Chlorine in PDB 6mlk: Structure of Thioesterase From Debs with A Thioesterase-Specific Antibody

All present enzymatic activity of Structure of Thioesterase From Debs with A Thioesterase-Specific Antibody:
2.3.1.94;

The structure of Structure of Thioesterase From Debs with A Thioesterase-Specific Antibody, PDB code: 6mlk was solved by I.I.Mathews, X.Li, C.Khosla, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.43 / 2.45
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	172.580, 172.580, 159.050, 90.00, 90.00, 120.00
R / Rfree (%)	17.5 / 23.5

The binding sites of Chlorine atom in the Structure of Thioesterase From Debs with A Thioesterase-Specific Antibody (pdb code 6mlk). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Structure of Thioesterase From Debs with A Thioesterase-Specific Antibody, PDB code: 6mlk:

Chlorine binding site 1 out of 1 in the Structure of Thioesterase From Debs with A Thioesterase-Specific Antibody


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Thioesterase From Debs with A Thioesterase-Specific Antibody within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl301 b:85.6 occ:1.00 OH H:TYR107 3.3 75.8 1.0 OG L:SER77 3.3 98.2 1.0 OH H:TYR108 3.4 90.4 1.0 CE2 H:TYR107 4.1 74.2 1.0 CZ H:TYR107 4.1 73.6 1.0 CE1 H:TYR108 4.2 74.5 1.0 CZ H:TYR108 4.2 82.7 1.0 CB L:SER77 4.4 80.3 1.0 CA L:SER77 5.0 73.2 1.0

X.Li, N.Sevillano, F.La Greca, J.Hsu, I.I.Mathews, T.Matsui, C.S.Craik, C.Khosla. Discovery and Characterization of A Thioesterase-Specific Monoclonal Antibody That Recognizes the 6-Deoxyerythronolide B Synthase. Biochemistry V. 57 6201 2018.
ISSN: ISSN 1520-4995
PubMed: 30289692
DOI: 10.1021/ACS.BIOCHEM.8B00886