Iodine in PDB 4dzn: A De Novo Designed Coiled Coil Cc-Pil

The structure of A De Novo Designed Coiled Coil Cc-Pil, PDB code: 4dzn was solved by M.Bruning, A.R.Thomson, N.R.Zaccai, R.L.Brady, D.N.Woolfson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.72 / 1.59
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	24.723, 40.943, 87.430, 90.00, 90.00, 90.00
R / Rfree (%)	15.5 / 19.8

The binding sites of Iodine atom in the A De Novo Designed Coiled Coil Cc-Pil (pdb code 4dzn). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 3 binding sites of Iodine where determined in the A De Novo Designed Coiled Coil Cc-Pil, PDB code: 4dzn:
Jump to Iodine binding site number: 1; 2; 3;

Iodine binding site 1 out of 3 in the A De Novo Designed Coiled Coil Cc-Pil


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of A De Novo Designed Coiled Coil Cc-Pil within 5.0Å range: probe atom residue distance (Å) B Occ A:I22 b:25.9 occ:0.50 I A:PHI22 0.0 25.9 0.5 CZ A:PHI22 2.1 19.9 1.0 CE1 A:PHI22 3.0 25.5 1.0 CE2 A:PHI22 3.0 29.9 1.0 CD1 A:PHI22 4.3 18.9 1.0 CD2 A:PHI22 4.3 24.2 1.0 CG A:PHI22 4.8 17.7 1.0

Iodine binding site 2 out of 3 in the A De Novo Designed Coiled Coil Cc-Pil


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of A De Novo Designed Coiled Coil Cc-Pil within 5.0Å range: probe atom residue distance (Å) B Occ B:I22 b:19.8 occ:1.00 I B:PHI22 0.0 19.8 1.0 CZ B:PHI22 2.1 18.0 1.0 CE1 B:PHI22 3.0 20.9 1.0 CE2 B:PHI22 3.0 21.4 1.0 CD1 B:PHI22 4.3 17.9 1.0 CD2 B:PHI22 4.3 14.9 1.0 CG B:PHI22 4.8 12.8 1.0

Iodine binding site 3 out of 3 in the A De Novo Designed Coiled Coil Cc-Pil


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of A De Novo Designed Coiled Coil Cc-Pil within 5.0Å range: probe atom residue distance (Å) B Occ C:I22 b:17.5 occ:0.50 I C:PHI22 0.0 17.5 0.5 CZ C:PHI22 2.1 19.1 1.0 CE1 C:PHI22 3.0 27.7 1.0 CE2 C:PHI22 3.0 25.1 1.0 CD2 C:PHI22 4.4 24.3 1.0 CD1 C:PHI22 4.4 16.0 1.0 CG C:PHI22 4.9 15.7 1.0

J.M.Fletcher, A.L.Boyle, M.Bruning, G.J.Bartlett, T.L.Vincent, N.R.Zaccai, C.T.Armstrong, E.H.Bromley, P.J.Booth, R.L.Brady, A.R.Thomson, D.N.Woolfson. A Basis Set of De Novo Coiled-Coil Peptide Oligomers For Rational Protein Design and Synthetic Biology. Acs Synth Biol V. 1 240 2012.
ISSN: ESSN 2161-5063
PubMed: 23651206
DOI: 10.1021/SB300028Q