Chlorine in PDB 1unu: Structure Based Engineering of Internal Molecular Surfaces of Four Helix Bundles

The structure of Structure Based Engineering of Internal Molecular Surfaces of Four Helix Bundles, PDB code: 1unu was solved by M.K.Yadav, J.E.Redman, J.M.Alvarez-Gutierrez, Y.Zhang, C.D.Stout, M.R.Ghadiri, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	55.90 / 2.07
Space group	P 41 3 2
Cell size a, b, c (Å), α, β, γ (°)	78.486, 78.486, 78.486, 90.00, 90.00, 90.00
R / Rfree (%)	22.5 / 27.3

The binding sites of Chlorine atom in the Structure Based Engineering of Internal Molecular Surfaces of Four Helix Bundles (pdb code 1unu). 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 Structure Based Engineering of Internal Molecular Surfaces of Four Helix Bundles, PDB code: 1unu:

Chlorine binding site 1 out of 1 in the Structure Based Engineering of Internal Molecular Surfaces of Four Helix Bundles


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure Based Engineering of Internal Molecular Surfaces of Four Helix Bundles within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1033 b:41.0 occ:1.00 CG A:GLU10 3.7 43.3 1.0 CB A:GLU10 3.9 38.1 1.0 CD2 A:LEU13 4.0 37.1 1.0 CA A:GLU10 4.1 36.3 1.0 OE2 A:GLU10 4.1 55.2 1.0 CD A:GLU10 4.3 50.5 1.0 O A:GLU10 4.9 32.7 1.0 C A:GLU10 5.0 32.1 1.0

M.K.Yadav, J.E.Redman, L.J.Leman, J.M.Alvarez-Gutierrez, Y.Zhang, C.D.Stout, M.R.Ghadiri. Structure-Based Engineering of Internal Cavities in Coiled-Coil Peptides Biochemistry V. 44 9723 2005.
ISSN: ISSN 0006-2960
PubMed: 16008357
DOI: 10.1021/BI050742A