Chlorine in PDB 3r9q: Structure of A Probable Enoyl-Coa Hydratase/Isomerase From Mycobacterium Abscessus Atcc 19977 / Dsm 44196

All present enzymatic activity of Structure of A Probable Enoyl-Coa Hydratase/Isomerase From Mycobacterium Abscessus Atcc 19977 / Dsm 44196:
4.2.1.17; 5.3.3.8;

The structure of Structure of A Probable Enoyl-Coa Hydratase/Isomerase From Mycobacterium Abscessus Atcc 19977 / Dsm 44196, PDB code: 3r9q 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)	50.00 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	98.318, 98.213, 103.951, 90.00, 90.00, 90.00
R / Rfree (%)	16.1 / 19

The binding sites of Chlorine atom in the Structure of A Probable Enoyl-Coa Hydratase/Isomerase From Mycobacterium Abscessus Atcc 19977 / Dsm 44196 (pdb code 3r9q). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of A Probable Enoyl-Coa Hydratase/Isomerase From Mycobacterium Abscessus Atcc 19977 / Dsm 44196, PDB code: 3r9q:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of A Probable Enoyl-Coa Hydratase/Isomerase From Mycobacterium Abscessus Atcc 19977 / Dsm 44196


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of A Probable Enoyl-Coa Hydratase/Isomerase From Mycobacterium Abscessus Atcc 19977 / Dsm 44196 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl259 b:31.8 occ:1.00 O A:ILE153 2.8 14.4 1.0 O C:LEU152 2.8 13.5 1.0 N A:ARG157 2.9 15.5 1.0 C A:GLY154 3.2 13.7 1.0 CA A:GLY154 3.2 13.2 1.0 O A:GLY154 3.3 12.8 1.0 CB A:ARG157 3.4 17.4 1.0 N A:SER156 3.5 14.8 1.0 CB A:SER156 3.7 14.8 1.0 C A:ILE153 3.7 13.3 1.0 CA A:ARG157 3.7 16.2 1.0 CD A:ARG157 3.7 26.9 1.0 NE A:ARG157 3.8 31.5 1.0 C A:SER156 3.8 15.3 1.0 CA A:SER156 3.8 14.8 1.0 N A:HIS155 3.9 14.2 1.0 N A:GLY154 3.9 13.0 1.0 O A:HOH324 4.0 23.5 1.0 C C:LEU152 4.1 14.5 1.0 CG A:ARG157 4.1 22.1 1.0 C A:HIS155 4.3 14.7 1.0 N A:ALA158 4.6 13.6 1.0 OG A:SER156 4.6 17.0 1.0 CA A:HIS155 4.7 14.3 1.0 O C:GLY177 4.7 16.9 1.0 CA C:ILE153 4.7 14.4 1.0 C A:ARG157 4.7 15.5 1.0 N C:ILE153 4.9 14.4 1.0 CZ A:ARG157 4.9 29.7 1.0 CA C:GLY177 5.0 16.3 1.0 CA C:LEU152 5.0 14.2 1.0

Chlorine binding site 2 out of 2 in the Structure of A Probable Enoyl-Coa Hydratase/Isomerase From Mycobacterium Abscessus Atcc 19977 / Dsm 44196


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of A Probable Enoyl-Coa Hydratase/Isomerase From Mycobacterium Abscessus Atcc 19977 / Dsm 44196 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl260 b:30.7 occ:1.00 O A:LEU152 2.9 14.6 1.0 O B:ILE153 2.9 14.2 1.0 N B:ARG157 2.9 17.7 1.0 CG B:ARG157 3.2 21.5 0.5 C B:GLY154 3.4 15.8 1.0 CA B:GLY154 3.4 14.9 1.0 CB B:ARG157 3.4 18.7 0.5 CB B:ARG157 3.4 18.9 0.5 O B:GLY154 3.5 14.8 1.0 N B:SER156 3.5 16.6 1.0 CG B:ARG157 3.6 22.3 0.5 NE B:ARG157 3.7 27.6 0.5 CB B:SER156 3.7 17.0 1.0 CA B:ARG157 3.7 18.4 0.5 CA B:ARG157 3.8 18.3 0.5 C B:ILE153 3.8 14.3 1.0 CA B:SER156 3.8 17.1 1.0 C B:SER156 3.8 17.4 1.0 N B:HIS155 4.0 16.1 1.0 N B:GLY154 4.0 14.8 1.0 C A:LEU152 4.1 14.8 1.0 NE B:ARG157 4.1 25.8 0.5 CD B:ARG157 4.2 25.8 0.5 CZ B:ARG157 4.2 27.9 0.5 CD B:ARG157 4.3 24.7 0.5 NH2 B:ARG157 4.3 25.3 0.5 C B:HIS155 4.4 16.5 1.0 O A:GLY177 4.4 14.6 1.0 OG B:SER156 4.5 16.4 1.0 CA A:GLY177 4.6 17.5 1.0 N B:ALA158 4.7 16.5 1.0 CA A:ILE153 4.8 13.1 1.0 C B:ARG157 4.8 17.8 1.0 CA B:HIS155 4.8 16.1 1.0 C A:GLY177 4.9 16.9 1.0 N A:ILE153 4.9 13.1 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