Chlorine in PDB 3r3k: Crystal Structure of A Parallel 6-Helix Coiled Coil

The structure of Crystal Structure of A Parallel 6-Helix Coiled Coil, PDB code: 3r3k was solved by N.R.Zaccai, B.H.C.Chi, D.N.Woolfson, R.L.Brady, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.21 / 2.20
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	31.660, 54.480, 128.270, 90.00, 90.00, 90.00
R / Rfree (%)	21.2 / 27.2

The structure of Crystal Structure of A Parallel 6-Helix Coiled Coil also contains other interesting chemical elements:

Iodine	(I)	3 atoms
Sodium	(Na)	4 atoms

The binding sites of Chlorine atom in the Crystal Structure of A Parallel 6-Helix Coiled Coil (pdb code 3r3k). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of A Parallel 6-Helix Coiled Coil, PDB code: 3r3k:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of A Parallel 6-Helix Coiled Coil


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 Parallel 6-Helix Coiled Coil within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl34 b:43.2 occ:1.00 NZ A:LYS25 2.2 27.3 1.0 CE A:LYS25 2.7 28.6 1.0 OE1 A:GLN29 3.1 26.0 1.0 CB A:ALA26 3.9 19.3 1.0 CA A:ALA26 3.9 23.2 1.0 CD A:GLN29 4.0 26.5 1.0 CD A:LYS25 4.1 28.9 1.0 N A:ALA26 4.2 20.6 1.0 CZ A:PHI22 4.2 30.3 1.0 CE1 A:PHI22 4.3 22.7 1.0 NE2 A:GLN29 4.3 29.3 1.0 I A:PHI22 4.4 29.1 1.0 O A:PHI22 4.7 18.7 1.0 CG A:LYS25 4.7 25.5 1.0 C A:LYS25 4.8 21.6 1.0 CE2 A:PHI22 4.9 21.7 1.0 CD1 A:PHI22 4.9 22.0 1.0 O A:LYS25 5.0 21.0 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of A Parallel 6-Helix Coiled Coil


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of A Parallel 6-Helix Coiled Coil within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl37 b:38.3 occ:1.00 O C:PHI22 3.7 19.6 1.0 CG C:LYS25 3.8 29.4 1.0 NA C:NA38 3.9 39.2 1.0 N C:ALA26 3.9 28.5 1.0 CB C:LYS25 4.0 25.5 1.0 CD C:LYS25 4.3 32.3 1.0 CA C:ALA26 4.4 29.8 1.0 OE1 C:GLN29 4.4 42.2 1.0 CD1 C:PHI22 4.4 36.1 1.0 C C:LYS25 4.4 28.1 1.0 CB C:ALA26 4.5 24.6 1.0 C C:PHI22 4.6 20.6 1.0 CA C:PHI22 4.7 21.5 1.0 CA C:LYS25 4.8 24.5 1.0 CB C:PHI22 4.8 24.6 1.0

N.R.Zaccai, B.Chi, A.R.Thomson, A.L.Boyle, G.J.Bartlett, M.Bruning, N.Linden, R.B.Sessions, P.J.Booth, R.L.Brady, D.N.Woolfson. A De Novo Peptide Hexamer with A Mutable Channel. Nat.Chem.Biol. V. 7 935 2011.
ISSN: ISSN 1552-4450
PubMed: 22037471
DOI: 10.1038/NCHEMBIO.692