Chlorine in PDB 6q71: Crystal Structure of the Alanine Racemase BSU17640 From Bacillus Subtilis in the Presence of Bis-Tris Propane

The structure of Crystal Structure of the Alanine Racemase BSU17640 From Bacillus Subtilis in the Presence of Bis-Tris Propane, PDB code: 6q71 was solved by N.Bernardo-Garcia, F.Gago, J.A.Hermoso, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.32 / 1.92
Space group	P 43 2 2
Cell size a, b, c (Å), α, β, γ (°)	73.241, 73.241, 333.534, 90.00, 90.00, 90.00
R / Rfree (%)	20.4 / 23.2

The structure of Crystal Structure of the Alanine Racemase BSU17640 From Bacillus Subtilis in the Presence of Bis-Tris Propane also contains other interesting chemical elements:

Magnesium

(Mg)

3 atoms

The binding sites of Chlorine atom in the Crystal Structure of the Alanine Racemase BSU17640 From Bacillus Subtilis in the Presence of Bis-Tris Propane (pdb code 6q71). 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 the Alanine Racemase BSU17640 From Bacillus Subtilis in the Presence of Bis-Tris Propane, PDB code: 6q71:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the Alanine Racemase BSU17640 From Bacillus Subtilis in the Presence of Bis-Tris Propane


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 the Alanine Racemase BSU17640 From Bacillus Subtilis in the Presence of Bis-Tris Propane within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:41.7 occ:1.00 NE A:ARG139 3.0 30.0 1.0 O A:HOH610 3.2 34.0 1.0 O A:HOH559 3.2 35.7 1.0 NH2 A:ARG139 3.2 37.0 1.0 CZ A:ARG139 3.5 32.2 1.0 ND2 A:ASN132 3.6 28.9 1.0 N A:LEU140 3.6 40.7 1.0 CB A:ARG139 3.7 34.7 1.0 O A:HOH645 3.7 29.4 1.0 O A:LEU140 3.8 33.7 1.0 CG A:ARG139 4.0 37.8 1.0 CD A:ARG139 4.1 32.4 1.0 O A:HOH508 4.1 56.6 1.0 CB A:LEU140 4.2 32.7 1.0 CA A:LEU140 4.3 38.3 1.0 CG A:MET137 4.4 27.1 1.0 C A:LEU140 4.4 27.1 1.0 C A:ARG139 4.5 35.3 1.0 CB A:HIS169 4.5 56.9 1.0 CG A:ASN132 4.6 29.7 1.0 CA A:ARG139 4.6 35.0 1.0 OD1 A:ASN132 4.7 25.9 1.0 CG A:LEU140 4.8 31.2 1.0 CB A:MET137 4.9 34.5 1.0 NH1 A:ARG139 4.9 33.7 1.0 N A:ARG139 4.9 33.9 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the Alanine Racemase BSU17640 From Bacillus Subtilis in the Presence of Bis-Tris Propane


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 the Alanine Racemase BSU17640 From Bacillus Subtilis in the Presence of Bis-Tris Propane within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl402 b:47.1 occ:1.00 NE B:ARG139 3.0 32.1 1.0 O B:HOH532 3.2 36.6 1.0 O B:HOH604 3.2 34.7 1.0 NH2 B:ARG139 3.2 30.3 1.0 O B:HOH642 3.4 29.7 1.0 ND2 B:ASN132 3.5 36.6 1.0 CZ B:ARG139 3.5 32.1 1.0 N B:LEU140 3.7 33.8 1.0 CB B:ARG139 3.7 37.7 1.0 O B:LEU140 3.9 33.7 1.0 O B:HOH590 4.0 57.9 1.0 CG B:ARG139 4.0 31.7 1.0 CD B:ARG139 4.1 39.2 1.0 CB B:LEU140 4.3 33.8 1.0 CG B:MET137 4.3 39.4 1.0 CA B:LEU140 4.4 41.8 1.0 CB B:HIS169 4.5 53.3 1.0 C B:LEU140 4.5 26.8 1.0 CG B:ASN132 4.6 39.4 1.0 C B:ARG139 4.6 31.2 1.0 CA B:ARG139 4.7 34.6 1.0 OD1 B:ASN132 4.8 35.1 1.0 CB B:MET137 4.8 40.6 1.0 CG B:LEU140 4.9 32.7 1.0 NH1 B:ARG139 4.9 31.7 1.0 N B:ARG139 5.0 39.6 1.0

N.Bernardo-Garcia, P.A.Sanchez-Murcia, A.Espaillat, S.Martinez-Caballero, F.Cava, J.A.Hermoso, F.Gago. Cold-Induced Aldimine Bond Cleavage By Tris in Bacillus Subtilis Alanine Racemase. Org.Biomol.Chem. V. 17 4350 2019.
ISSN: ESSN 1477-0539
PubMed: 30977502
DOI: 10.1039/C9OB00223E