Chlorine in PDB 4fn7: Apo Structure of the Mtb Enoyol Coa Isomerase (RV0632C)

All present enzymatic activity of Apo Structure of the Mtb Enoyol Coa Isomerase (RV0632C):
4.2.1.17;

The structure of Apo Structure of the Mtb Enoyol Coa Isomerase (RV0632C), PDB code: 4fn7 was solved by J.B.Bruning, N.Gao, E.D.Hernandez, H.Li, N.Dang, L.W.Hung, J.C.Sacchettini, Tb Structural Genomics Consortium (Tbsgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.33 / 1.25
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	64.132, 68.681, 75.570, 90.00, 108.57, 90.00
R / Rfree (%)	14.9 / 18.3

The binding sites of Chlorine atom in the Apo Structure of the Mtb Enoyol Coa Isomerase (RV0632C) (pdb code 4fn7). 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 Apo Structure of the Mtb Enoyol Coa Isomerase (RV0632C), PDB code: 4fn7:

Chlorine binding site 1 out of 1 in the Apo Structure of the Mtb Enoyol Coa Isomerase (RV0632C)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Apo Structure of the Mtb Enoyol Coa Isomerase (RV0632C) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:15.2 occ:1.00 NH1 B:ARG151 3.2 23.6 1.0 CD B:ARG151 3.6 21.9 1.0 N A:ARG151 3.7 8.8 1.0 N B:ARG151 3.8 8.0 1.0 CA B:THR150 3.8 9.1 1.0 CA A:THR150 3.8 8.8 1.0 CA C:THR150 3.9 8.7 1.0 N C:ARG151 3.9 8.8 1.0 CB A:THR150 4.2 9.7 1.0 CB B:THR150 4.2 9.8 1.0 CZ B:ARG151 4.2 23.8 1.0 CB C:THR150 4.2 9.5 1.0 CG A:ARG151 4.2 15.7 1.0 C A:THR150 4.2 9.3 1.0 C B:THR150 4.3 7.7 1.0 CD A:ARG151 4.3 20.1 1.0 NE B:ARG151 4.3 23.8 1.0 C C:THR150 4.4 8.7 1.0 CG2 C:THR150 4.4 10.3 1.0 CG C:ARG151 4.4 14.2 1.0 CG2 B:THR150 4.5 10.8 1.0 CG2 A:THR150 4.5 11.1 1.0 CB A:ARG151 4.7 10.6 1.0 NE A:ARG151 4.7 21.3 1.0 CA A:ARG151 4.7 8.1 1.0 CG B:ARG151 4.8 17.8 1.0 O A:LEU149 4.8 10.4 1.0 CB B:ARG151 4.8 10.9 1.0 CA B:ARG151 4.8 8.6 1.0 O B:LEU149 4.9 10.1 1.0 O C:LEU149 4.9 9.4 1.0 N B:THR150 4.9 8.1 1.0 N A:THR150 4.9 8.3 1.0 N C:THR150 4.9 8.5 1.0 O B:HOH408 5.0 9.3 1.0 CB C:ARG151 5.0 10.9 1.0

J.B.Bruning, N.Gao, E.D.Hernandez, H.Li, N.Dang, L.W.Hung, S.Moran, J.C.Sacchettini. "Crystal Structure and Mechanism of the Prokaryotic Enoyl-Coa Isomerase (Eci)" To Be Published.