Chlorine in PDB 4hdt: Crystal Structure of A Carnitinyl-Coa Dehydratase From Mycobacterium Thermoresistibile

The structure of Crystal Structure of A Carnitinyl-Coa Dehydratase From Mycobacterium Thermoresistibile, PDB code: 4hdt 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)	45.45 / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	48.200, 62.400, 56.880, 90.00, 109.59, 90.00
R / Rfree (%)	16 / 18.9

The structure of Crystal Structure of A Carnitinyl-Coa Dehydratase From Mycobacterium Thermoresistibile also contains other interesting chemical elements:

Zinc

(Zn)

5 atoms

The binding sites of Chlorine atom in the Crystal Structure of A Carnitinyl-Coa Dehydratase From Mycobacterium Thermoresistibile (pdb code 4hdt). 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 A Carnitinyl-Coa Dehydratase From Mycobacterium Thermoresistibile, PDB code: 4hdt:

Chlorine binding site 1 out of 1 in the Crystal Structure of A Carnitinyl-Coa Dehydratase From Mycobacterium Thermoresistibile


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 Carnitinyl-Coa Dehydratase From Mycobacterium Thermoresistibile within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl405 b:15.8 occ:1.00 ZN A:ZN400 2.3 15.3 1.0 OE2 A:GLU46 3.3 17.5 1.0 NE A:ARG100 3.4 13.3 1.0 OE1 A:GLU348 3.4 21.9 1.0 NE2 A:HIS97 3.5 12.0 1.0 CD2 A:HIS97 3.6 11.4 1.0 CB A:ARG100 3.6 12.3 1.0 OE2 A:GLU348 3.7 23.1 1.0 CD A:GLU348 3.8 23.7 1.0 O A:HOH536 3.9 15.5 1.0 O A:ARG100 3.9 12.2 1.0 CD A:ARG100 4.1 13.1 1.0 CD A:PRO102 4.2 13.8 1.0 NH2 A:ARG100 4.3 13.6 1.0 CZ A:ARG100 4.3 13.4 1.0 C A:ARG100 4.3 11.7 1.0 CD A:GLU46 4.5 18.0 1.0 CG A:ARG100 4.5 12.6 1.0 CA A:ARG100 4.7 11.6 1.0 CA A:TYR101 4.7 12.0 1.0 N A:TYR101 4.8 11.4 1.0 CE1 A:HIS97 4.8 12.2 1.0 OE1 A:GLU46 4.8 18.0 1.0 CG A:GLU348 4.9 26.6 1.0 CG A:HIS97 4.9 10.9 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