Chlorine in PDB 4a6w: X-Ray Structures of Oxazole Hydroxamate Ecmetap-Mn Complexes

All present enzymatic activity of X-Ray Structures of Oxazole Hydroxamate Ecmetap-Mn Complexes:
3.4.11.18;

The structure of X-Ray Structures of Oxazole Hydroxamate Ecmetap-Mn Complexes, PDB code: 4a6w was solved by F.Huguet, A.Melet, R.Alvesdesousa, A.Lieutaud, J.Chevalier, P.Deschamps, A.Tomas, N.Leulliot, J.M.Pages, I.Artaud, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.25 / 1.46
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	39.350, 62.910, 52.600, 90.00, 109.40, 90.00
R / Rfree (%)	15.296 / 22.623

The structure of X-Ray Structures of Oxazole Hydroxamate Ecmetap-Mn Complexes also contains other interesting chemical elements:

Manganese

(Mn)

2 atoms

The binding sites of Chlorine atom in the X-Ray Structures of Oxazole Hydroxamate Ecmetap-Mn Complexes (pdb code 4a6w). 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 X-Ray Structures of Oxazole Hydroxamate Ecmetap-Mn Complexes, PDB code: 4a6w:

Chlorine binding site 1 out of 1 in the X-Ray Structures of Oxazole Hydroxamate Ecmetap-Mn Complexes


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structures of Oxazole Hydroxamate Ecmetap-Mn Complexes within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1265 b:23.2 occ:1.00 CL A:5C11265 0.0 23.2 1.0 CAG A:5C11265 1.7 22.9 1.0 CAH A:5C11265 2.6 20.8 1.0 CAF A:5C11265 2.7 22.1 1.0 OAN A:5C11265 3.0 20.9 1.0 CAD A:5C11265 3.1 21.2 1.0 SG A:CYS59 3.2 23.4 1.0 CB A:CYS59 3.7 15.5 1.0 O A:HOH2194 3.8 25.1 1.0 O A:HOH2217 3.8 29.3 1.0 CAI A:5C11265 3.9 19.5 1.0 CAK A:5C11265 4.0 21.1 1.0 CA A:CYS59 4.0 14.4 1.0 SG A:CYS70 4.0 12.0 1.0 CE2 A:PHE177 4.1 14.2 1.0 CZ A:PHE177 4.1 12.8 1.0 CAA A:5C11265 4.2 21.9 1.0 CAC A:5C11265 4.3 23.9 1.0 CD2 A:TYR62 4.3 23.0 1.0 CAJ A:5C11265 4.5 19.1 1.0 NAI A:5C11265 4.7 24.5 1.0 O A:HOH2303 4.7 54.7 1.0 CG A:TYR62 4.9 18.9 1.0 O A:HOH2195 4.9 39.8 1.0 O A:CYS59 4.9 13.4 1.0 CB A:TYR62 4.9 18.1 1.0 CE2 A:TYR62 4.9 21.1 1.0 C A:CYS59 5.0 14.0 1.0

F.Huguet, A.Melet, R.Alves De Sousa, A.Lieutaud, J.Chevalier, L.Maigre, P.Deschamps, A.Tomas, N.Leulliot, J.M.Pages, I.Artaud. Hydroxamic Acids As Potent Inhibitors of Fe(II) and Mn(II) E. Coli Methionine Aminopeptidase: Biological Activities and X-Ray Structures of Oxazole Hydroxamate-Ecmetap-Mn Complexes. Chemmedchem V. 7 1020 2012.
ISSN: ISSN 1860-7179
PubMed: 22489069
DOI: 10.1002/CMDC.201200076