Chlorine in PDB 3qk8: Crystal Structure of Enoyl-Coa Hydratase ECHA15 From Mycobacterium Marinum in Complex with An Unknown Ligand

The structure of Crystal Structure of Enoyl-Coa Hydratase ECHA15 From Mycobacterium Marinum in Complex with An Unknown Ligand, PDB code: 3qk8 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)	48.88 / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	73.990, 129.530, 78.610, 90.00, 108.57, 90.00
R / Rfree (%)	13.7 / 16.4

The binding sites of Chlorine atom in the Crystal Structure of Enoyl-Coa Hydratase ECHA15 From Mycobacterium Marinum in Complex with An Unknown Ligand (pdb code 3qk8). 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 Enoyl-Coa Hydratase ECHA15 From Mycobacterium Marinum in Complex with An Unknown Ligand, PDB code: 3qk8:

Chlorine binding site 1 out of 1 in the Crystal Structure of Enoyl-Coa Hydratase ECHA15 From Mycobacterium Marinum in Complex with An Unknown Ligand


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 Enoyl-Coa Hydratase ECHA15 From Mycobacterium Marinum in Complex with An Unknown Ligand within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl269 b:22.7 occ:1.00 O E:HOH550 3.2 17.3 1.0 N E:GLY70 3.3 13.2 1.0 N E:ALA117 3.4 11.2 1.0 O E:HOH314 3.6 30.2 1.0 CA E:GLY116 3.7 11.0 1.0 CA E:GLY70 3.9 12.5 1.0 C E:GLY116 4.0 11.3 1.0 CB E:ALA117 4.2 13.0 1.0 NE2 E:HIS140 4.2 11.0 1.0 C E:UNL291 4.2 21.0 1.0 O1 E:UNL291 4.3 19.2 1.0 C E:GLY69 4.3 13.3 1.0 CA E:GLY69 4.3 13.1 1.0 CA E:ALA117 4.4 10.8 1.0 O2 E:UNL291 4.4 15.7 1.0 O E:HOH1133 4.6 28.5 1.0 C1 E:UNL291 4.7 21.6 1.0 OD2 E:ASP149 4.7 10.4 1.0 N E:GLY116 4.8 10.7 1.0 CE1 E:HIS140 4.8 10.5 1.0 CD2 E:HIS140 4.8 11.8 1.0 C2 E:UNL291 4.8 23.1 1.0 O E:GLY70 4.9 13.1 1.0 C E:GLY70 4.9 12.4 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