Chlorine in PDB 4cv1: Crystal Structure of S. Aureus Fabi in Complex with Nadph and CG400549

All present enzymatic activity of Crystal Structure of S. Aureus Fabi in Complex with Nadph and CG400549:
1.3.1.10;

The structure of Crystal Structure of S. Aureus Fabi in Complex with Nadph and CG400549, PDB code: 4cv1 was solved by J.Schiebel, A.Chang, S.Shah, P.J.Tonge, C.Kisker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.56 / 1.95
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	61.897, 108.465, 296.842, 90.00, 90.00, 90.00
R / Rfree (%)	16.805 / 23.083

The binding sites of Chlorine atom in the Crystal Structure of S. Aureus Fabi in Complex with Nadph and CG400549 (pdb code 4cv1). 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 S. Aureus Fabi in Complex with Nadph and CG400549, PDB code: 4cv1:

Chlorine binding site 1 out of 1 in the Crystal Structure of S. Aureus Fabi in Complex with Nadph and CG400549


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 S. Aureus Fabi in Complex with Nadph and CG400549 within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl1357 b:60.1 occ:1.00 NH2 F:ARG43 3.4 69.8 1.0 NH1 F:ARG40 3.6 43.0 1.0 NH2 F:ARG40 3.9 45.1 1.0 CZ F:ARG40 4.3 42.8 1.0 CZ F:ARG43 4.7 69.1 1.0

J.Schiebel, A.Chang, S.Shah, Y.Lu, L.Liu, P.Pan, M.W.Hirschbeck, M.Tareilus, S.Eltschkner, W.Yu, J.E.Cummings, S.E.Knudson, G.R.Bommineni, S.G.Walker, R.A.Slayden, C.A.Sotriffer, P.J.Tonge, C.Kisker. Rational Design of Broad Spectrum Antibacterial Activity Based on A Clinically Relevant Enoyl-Acyl Carrier Protein (Acp) Reductase Inhibitor. J.Biol.Chem. V. 289 15987 2014.
ISSN: ISSN 0021-9258
PubMed: 24739388
DOI: 10.1074/JBC.M113.532804