Chlorine in PDB 3qre: Crystal Structure of An Enoyl-Coa Hydratase ECHA12_1 From Mycobacterium Marinum

The structure of Crystal Structure of An Enoyl-Coa Hydratase ECHA12_1 From Mycobacterium Marinum, PDB code: 3qre 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 / 2.40
Space group	P 21 3
Cell size a, b, c (Å), α, β, γ (°)	87.700, 87.700, 87.700, 90.00, 90.00, 90.00
R / Rfree (%)	18 / 22.9

The structure of Crystal Structure of An Enoyl-Coa Hydratase ECHA12_1 From Mycobacterium Marinum also contains other interesting chemical elements:

Potassium

(K)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of An Enoyl-Coa Hydratase ECHA12_1 From Mycobacterium Marinum (pdb code 3qre). 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 An Enoyl-Coa Hydratase ECHA12_1 From Mycobacterium Marinum, PDB code: 3qre:

Chlorine binding site 1 out of 1 in the Crystal Structure of An Enoyl-Coa Hydratase ECHA12_1 From Mycobacterium Marinum


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 An Enoyl-Coa Hydratase ECHA12_1 From Mycobacterium Marinum within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl278 b:66.2 occ:1.00 OG A:SER219 3.7 38.2 1.0 CB A:SER219 4.1 35.5 1.0 OH A:TYR214 4.1 40.0 1.0 CZ A:TYR214 4.3 39.6 1.0 CE2 A:TYR214 4.4 37.1 1.0 SG A:CYS215 4.5 39.3 1.0 O A:TYR214 4.6 39.7 1.0 CA A:CYS215 4.8 39.2 1.0 O A:HOH300 4.8 19.6 1.0 CE1 A:TYR214 5.0 40.5 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