Chlorine in PDB 4xjv: Crystal Structure of Human Thioesterase 2

All present enzymatic activity of Crystal Structure of Human Thioesterase 2:
3.1.2.14;

The structure of Crystal Structure of Human Thioesterase 2, PDB code: 4xjv was solved by M.K.Ritchie, S.J.Kridel, W.T.Lowther, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.82 / 2.80
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	96.070, 96.070, 159.960, 90.00, 90.00, 90.00
R / Rfree (%)	29.4 / 34.5

The binding sites of Chlorine atom in the Crystal Structure of Human Thioesterase 2 (pdb code 4xjv). 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 Crystal Structure of Human Thioesterase 2, PDB code: 4xjv:

Chlorine binding site 1 out of 1 in the Crystal Structure of Human Thioesterase 2


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 Human Thioesterase 2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:79.1 occ:1.00 HG A:SER101 2.3 0.4 1.0 H A:MET35 2.6 0.4 1.0 H A:MET102 2.6 92.8 1.0 OG A:SER101 2.7 89.5 1.0 HB3 A:SER101 2.9 99.1 1.0 HB3 A:MET35 3.0 0.2 1.0 HB3 A:MET102 3.0 87.0 1.0 HB2 A:MET35 3.0 0.2 1.0 HB2 A:MET102 3.1 87.0 1.0 HB2 A:TRP34 3.2 90.8 1.0 HE1 A:MET35 3.3 0.5 1.0 OE2 A:GLU158 3.3 91.0 1.0 N A:MET35 3.3 84.5 1.0 CB A:SER101 3.4 82.6 1.0 N A:MET102 3.4 77.3 1.0 CB A:MET35 3.4 90.2 1.0 CB A:MET102 3.5 72.5 1.0 HA A:TRP34 3.8 92.6 1.0 HE2 A:MET102 3.8 88.0 1.0 HB2 A:SER101 4.0 99.1 1.0 CA A:MET35 4.0 90.7 1.0 CA A:MET102 4.0 75.5 1.0 CB A:TRP34 4.0 75.6 1.0 CD A:GLU158 4.2 94.1 1.0 CA A:TRP34 4.2 77.2 1.0 HG3 A:GLU158 4.2 0.0 1.0 C A:TRP34 4.2 82.8 1.0 CE A:MET35 4.2 91.3 1.0 HA A:MET102 4.3 90.6 1.0 C A:SER101 4.3 83.0 1.0 CA A:SER101 4.5 84.5 1.0 HB3 A:TRP34 4.5 90.8 1.0 HA A:MET35 4.6 0.8 1.0 HE2 A:MET35 4.6 0.5 1.0 HD1 A:TRP34 4.6 0.9 1.0 CE A:MET102 4.7 73.3 1.0 CG A:GLU158 4.7 90.0 1.0 HE3 A:MET35 4.7 0.5 1.0 CG A:MET35 4.7 96.9 1.0 O A:HIS100 4.8 74.9 1.0 CG A:MET102 4.8 75.0 1.0 HG2 A:GLU158 5.0 0.0 1.0

M.K.Ritchie, L.C.Johnson, J.E.Clodfelter, C.W.Pemble, B.E.Fulp, C.M.Furdui, S.J.Kridel, W.T.Lowther. Crystal Structure and Substrate Specificity of Human Thioesterase 2: Insights Into the Molecular Basis For the Modulation of Fatty Acid Synthase. J.Biol.Chem. V. 291 3520 2016.
ISSN: ESSN 1083-351X
PubMed: 26663084
DOI: 10.1074/JBC.M115.702597