Chlorine in PDB 6oz1: Crystal Structure of the Adenylation (A) Domain of the Carboxylate Reductase (Car) GR01_22995 From Mycobacterium Chelonae

The structure of Crystal Structure of the Adenylation (A) Domain of the Carboxylate Reductase (Car) GR01_22995 From Mycobacterium Chelonae, PDB code: 6oz1 was solved by P.J.Stogios, E.Evdokimova, R.Di Leo, T.Fedorchuk, A.Khusnutdinova, A.F.Yakunin, A.Savchenko, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.91 / 1.97
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	60.325, 90.580, 172.202, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 22.4

The binding sites of Chlorine atom in the Crystal Structure of the Adenylation (A) Domain of the Carboxylate Reductase (Car) GR01_22995 From Mycobacterium Chelonae (pdb code 6oz1). 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 Adenylation (A) Domain of the Carboxylate Reductase (Car) GR01_22995 From Mycobacterium Chelonae, PDB code: 6oz1:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the Adenylation (A) Domain of the Carboxylate Reductase (Car) GR01_22995 From Mycobacterium Chelonae


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 Adenylation (A) Domain of the Carboxylate Reductase (Car) GR01_22995 From Mycobacterium Chelonae within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl709 b:80.4 occ:1.00 O A:HOH1336 3.2 73.7 1.0 NZ A:LYS626 3.4 83.5 1.0 OG A:SER158 3.5 53.4 1.0 O A:HOH896 3.5 48.4 1.0 O A:HOH1288 3.6 75.7 1.0 CB A:SER158 3.7 52.0 1.0 O A:HOH1363 4.0 79.6 1.0 OE1 A:GLN161 4.1 75.9 1.0 O A:HOH816 4.1 65.1 1.0 CE A:LYS626 4.2 80.5 1.0 CD A:GLN161 4.2 69.9 1.0 NE2 A:GLN161 4.2 68.9 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the Adenylation (A) Domain of the Carboxylate Reductase (Car) GR01_22995 From Mycobacterium Chelonae


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 Adenylation (A) Domain of the Carboxylate Reductase (Car) GR01_22995 From Mycobacterium Chelonae within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl710 b:36.7 occ:0.92 O A:HOH1165 3.1 42.0 1.0 N A:ASN372 3.2 34.4 1.0 CB A:SER371 3.6 34.8 1.0 CA A:SER371 3.8 35.5 1.0 CB A:ASN372 3.9 37.6 1.0 OD1 A:ASN372 3.9 40.8 1.0 C A:SER371 4.0 34.4 1.0 CG A:ASN372 4.0 45.1 1.0 CA A:ASN372 4.2 31.8 1.0 OG A:SER371 4.6 33.7 1.0 N A:ALA373 4.8 33.2 1.0 ND2 A:ASN372 4.9 50.9 1.0

T.P.Fedorchuk, A.N.Khusnutdinova, E.Evdokimova, R.Flick, R.Di Leo, P.Stogios, A.Savchenko, A.F.Yakunin. One-Pot Biocatalytic Transformation of Adipic Acid to 6-Aminocaproic Acid and 1,6-Hexamethylenediamine Using Carboxylic Acid Reductases and Transaminases. J.Am.Chem.Soc. V. 142 1038 2020.
ISSN: ESSN 1520-5126
PubMed: 31886667
DOI: 10.1021/JACS.9B11761