.0 O C:HOH2156 3.2 18.0 1.0 CB D:HIS353 3.6 22.6 1.0 CB C:HIS353 3.7 16.5 1.0 CG C:HIS353 3.9 24.6 1.0 CG D:HIS353 3.9 19.1 1.0 OG1 D:THR311 3.9 25.3 1.0 O C:HOH2115 3.9 19.9 1.0 ND1 C:HIS353 3.9 19.2 1.0 O D:HOH615 4.0 17.9 1.0 OG1 C:THR311 4.0 23.6 1.0 ND1 D:HIS353 4.0 22.8 1.0 OD1 D:ASP355 4.3 18.1 1.0 OD1 C:ASP355 4.5 24.3 1.0 OG C:SER149 4.5 21.1 1.0 OG D:SER149 4.5 22.0 1.0 CD2 D:HIS353 4.6 22.2 1.0 CD2 C:HIS353 4.6 25.4 1.0 CE1 C:HIS353 4.7 16.7 1.0 CE1 D:HIS353 4.8 18.9 1.0 N D:THR311 5.0 16.8 1.0

R.Wu, S.Clancy, A.Joachimiak, Midwest Center For Structural Genomics (Mcsg). The Crystal Structure of Y333Q Mutant Pyridoxal-Dependent Decarboxylase From Sphaerobacter Thermophilus Dsm 20745 To Be Published.