Chlorine in PDB 3sll: Crystal Structure of A Probable Enoyl-Coa Hydratase/Isomerase From Mycobacterium Abscessus

The structure of Crystal Structure of A Probable Enoyl-Coa Hydratase/Isomerase From Mycobacterium Abscessus, PDB code: 3sll 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 / 2.35
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	80.090, 131.650, 148.710, 90.00, 90.00, 90.00
R / Rfree (%)	20.3 / 25.8

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

Chlorine binding site 1 out of 3 in the Crystal Structure of A Probable Enoyl-Coa Hydratase/Isomerase From Mycobacterium Abscessus


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 A Probable Enoyl-Coa Hydratase/Isomerase From Mycobacterium Abscessus within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl271 b:39.9 occ:1.00 N C:SER191 3.4 22.4 1.0 CB C:GLN131 3.6 18.0 1.0 CA C:ALA190 3.7 22.5 1.0 CB C:ALA190 4.0 22.8 1.0 C C:ALA190 4.1 22.5 1.0 CB C:SER191 4.1 23.5 1.0 CG C:GLN131 4.1 20.3 1.0 OG C:SER191 4.3 24.7 1.0 CA C:SER191 4.4 23.2 1.0 OE1 C:GLU192 4.5 30.4 1.0 OD1 C:ASP132 4.5 25.9 1.0 OD2 C:ASP132 4.8 27.3 1.0 CA C:GLN131 4.9 17.2 1.0 CG C:ASP132 4.9 23.6 1.0 N C:ALA190 5.0 21.0 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of A Probable Enoyl-Coa Hydratase/Isomerase From Mycobacterium Abscessus


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 A Probable Enoyl-Coa Hydratase/Isomerase From Mycobacterium Abscessus within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl271 b:57.3 occ:1.00 N E:SER191 3.2 21.4 1.0 CA E:ALA190 3.6 21.1 1.0 CB E:GLN131 3.7 23.0 1.0 CB E:ALA190 3.7 21.0 1.0 OG E:SER191 3.8 21.5 1.0 C E:ALA190 3.9 21.0 1.0 CB E:SER191 3.9 21.4 1.0 OE1 E:GLU192 4.0 31.9 1.0 CA E:SER191 4.2 21.8 1.0 CG E:GLN131 4.2 24.7 1.0 OD1 E:ASP132 4.5 30.9 1.0 CD E:GLU192 4.9 31.6 1.0 CA E:GLN131 4.9 22.4 1.0 N E:ALA190 4.9 20.9 1.0 OE2 E:GLU192 5.0 32.4 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of A Probable Enoyl-Coa Hydratase/Isomerase From Mycobacterium Abscessus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of A Probable Enoyl-Coa Hydratase/Isomerase From Mycobacterium Abscessus within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl271 b:46.8 occ:1.00 N F:SER191 3.2 19.5 1.0 CB F:GLN131 3.5 22.2 1.0 CA F:ALA190 3.5 19.1 1.0 OE2 F:GLU192 3.7 35.2 1.0 OG F:SER191 3.7 22.8 1.0 CB F:ALA190 3.9 18.9 1.0 C F:ALA190 3.9 18.8 1.0 CB F:SER191 4.1 21.1 1.0 CG F:GLN131 4.2 26.1 1.0 CA F:SER191 4.3 21.0 1.0 N F:ALA190 4.6 18.4 1.0 CA F:GLN131 4.7 21.6 1.0 N F:GLN131 4.8 20.5 1.0 CD F:GLU192 4.9 35.7 1.0 O F:VAL189 4.9 18.1 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