Chlorine in PDB 3rd7: Crystal Structure of Acyl-Coa Thioesterase From Mycobacterium Avium

The structure of Crystal Structure of Acyl-Coa Thioesterase From Mycobacterium Avium, PDB code: 3rd7 was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.05 / 1.95
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	57.750, 62.800, 82.220, 90.00, 99.92, 90.00
R / Rfree (%)	16.4 / 19.8

The binding sites of Chlorine atom in the Crystal Structure of Acyl-Coa Thioesterase From Mycobacterium Avium (pdb code 3rd7). 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 Acyl-Coa Thioesterase From Mycobacterium Avium, PDB code: 3rd7:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Acyl-Coa Thioesterase From Mycobacterium Avium


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 Acyl-Coa Thioesterase From Mycobacterium Avium within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl300 b:46.2 occ:1.00 O A:HOH510 3.6 31.7 1.0 O A:MET155 3.7 14.6 1.0 N A:LEU132 3.9 22.5 1.0 O A:HOH419 3.9 28.1 1.0 N A:MET155 4.0 12.8 1.0 N A:GLU133 4.0 23.7 1.0 CG2 A:THR154 4.1 14.6 1.0 O A:HOH305 4.1 18.4 1.0 CA A:GLY131 4.3 22.9 1.0 CB A:GLU133 4.4 25.9 1.0 C A:GLY131 4.4 23.3 1.0 CA A:THR154 4.5 13.6 1.0 CB A:LEU132 4.5 20.5 1.0 C A:MET155 4.6 13.7 1.0 CA A:LEU132 4.6 22.3 1.0 C A:THR154 4.7 13.3 1.0 CA A:MET155 4.8 14.0 1.0 CA A:GLU133 4.8 25.0 1.0 CB A:THR154 4.9 14.4 1.0 C A:LEU132 4.9 23.8 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Acyl-Coa Thioesterase From Mycobacterium Avium


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 Acyl-Coa Thioesterase From Mycobacterium Avium within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:49.0 occ:1.00 OG1 A:THR85 2.9 35.0 1.0 N A:THR85 3.4 30.1 1.0 N A:ILE86 3.4 24.9 1.0 NH2 A:ARG81 3.7 38.8 1.0 N A:GLY84 3.7 31.1 1.0 NH1 A:ARG81 3.8 36.9 1.0 CA A:GLY83 3.8 27.2 1.0 C A:GLY83 4.0 28.7 1.0 CB A:THR85 4.0 30.3 1.0 CA A:THR85 4.0 29.3 1.0 O A:ILE86 4.1 22.0 1.0 C A:THR85 4.2 26.5 1.0 CZ A:ARG81 4.2 37.0 1.0 CA A:ILE86 4.3 23.3 1.0 C A:GLY84 4.4 31.9 1.0 CB A:ILE86 4.4 23.6 1.0 CA A:GLY84 4.5 32.1 1.0 CG1 A:ILE86 4.6 25.3 1.0 CG2 A:THR85 4.6 31.3 1.0 C A:ILE86 4.7 22.4 1.0 O A:GLY83 4.8 28.5 1.0 N A:GLY83 4.9 25.0 1.0

L.Baugh, I.Phan, D.W.Begley, M.C.Clifton, B.Armour, D.M.Dranow, B.M.Taylor, M.M.Muruthi, J.Abendroth, J.W.Fairman, D.Fox, S.H.Dieterich, B.L.Staker, A.S.Gardberg, R.Choi, S.N.Hewitt, A.J.Napuli, J.Myers, L.K.Barrett, Y.Zhang, M.Ferrell, E.Mundt, K.Thompkins, N.Tran, S.Lyons-Abbott, A.Abramov, A.Sekar, D.Serbzhinskiy, D.Lorimer, G.W.Buchko, R.Stacy, L.J.Stewart, T.E.Edwards, W.C.Van Voorhis, P.J.Myler. Increasing the Structural Coverage of Tuberculosis Drug Targets. Tuberculosis (Edinb) V. 95 142 2015.
ISSN: ISSN 1472-9792
PubMed: 25613812
DOI: 10.1016/J.TUBE.2014.12.003